data Gaildunningite _audit_creation_method SHELXL-97 _chemical_name_systematic ; Mercury nitride chloride bromide ; _chemical_name_common gaildunningite _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Br30 Cl40 Hg148 I10 N72 O2 S2' _chemical_formula_weight 35876.46 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Br' 'Br' -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'I' 'I' -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Hg' 'Hg' -2.3894 9.2266 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, -y, -z' '-x+1/2, y, -z' '-x, -y, z' 'x, y+1/2, z+1/2' 'x+1/2, -y+1/2, -z+1/2' '-x+1/2, y+1/2, -z+1/2' '-x, -y+1/2, z+1/2' '-x, -y, -z' '-x-1/2, y, z' 'x-1/2, -y, z' 'x, y, -z' '-x, -y+1/2, -z+1/2' '-x-1/2, y+1/2, z+1/2' 'x-1/2, -y+1/2, z+1/2' 'x, y+1/2, -z+1/2' _cell_length_a 26.381(6) _cell_length_b 45.590(10) _cell_length_c 6.6840(15) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 8039(3) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 4049 _cell_measurement_theta_min 2 _cell_measurement_theta_max 30 _exptl_crystal_description ? _exptl_crystal_colour Very pale yellow _exptl_crystal_size_max 90 microns _exptl_crystal_size_mid 4 microns _exptl_crystal_size_min 4 microns _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 7.411 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 14652 _exptl_absorpt_coefficient_mu 75.390 _exptl_absorpt_correction_type SADABS _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 46798 _diffrn_reflns_av_R_equivalents 0.0242 _diffrn_reflns_av_sigmaI/netI 0.0131 _diffrn_reflns_limit_h_min -37 _diffrn_reflns_limit_h_max 37 _diffrn_reflns_limit_k_min -64 _diffrn_reflns_limit_k_max 64 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_limit_l_max 9 _diffrn_reflns_theta_min 1.95 _diffrn_reflns_theta_max 30.07 _reflns_number_total 6498 _reflns_number_gt 5884 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0239P)^2^+289.3424P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6498 _refine_ls_number_parameters 343 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0282 _refine_ls_R_factor_gt 0.0241 _refine_ls_wR_factor_ref 0.0588 _refine_ls_wR_factor_gt 0.0572 _refine_ls_goodness_of_fit_ref 1.119 _refine_ls_restrained_S_all 1.119 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Hg1 Hg 0.688284(16) 0.074770(9) 0.0000 0.02255(8) Uani 1 2 d S . . Hg2 Hg 0.2500 0.161275(13) 0.5000 0.02059(11) Uani 1 4 d S . . Hg3 Hg 0.460681(15) 0.195227(9) 0.0000 0.02212(8) Uani 1 2 d S . . Hg4 Hg 0.2500 0.007497(13) 0.5000 0.02088(11) Uani 1 4 d S . . Hg5 Hg 0.315926(15) 0.318907(9) 0.0000 0.02025(8) Uani 1 2 d S . . Hg6 Hg 0.364493(16) 0.046293(9) 0.5000 0.02097(8) Uani 1 2 d S . . Hg7 Hg 0.364915(16) 0.123119(9) 0.5000 0.02092(8) Uani 1 2 d S . . Hg8 Hg 0.520663(16) 0.132936(9) 0.0000 0.02226(8) Uani 1 2 d S . . Hg9 Hg 0.380083(15) 0.251996(8) 0.0000 0.01995(8) Uani 1 2 d S . . Hg10 Hg 0.453375(11) 0.084570(6) 0.25021(4) 0.02200(6) Uani 1 1 d . . . Hg11 Hg 0.562839(15) 0.063116(9) 0.0000 0.02248(8) Uani 1 2 d S . . Hg12 Hg 0.7500 0.129754(9) 0.24994(6) 0.02186(8) Uani 1 2 d S . . Hg13 Hg 0.354451(11) 0.186549(6) 0.25078(4) 0.02058(6) Uani 1 1 d . . . Hg14 Hg 0.647986(11) 0.017441(6) 0.25034(4) 0.02252(6) Uani 1 1 d . . . Hg15 Hg 0.574503(11) 0.190288(6) 0.24970(4) 0.02098(6) Uani 1 1 d . . . N1 N 0.6323(3) 0.04303(16) 0.0000 0.0116(14) Uani 1 2 d S . . N2 N 0.2500 0.3432(3) 0.0000 0.023(3) Uani 1 4 d S . . N3 N 0.7500 0.1031(3) 0.0000 0.021(3) Uani 1 4 d S . . N4 N 0.4066(3) 0.0850(2) 0.5000 0.0209(18) Uani 1 2 d S . . N5 N 0.3842(3) 0.29739(17) 0.0000 0.0155(16) Uani 1 2 d S . . N6 N 0.3286(3) 0.1637(2) 0.5000 0.0204(17) Uani 1 2 d S . . N7 N 0.3289(3) 0.00560(19) 0.5000 0.0196(17) Uani 1 2 d S . . N8 N 0.4995(4) 0.0890(2) 0.0000 0.0218(18) Uani 1 2 d S . . N9 N 0.3852(3) 0.20701(18) 0.0000 0.0172(16) Uani 1 2 d S . . N10 N 0.5334(4) 0.1781(2) 0.0000 0.0224(18) Uani 1 2 d S . . Hg16 Hg 0.5000 0.0000 0.5000 0.0445(3) Uani 0.926(4) 4 d SP . . I1 I 0.4480(2) 0.01850(13) 0.1579(11) 0.054(2) Uiso 0.140(4) 1 d P . . Cl1 Cl 0.4445(6) 0.0189(3) 0.305(3) 0.088(6) Uiso 0.313(16) 1 d P . . Hg17 Hg 0.2500 0.08749(3) 0.0573(2) 0.0485(5) Uani 0.496(2) 2 d SP . . I2 I 0.2500 0.14776(3) 0.0000 0.0297(4) Uani 0.960(6) 4 d SP . . I3 I 0.33725(4) 0.05685(2) 0.0000 0.0334(3) Uani 0.947(4) 2 d SP . . I4 I 0.2500 0.08671(3) 0.5000 0.0333(5) Uani 0.789(6) 4 d SP . . 18A Hg 0.2500 0.2747(4) 0.5000 0.052(5) Uani 0.20(2) 4 d SP . . 18B Hg 0.2500 0.2546(7) 0.427(3) 0.065(8) Uani 0.11(2) 2 d SP . . 18C Hg 0.2665(6) 0.2643(6) 0.437(3) 0.065(6) Uani 0.109(13) 1 d P . . Hg19 Hg 0.60467(10) 0.10374(6) 0.4477(4) 0.0513(11) Uani 0.1647(18) 1 d P . . X1 Cl 0.4607(12) 0.1845(9) 0.5000 0.107(16) Uani 0.29(3) 2 d SP . . X2 Cl 0.2500 0.2210(4) 0.320(5) 0.099(10) Uani 0.302(19) 2 d SP . . X3 I 0.47502(6) 0.15995(6) 0.5000 0.0425(8) Uani 0.598(7) 2 d SP . . X4 I 0.7500 0.06580(5) 0.5000 0.0431(11) Uani 0.478(6) 4 d SP . . X5 I 0.55993(11) 0.06039(7) 0.5000 0.0632(11) Uani 0.466(5) 2 d SP . . X6 Cl 0.7500 0.01393(11) 0.0000 0.0421(16) Uani 1.10(2) 4 d SP . . X7 Cl 0.39807(13) 0.13421(7) 0.0000 0.0404(11) Uani 1.009(15) 2 d SP . . X8 Cl 0.2500 0.24702(12) 0.1256(12) 0.077(2) Uani 1.16(3) 2 d SP . . X9 Cl 0.2500 0.2443(3) 0.0000 0.044(4) Uiso 0.53(4) 4 d SP . . X10 Cl 0.3648(4) 0.25082(15) 0.5000 0.132(4) Uani 1.13(2) 2 d SP . . X11 Cl 0.2986(7) 0.3062(3) 0.5000 0.090(5) Uani 0.61(5) 2 d SP . . X12 Cl 0.4734(2) 0.24104(12) 0.4022(8) 0.0370(17) Uani 0.461(11) 1 d P . . X13 Cl 0.3175(15) 0.3204(13) 0.5000 0.20(2) Uani 0.61(5) 2 d SP . . X14 Cl 0.6277(2) 0.12711(16) 0.2303(17) 0.135(5) Uani 0.757(16) 1 d P . . X15 Cl 0.5000 0.2500 0.2500 0.110(6) Uani 0.64(2) 2 d SP . . X16 Cl 0.6936(6) 0.0725(2) 0.5000 0.065(5) Uani 0.401(18) 2 d SP . . X17 Cl 0.5106(8) 0.1372(5) 0.5000 0.076(8) Uani 0.31(2) 2 d SP . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Hg1 0.02016(18) 0.02059(18) 0.0269(2) 0.000 0.000 -0.00230(14) Hg2 0.0147(2) 0.0251(3) 0.0219(3) 0.000 0.000 0.000 Hg3 0.01715(17) 0.02425(19) 0.0250(2) 0.000 0.000 0.00130(14) Hg4 0.0160(2) 0.0208(3) 0.0259(3) 0.000 0.000 0.000 Hg5 0.01715(17) 0.02018(18) 0.02342(19) 0.000 0.000 0.00222(14) Hg6 0.02098(18) 0.01755(17) 0.02437(19) 0.000 0.000 -0.00379(14) Hg7 0.02024(18) 0.01845(18) 0.02405(19) 0.000 0.000 0.00134(14) Hg8 0.02184(18) 0.01913(18) 0.0258(2) 0.000 0.000 -0.00156(15) Hg9 0.02075(18) 0.01506(16) 0.02404(19) 0.000 0.000 0.00002(13) Hg10 0.02015(13) 0.02386(13) 0.02198(14) -0.00012(10) 0.00318(10) -0.00089(10) Hg11 0.01673(17) 0.02133(18) 0.0294(2) 0.000 0.000 0.00384(14) Hg12 0.02315(18) 0.02121(18) 0.02122(19) -0.00285(14) 0.000 0.000 Hg13 0.02076(13) 0.02199(13) 0.01898(13) 0.00203(10) 0.00159(10) -0.00105(10) Hg14 0.02300(13) 0.02089(13) 0.02367(14) 0.00306(10) -0.00184(11) 0.00106(10) Hg15 0.02028(13) 0.02272(13) 0.01993(13) -0.00126(10) -0.00243(10) -0.00141(10) N1 0.010(3) 0.006(3) 0.019(4) 0.000 0.000 0.005(3) N2 0.014(6) 0.025(6) 0.029(7) 0.000 0.000 0.000 N3 0.021(6) 0.023(6) 0.020(6) 0.000 0.000 0.000 N4 0.020(4) 0.020(4) 0.023(4) 0.000 0.000 -0.002(3) N5 0.023(4) 0.006(3) 0.017(4) 0.000 0.000 -0.005(3) N6 0.018(4) 0.022(4) 0.021(4) 0.000 0.000 0.003(3) N7 0.021(4) 0.016(4) 0.022(4) 0.000 0.000 -0.002(3) N8 0.021(4) 0.024(4) 0.021(4) 0.000 0.000 0.006(3) N9 0.020(4) 0.013(4) 0.019(4) 0.000 0.000 0.001(3) N10 0.023(4) 0.022(4) 0.022(4) 0.000 0.000 -0.006(4) Hg16 0.0340(5) 0.0533(6) 0.0461(5) 0.000 0.000 0.0144(4) Hg17 0.0339(5) 0.0385(6) 0.0730(13) -0.0014(5) 0.000 0.000 I2 0.0299(6) 0.0350(7) 0.0242(6) 0.000 0.000 0.000 I3 0.0313(5) 0.0357(5) 0.0333(5) 0.000 0.000 0.0011(3) I4 0.0306(8) 0.0336(8) 0.0357(9) 0.000 0.000 0.000 18A 0.058(9) 0.054(6) 0.044(5) 0.000 0.000 0.000 18B 0.110(19) 0.035(8) 0.050(6) -0.008(4) 0.000 0.000 18C 0.055(5) 0.060(11) 0.078(7) 0.026(6) 0.019(4) 0.003(5) Hg19 0.0445(14) 0.0480(15) 0.062(3) -0.0114(11) -0.0052(11) -0.0005(10) X1 0.12(2) 0.15(4) 0.060(13) 0.000 0.000 -0.09(2) X2 0.062(11) 0.056(11) 0.18(3) -0.014(14) 0.000 0.000 X3 0.0344(9) 0.0639(17) 0.0292(8) 0.000 0.000 -0.0248(8) X4 0.081(3) 0.0202(12) 0.0280(14) 0.000 0.000 0.000 X5 0.0644(18) 0.086(2) 0.0393(14) 0.000 0.000 0.0238(15) X6 0.0184(19) 0.045(3) 0.062(3) 0.000 0.000 0.000 X7 0.0351(18) 0.0230(15) 0.063(2) 0.000 0.000 0.0086(12) X8 0.0238(17) 0.101(4) 0.106(6) -0.024(3) 0.000 0.000 X10 0.264(12) 0.096(5) 0.037(3) 0.000 0.000 -0.083(6) X11 0.174(15) 0.070(6) 0.026(4) 0.000 0.000 -0.050(9) X12 0.035(3) 0.051(3) 0.026(3) 0.002(2) 0.0059(19) -0.008(2) X13 0.17(2) 0.37(5) 0.057(8) 0.000 0.000 0.21(3) X14 0.061(4) 0.096(5) 0.248(12) 0.028(6) 0.015(5) 0.029(3) X15 0.119(10) 0.067(6) 0.143(13) -0.054(7) 0.011(8) -0.005(6) X16 0.094(11) 0.038(6) 0.062(8) 0.000 0.000 -0.005(6) X17 0.086(14) 0.093(15) 0.050(9) 0.000 0.000 -0.039(12) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Hg1 N1 2.068(8) . ? Hg1 N3 2.077(8) . ? Hg1 Hg1 3.2562(11) 10_755 ? Hg1 Hg14 3.2804(7) 12 ? Hg1 Hg14 3.2804(7) . ? Hg1 Hg11 3.3517(10) . ? Hg1 Hg12 3.4242(7) 3_655 ? Hg1 Hg12 3.4242(7) . ? Hg1 Hg19 3.945(3) 12 ? Hg1 Hg19 3.945(3) . ? Hg2 N6 2.077(9) 10_655 ? Hg2 N6 2.077(9) . ? Hg2 X2 2.98(2) 3_556 ? Hg2 X2 2.98(2) . ? Hg2 Hg13 3.4198(6) . ? Hg2 Hg13 3.4199(6) 12_556 ? Hg2 Hg13 3.4199(6) 10_655 ? Hg2 Hg13 3.4199(6) 3_556 ? Hg2 Hg7 3.4952(8) . ? Hg2 Hg7 3.4953(8) 10_655 ? Hg3 N9 2.062(9) . ? Hg3 N10 2.071(10) . ? Hg3 Hg8 3.2509(8) . ? Hg3 Hg13 3.2893(7) 12 ? Hg3 Hg13 3.2894(7) . ? Hg3 Hg9 3.3495(8) . ? Hg3 Hg15 3.4428(8) 12 ? Hg3 Hg15 3.4428(8) . ? Hg4 N7 2.083(9) . ? Hg4 N7 2.083(9) 10_655 ? Hg4 Hg14 3.3645(6) 11 ? Hg4 Hg14 3.3645(6) 9_656 ? Hg4 Hg14 3.3645(6) 2_456 ? Hg4 Hg14 3.3645(6) 4_655 ? Hg5 N5 2.051(9) . ? Hg5 N2 2.063(8) . ? Hg5 Hg12 3.3610(7) 13_655 ? Hg5 Hg12 3.3610(7) 15_554 ? Hg5 Hg15 3.3660(7) 13_655 ? Hg5 Hg15 3.3660(8) 8_654 ? Hg5 Hg5 3.4784(11) 10_655 ? Hg5 Hg9 3.4886(8) . ? Hg6 N7 2.079(9) . ? Hg6 N4 2.084(9) . ? Hg6 Cl1 2.776(16) 12_556 ? Hg6 Cl1 2.776(16) . ? Hg6 Hg10 3.3662(6) . ? Hg6 Hg10 3.3662(6) 12_556 ? Hg6 Hg14 3.3668(7) 4_655 ? Hg6 Hg14 3.3668(7) 9_656 ? Hg6 Hg16 4.1513(8) . ? Hg7 N4 2.059(9) . ? Hg7 N6 2.084(9) . ? Hg7 Hg13 3.3485(7) 12_556 ? Hg7 Hg13 3.3486(7) . ? Hg7 Hg10 3.3648(6) 12_556 ? Hg7 Hg10 3.3649(6) . ? Hg8 N8 2.080(10) . ? Hg8 N10 2.085(9) . ? Hg8 Hg10 3.2878(6) 12 ? Hg8 Hg10 3.2878(6) . ? Hg8 Hg11 3.3719(9) . ? Hg8 Hg15 3.4116(7) 12 ? Hg8 Hg15 3.4117(7) . ? Hg8 Hg19 3.954(3) . ? Hg8 Hg19 3.954(3) 12 ? Hg9 N9 2.055(8) . ? Hg9 N5 2.072(8) . ? Hg9 Hg15 3.3405(7) 13_655 ? Hg9 Hg15 3.3405(7) 8_654 ? Hg9 Hg13 3.4885(7) . ? Hg9 Hg13 3.4886(7) 12 ? Hg10 N4 2.076(5) . ? Hg10 N8 2.078(6) . ? Hg10 I1 3.078(6) . ? Hg10 Hg10 3.3393(10) 12_556 ? Hg10 Hg10 3.3447(10) 12 ? Hg10 Hg11 3.4775(7) . ? Hg11 N8 2.046(9) . ? Hg11 N1 2.048(7) . ? Hg11 Hg10 3.4774(7) 12 ? Hg11 Hg14 3.4902(7) . ? Hg11 Hg14 3.4902(6) 12 ? Hg11 Hg19 3.688(3) 12 ? Hg11 Hg19 3.688(3) . ? Hg12 N3 2.067(8) . ? Hg12 N2 2.076(8) 13_655 ? Hg12 Hg12 3.3412(11) 3_655 ? Hg12 Hg12 3.3428(11) 3_656 ? Hg12 Hg5 3.3609(7) 6 ? Hg12 Hg5 3.3609(7) 13_655 ? Hg12 Hg1 3.4243(7) 10_755 ? Hg13 N6 2.079(6) . ? Hg13 N9 2.083(5) . ? Hg13 Hg13 3.3316(9) 12_556 ? Hg13 Hg13 3.3524(9) 12 ? Hg14 N7 2.064(5) 9_656 ? Hg14 N1 2.082(4) . ? Hg14 Cl1 2.974(16) 4_655 ? Hg14 I1 3.078(6) 4_655 ? Hg14 Hg14 3.3374(10) 12_556 ? Hg14 Hg14 3.3466(10) 12 ? Hg14 Hg4 3.3646(6) 9_656 ? Hg14 Hg6 3.3669(7) 9_656 ? Hg15 N10 2.067(5) . ? Hg15 N5 2.074(5) 13_655 ? Hg15 Hg15 3.3380(9) 12 ? Hg15 Hg9 3.3402(7) 13_655 ? Hg15 Hg15 3.3460(9) 12_556 ? Hg15 Hg5 3.3660(7) 13_655 ? N1 Hg14 2.082(4) 12 ? N2 Hg5 2.063(8) 10_655 ? N2 Hg12 2.076(8) 13_655 ? N2 Hg12 2.076(8) 15_554 ? N3 Hg12 2.067(8) 3_655 ? N3 Hg1 2.077(8) 10_755 ? N4 Hg10 2.076(5) 12_556 ? N5 Hg15 2.074(5) 13_655 ? N5 Hg15 2.074(5) 8_654 ? N6 Hg13 2.079(6) 12_556 ? N7 Hg14 2.064(5) 4_655 ? N7 Hg14 2.064(5) 9_656 ? N8 Hg10 2.078(6) 12 ? N9 Hg13 2.083(5) 12 ? N10 Hg15 2.067(5) 12 ? Hg16 Cl1 2.141(17) . ? Hg16 Cl1 2.141(17) 9_656 ? Hg16 Cl1 2.141(17) 12_556 ? Hg16 Cl1 2.141(17) 4_655 ? Hg16 I1 2.797(7) . ? Hg16 I1 2.797(7) 9_656 ? Hg16 I1 2.797(7) 12_556 ? Hg16 I1 2.797(7) 4_655 ? Hg16 X5 3.175(4) . ? Hg16 X5 3.175(4) 9_656 ? Hg16 Hg6 4.1513(9) 9_656 ? I1 Cl1 0.989(17) . ? I1 I1 2.111(14) 12 ? I1 Hg14 3.078(6) 4_655 ? Cl1 Hg14 2.974(16) 4_655 ? Hg17 Hg17 0.766(3) 3 ? Hg17 I3 2.7195(12) . ? Hg17 I3 2.7196(12) 10_655 ? Hg17 I2 2.7743(18) . ? Hg17 I4 2.9593(16) . ? Hg17 I4 3.7251(16) 1_554 ? I2 Hg17 2.7742(18) 3 ? I3 Hg17 2.7196(12) 3 ? I4 Hg17 2.9593(16) 3_556 ? I4 Hg17 3.7251(16) 1_556 ? I4 Hg17 3.7251(16) 3 ? 18A 18C 0.769(19) 10_655 ? 18A 18C 0.769(19) 3_556 ? 18A 18C 0.769(19) 12_556 ? 18A 18C 0.769(19) . ? 18A 18B 1.04(3) . ? 18A 18B 1.04(3) 3_556 ? 18A X11 1.925(16) 10_655 ? 18A X11 1.925(17) . ? 18A X2 2.73(3) . ? 18A X2 2.73(3) 3_556 ? 18A X13 2.74(7) 10_655 ? 18A X13 2.74(7) . ? 18B 18C 0.625(13) 10_655 ? 18B 18C 0.625(13) . ? 18B 18B 0.98(4) 3_556 ? 18B 18C 1.101(13) 12_556 ? 18B 18C 1.101(13) 3_556 ? 18B X2 1.69(3) . ? 18B X8 2.04(2) . ? 18B X2 2.28(4) 3_556 ? 18B X11 2.73(3) 10_655 ? 18B X11 2.73(3) . ? 18B X9 2.889(18) . ? 18C 18C 0.84(4) 12_556 ? 18C 18C 0.87(3) 10_655 ? 18C 18B 1.101(13) 3_556 ? 18C 18C 1.21(3) 3_556 ? 18C X11 2.13(3) . ? 18C X2 2.17(4) . ? 18C X8 2.27(3) . ? 18C X2 2.59(3) 3_556 ? 18C X11 2.60(2) 10_655 ? 18C X10 2.699(18) . ? Hg19 Hg19 0.700(6) 12_556 ? Hg19 X14 1.901(10) . ? Hg19 X5 2.328(4) . ? Hg19 X14 2.477(11) 12_556 ? Hg19 X16 2.767(15) . ? Hg19 X17 2.93(2) . ? X1 X3 1.18(5) . ? X2 X8 1.76(3) . ? X2 18C 2.17(4) 10_655 ? X2 18B 2.28(4) 3_556 ? X2 X9 2.39(3) . ? X2 X2 2.41(7) 3_556 ? X2 18C 2.59(3) 12_556 ? X2 18C 2.59(3) 3_556 ? X3 X17 1.40(2) . ? X4 X16 1.519(15) . ? X4 X16 1.519(15) 10_755 ? X5 Hg19 2.328(4) 12_556 ? X8 X9 0.849(8) . ? X8 X8 1.680(16) 3 ? X8 18C 2.27(3) 10_655 ? X9 X8 0.849(8) 3 ? X9 X2 2.39(3) 3 ? X9 18B 2.889(18) 3 ? X10 18C 2.699(18) 12_556 ? X11 X13 0.81(7) . ? X11 18C 2.13(3) 12_556 ? X11 18C 2.60(2) 10_655 ? X11 18C 2.60(2) 3_556 ? X11 18B 2.73(3) 3_556 ? X12 X15 1.301(5) . ? X12 X12 1.307(10) 12_556 ? X12 X15 2.462(5) 8_655 ? X13 18C 2.92(8) 12_556 ? X14 Hg19 2.478(11) 12_556 ? X15 X12 1.301(5) 13_655 ? X15 X12 2.462(5) 12_556 ? X15 X12 2.462(5) 8_654 ? X16 Hg19 2.767(15) 12_556 ? X17 Hg19 2.93(2) 12_556 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 Hg1 N3 174.0(4) . . ? N1 Hg1 Hg1 135.6(2) . 10_755 ? N3 Hg1 Hg1 38.4(3) . 10_755 ? N1 Hg1 Hg14 37.91(11) . 12 ? N3 Hg1 Hg14 138.48(19) . 12 ? Hg1 Hg1 Hg14 108.908(10) 10_755 12 ? N1 Hg1 Hg14 37.91(11) . . ? N3 Hg1 Hg14 138.48(19) . . ? Hg1 Hg1 Hg14 108.908(10) 10_755 . ? Hg14 Hg1 Hg14 61.34(2) 12 . ? N1 Hg1 Hg11 35.3(2) . . ? N3 Hg1 Hg11 150.7(3) . . ? Hg1 Hg1 Hg11 170.878(10) 10_755 . ? Hg14 Hg1 Hg11 63.496(11) 12 . ? Hg14 Hg1 Hg11 63.495(11) . . ? N1 Hg1 Hg12 148.42(7) . 3_655 ? N3 Hg1 Hg12 34.18(14) . 3_655 ? Hg1 Hg1 Hg12 61.611(10) 10_755 3_655 ? Hg14 Hg1 Hg12 119.241(17) 12 3_655 ? Hg14 Hg1 Hg12 170.470(16) . 3_655 ? Hg11 Hg1 Hg12 125.839(13) . 3_655 ? N1 Hg1 Hg12 148.42(7) . . ? N3 Hg1 Hg12 34.18(14) . . ? Hg1 Hg1 Hg12 61.611(10) 10_755 . ? Hg14 Hg1 Hg12 170.470(15) 12 . ? Hg14 Hg1 Hg12 119.241(17) . . ? Hg11 Hg1 Hg12 125.839(13) . . ? Hg12 Hg1 Hg12 58.40(2) 3_655 . ? N1 Hg1 Hg19 80.48(13) . 12 ? N3 Hg1 Hg19 103.33(19) . 12 ? Hg1 Hg1 Hg19 124.00(4) 10_755 12 ? Hg14 Hg1 Hg19 72.46(4) 12 12 ? Hg14 Hg1 Hg19 118.19(4) . 12 ? Hg11 Hg1 Hg19 60.06(4) . 12 ? Hg12 Hg1 Hg19 69.56(4) 3_655 12 ? Hg12 Hg1 Hg19 113.01(4) . 12 ? N1 Hg1 Hg19 80.48(13) . . ? N3 Hg1 Hg19 103.32(19) . . ? Hg1 Hg1 Hg19 124.00(4) 10_755 . ? Hg14 Hg1 Hg19 118.19(4) 12 . ? Hg14 Hg1 Hg19 72.46(4) . . ? Hg11 Hg1 Hg19 60.06(4) . . ? Hg12 Hg1 Hg19 113.01(4) 3_655 . ? Hg12 Hg1 Hg19 69.56(4) . . ? Hg19 Hg1 Hg19 98.66(8) 12 . ? N6 Hg2 N6 173.9(5) 10_655 . ? N6 Hg2 X2 87.2(2) 10_655 3_556 ? N6 Hg2 X2 87.2(2) . 3_556 ? N6 Hg2 X2 87.2(2) 10_655 . ? N6 Hg2 X2 87.2(2) . . ? X2 Hg2 X2 47.7(12) 3_556 . ? N6 Hg2 Hg13 141.87(16) 10_655 . ? N6 Hg2 Hg13 34.65(13) . . ? X2 Hg2 Hg13 83.6(3) 3_556 . ? X2 Hg2 Hg13 59.7(2) . . ? N6 Hg2 Hg13 141.87(16) 10_655 12_556 ? N6 Hg2 Hg13 34.65(13) . 12_556 ? X2 Hg2 Hg13 59.7(2) 3_556 12_556 ? X2 Hg2 Hg13 83.6(3) . 12_556 ? Hg13 Hg2 Hg13 58.300(18) . 12_556 ? N6 Hg2 Hg13 34.65(13) 10_655 10_655 ? N6 Hg2 Hg13 141.87(16) . 10_655 ? X2 Hg2 Hg13 83.6(3) 3_556 10_655 ? X2 Hg2 Hg13 59.7(2) . 10_655 ? Hg13 Hg2 Hg13 107.37(2) . 10_655 ? Hg13 Hg2 Hg13 140.63(2) 12_556 10_655 ? N6 Hg2 Hg13 34.65(13) 10_655 3_556 ? N6 Hg2 Hg13 141.87(16) . 3_556 ? X2 Hg2 Hg13 59.7(2) 3_556 3_556 ? X2 Hg2 Hg13 83.6(3) . 3_556 ? Hg13 Hg2 Hg13 140.62(2) . 3_556 ? Hg13 Hg2 Hg13 107.37(2) 12_556 3_556 ? Hg13 Hg2 Hg13 58.300(17) 10_655 3_556 ? N6 Hg2 Hg7 153.2(3) 10_655 . ? N6 Hg2 Hg7 32.9(3) . . ? X2 Hg2 Hg7 117.08(14) 3_556 . ? X2 Hg2 Hg7 117.08(13) . . ? Hg13 Hg2 Hg7 57.915(15) . . ? Hg13 Hg2 Hg7 57.913(15) 12_556 . ? Hg13 Hg2 Hg7 150.059(11) 10_655 . ? Hg13 Hg2 Hg7 150.059(11) 3_556 . ? N6 Hg2 Hg7 32.9(3) 10_655 10_655 ? N6 Hg2 Hg7 153.2(3) . 10_655 ? X2 Hg2 Hg7 117.08(13) 3_556 10_655 ? X2 Hg2 Hg7 117.08(13) . 10_655 ? Hg13 Hg2 Hg7 150.059(11) . 10_655 ? Hg13 Hg2 Hg7 150.059(11) 12_556 10_655 ? Hg13 Hg2 Hg7 57.915(15) 10_655 10_655 ? Hg13 Hg2 Hg7 57.915(15) 3_556 10_655 ? Hg7 Hg2 Hg7 120.30(3) . 10_655 ? N9 Hg3 N10 172.9(3) . . ? N9 Hg3 Hg8 134.2(2) . . ? N10 Hg3 Hg8 38.7(3) . . ? N9 Hg3 Hg13 37.71(13) . 12 ? N10 Hg3 Hg13 138.03(17) . 12 ? Hg8 Hg3 Hg13 108.034(17) . 12 ? N9 Hg3 Hg13 37.70(13) . . ? N10 Hg3 Hg13 138.04(17) . . ? Hg8 Hg3 Hg13 108.037(16) . . ? Hg13 Hg3 Hg13 61.27(2) 12 . ? N9 Hg3 Hg9 35.5(2) . . ? N10 Hg3 Hg9 151.6(3) . . ? Hg8 Hg3 Hg9 169.722(18) . . ? Hg13 Hg3 Hg9 63.394(15) 12 . ? Hg13 Hg3 Hg9 63.391(15) . . ? N9 Hg3 Hg15 149.22(8) . 12 ? N10 Hg3 Hg15 33.66(12) . 12 ? Hg8 Hg3 Hg15 61.204(13) . 12 ? Hg13 Hg3 Hg15 119.219(18) 12 12 ? Hg13 Hg3 Hg15 169.187(16) . 12 ? Hg9 Hg3 Hg15 127.173(15) . 12 ? N9 Hg3 Hg15 149.21(8) . . ? N10 Hg3 Hg15 33.66(12) . . ? Hg8 Hg3 Hg15 61.206(13) . . ? Hg13 Hg3 Hg15 169.187(16) 12 . ? Hg13 Hg3 Hg15 119.221(17) . . ? Hg9 Hg3 Hg15 127.170(15) . . ? Hg15 Hg3 Hg15 58.00(2) 12 . ? N7 Hg4 N7 175.2(5) . 10_655 ? N7 Hg4 Hg14 141.73(14) . 11 ? N7 Hg4 Hg14 35.59(13) 10_655 11 ? N7 Hg4 Hg14 35.59(13) . 9_656 ? N7 Hg4 Hg14 141.74(15) 10_655 9_656 ? Hg14 Hg4 Hg14 140.50(2) 11 9_656 ? N7 Hg4 Hg14 141.73(14) . 2_456 ? N7 Hg4 Hg14 35.59(13) 10_655 2_456 ? Hg14 Hg4 Hg14 59.468(18) 11 2_456 ? Hg14 Hg4 Hg14 106.24(2) 9_656 2_456 ? N7 Hg4 Hg14 35.59(13) . 4_655 ? N7 Hg4 Hg14 141.74(14) 10_655 4_655 ? Hg14 Hg4 Hg14 106.24(2) 11 4_655 ? Hg14 Hg4 Hg14 59.468(18) 9_656 4_655 ? Hg14 Hg4 Hg14 140.50(2) 2_456 4_655 ? N5 Hg5 N2 176.1(4) . . ? N5 Hg5 Hg12 141.95(13) . 13_655 ? N2 Hg5 Hg12 35.83(17) . 13_655 ? N5 Hg5 Hg12 141.95(13) . 15_554 ? N2 Hg5 Hg12 35.83(17) . 15_554 ? Hg12 Hg5 Hg12 59.64(2) 13_655 15_554 ? N5 Hg5 Hg15 35.54(11) . 13_655 ? N2 Hg5 Hg15 142.28(19) . 13_655 ? Hg12 Hg5 Hg15 106.494(15) 13_655 13_655 ? Hg12 Hg5 Hg15 141.099(16) 15_554 13_655 ? N5 Hg5 Hg15 35.54(11) . 8_654 ? N2 Hg5 Hg15 142.28(19) . 8_654 ? Hg12 Hg5 Hg15 141.099(16) 13_655 8_654 ? Hg12 Hg5 Hg15 106.494(15) 15_554 8_654 ? Hg15 Hg5 Hg15 59.61(2) 13_655 8_654 ? N5 Hg5 Hg5 151.4(2) . 10_655 ? N2 Hg5 Hg5 32.5(3) . 10_655 ? Hg12 Hg5 Hg5 58.837(10) 13_655 10_655 ? Hg12 Hg5 Hg5 58.837(10) 15_554 10_655 ? Hg15 Hg5 Hg5 149.178(10) 13_655 10_655 ? Hg15 Hg5 Hg5 149.178(10) 8_654 10_655 ? N5 Hg5 Hg9 32.4(2) . . ? N2 Hg5 Hg9 151.5(3) . . ? Hg12 Hg5 Hg9 149.315(11) 13_655 . ? Hg12 Hg5 Hg9 149.315(11) 15_554 . ? Hg15 Hg5 Hg9 58.298(11) 13_655 . ? Hg15 Hg5 Hg9 58.298(11) 8_654 . ? Hg5 Hg5 Hg9 119.025(12) 10_655 . ? N7 Hg6 N4 174.6(4) . . ? N7 Hg6 Cl1 86.7(4) . 12_556 ? N4 Hg6 Cl1 88.5(4) . 12_556 ? N7 Hg6 Cl1 86.7(4) . . ? N4 Hg6 Cl1 88.5(4) . . ? Cl1 Hg6 Cl1 55.9(7) 12_556 . ? N7 Hg6 Hg10 141.00(16) . . ? N4 Hg6 Hg10 35.90(14) . . ? Cl1 Hg6 Hg10 86.3(3) 12_556 . ? Cl1 Hg6 Hg10 58.0(3) . . ? N7 Hg6 Hg10 141.00(16) . 12_556 ? N4 Hg6 Hg10 35.90(14) . 12_556 ? Cl1 Hg6 Hg10 58.0(3) 12_556 12_556 ? Cl1 Hg6 Hg10 86.3(3) . 12_556 ? Hg10 Hg6 Hg10 59.471(18) . 12_556 ? N7 Hg6 Hg14 35.49(13) . 4_655 ? N4 Hg6 Hg14 141.46(15) . 4_655 ? Cl1 Hg6 Hg14 85.4(3) 12_556 4_655 ? Cl1 Hg6 Hg14 56.9(3) . 4_655 ? Hg10 Hg6 Hg14 105.645(15) . 4_655 ? Hg10 Hg6 Hg14 139.584(16) 12_556 4_655 ? N7 Hg6 Hg14 35.49(13) . 9_656 ? N4 Hg6 Hg14 141.46(15) . 9_656 ? Cl1 Hg6 Hg14 56.9(3) 12_556 9_656 ? Cl1 Hg6 Hg14 85.4(3) . 9_656 ? Hg10 Hg6 Hg14 139.584(16) . 9_656 ? Hg10 Hg6 Hg14 105.646(15) 12_556 9_656 ? Hg14 Hg6 Hg14 59.42(2) 4_655 9_656 ? N7 Hg6 Hg16 86.3(3) . . ? N4 Hg6 Hg16 88.3(3) . . ? Cl1 Hg6 Hg16 28.0(4) 12_556 . ? Cl1 Hg6 Hg16 28.0(4) . . ? Hg10 Hg6 Hg16 70.349(17) . . ? Hg10 Hg6 Hg16 70.350(16) 12_556 . ? Hg14 Hg6 Hg16 69.235(13) 4_655 . ? Hg14 Hg6 Hg16 69.235(13) 9_656 . ? N4 Hg7 N6 175.0(4) . . ? N4 Hg7 Hg13 140.70(16) . 12_556 ? N6 Hg7 Hg13 36.41(14) . 12_556 ? N4 Hg7 Hg13 140.70(16) . . ? N6 Hg7 Hg13 36.41(14) . . ? Hg13 Hg7 Hg13 59.664(19) 12_556 . ? N4 Hg7 Hg10 35.69(13) . 12_556 ? N6 Hg7 Hg10 141.50(16) . 12_556 ? Hg13 Hg7 Hg10 105.149(15) 12_556 12_556 ? Hg13 Hg7 Hg10 139.027(16) . 12_556 ? N4 Hg7 Hg10 35.69(13) . . ? N6 Hg7 Hg10 141.50(16) . . ? Hg13 Hg7 Hg10 139.028(16) 12_556 . ? Hg13 Hg7 Hg10 105.152(15) . . ? Hg10 Hg7 Hg10 59.497(19) 12_556 . ? N4 Hg7 Hg2 152.2(3) . . ? N6 Hg7 Hg2 32.8(3) . . ? Hg13 Hg7 Hg2 59.915(13) 12_556 . ? Hg13 Hg7 Hg2 59.914(13) . . ? Hg10 Hg7 Hg2 149.484(10) 12_556 . ? Hg10 Hg7 Hg2 149.484(10) . . ? N8 Hg8 N10 173.7(4) . . ? N8 Hg8 Hg3 135.3(3) . . ? N10 Hg8 Hg3 38.4(3) . . ? N8 Hg8 Hg10 37.72(14) . 12 ? N10 Hg8 Hg10 138.48(17) . 12 ? Hg3 Hg8 Hg10 108.85(2) . 12 ? N8 Hg8 Hg10 37.72(14) . . ? N10 Hg8 Hg10 138.48(17) . . ? Hg3 Hg8 Hg10 108.85(2) . . ? Hg10 Hg8 Hg10 61.149(19) 12 . ? N8 Hg8 Hg11 34.8(3) . . ? N10 Hg8 Hg11 151.5(3) . . ? Hg3 Hg8 Hg11 170.141(18) . . ? Hg10 Hg8 Hg11 62.940(16) 12 . ? Hg10 Hg8 Hg11 62.939(16) . . ? N8 Hg8 Hg15 148.22(10) . 12 ? N10 Hg8 Hg15 34.58(13) . 12 ? Hg3 Hg8 Hg15 62.172(17) . 12 ? Hg10 Hg8 Hg15 119.333(15) 12 12 ? Hg10 Hg8 Hg15 170.966(16) . 12 ? Hg11 Hg8 Hg15 125.879(17) . 12 ? N8 Hg8 Hg15 148.22(10) . . ? N10 Hg8 Hg15 34.58(13) . . ? Hg3 Hg8 Hg15 62.171(17) . . ? Hg10 Hg8 Hg15 170.965(16) 12 . ? Hg10 Hg8 Hg15 119.335(15) . . ? Hg11 Hg8 Hg15 125.880(17) . . ? Hg15 Hg8 Hg15 58.578(18) 12 . ? N8 Hg8 Hg19 80.00(17) . . ? N10 Hg8 Hg19 104.01(17) . . ? Hg3 Hg8 Hg19 124.53(4) . . ? Hg10 Hg8 Hg19 117.50(4) 12 . ? Hg10 Hg8 Hg19 72.06(4) . . ? Hg11 Hg8 Hg19 59.82(4) . . ? Hg15 Hg8 Hg19 113.26(4) 12 . ? Hg15 Hg8 Hg19 69.79(4) . . ? N8 Hg8 Hg19 80.00(17) . 12 ? N10 Hg8 Hg19 104.01(17) . 12 ? Hg3 Hg8 Hg19 124.53(4) . 12 ? Hg10 Hg8 Hg19 72.06(4) 12 12 ? Hg10 Hg8 Hg19 117.50(4) . 12 ? Hg11 Hg8 Hg19 59.82(4) . 12 ? Hg15 Hg8 Hg19 69.79(4) 12 12 ? Hg15 Hg8 Hg19 113.26(4) . 12 ? Hg19 Hg8 Hg19 98.35(8) . 12 ? N9 Hg9 N5 173.2(3) . . ? N9 Hg9 Hg15 139.68(16) . 13_655 ? N5 Hg9 Hg15 36.34(13) . 13_655 ? N9 Hg9 Hg15 139.68(16) . 8_654 ? N5 Hg9 Hg15 36.34(13) . 8_654 ? Hg15 Hg9 Hg15 60.109(18) 13_655 8_654 ? N9 Hg9 Hg3 35.6(2) . . ? N5 Hg9 Hg3 137.6(2) . . ? Hg15 Hg9 Hg3 112.395(19) 13_655 . ? Hg15 Hg9 Hg3 112.395(19) 8_654 . ? N9 Hg9 Hg13 32.79(11) . . ? N5 Hg9 Hg13 149.80(7) . . ? Hg15 Hg9 Hg13 120.175(16) 13_655 . ? Hg15 Hg9 Hg13 169.714(15) 8_654 . ? Hg3 Hg9 Hg13 57.464(15) . . ? N9 Hg9 Hg5 154.8(2) . . ? N5 Hg9 Hg5 32.0(2) . . ? Hg15 Hg9 Hg5 59.015(16) 13_655 . ? Hg15 Hg9 Hg5 59.015(16) 8_654 . ? Hg3 Hg9 Hg5 169.618(17) . . ? Hg13 Hg9 Hg5 130.833(17) . . ? N9 Hg9 Hg13 32.79(11) . 12 ? N5 Hg9 Hg13 149.81(7) . 12 ? Hg15 Hg9 Hg13 169.712(15) 13_655 12 ? Hg15 Hg9 Hg13 120.175(16) 8_654 12 ? Hg3 Hg9 Hg13 57.462(15) . 12 ? Hg13 Hg9 Hg13 57.435(18) . 12 ? Hg5 Hg9 Hg13 130.835(16) . 12 ? N4 Hg10 N8 173.9(4) . . ? N4 Hg10 I1 98.2(3) . . ? N8 Hg10 I1 87.7(3) . . ? N4 Hg10 Hg8 136.4(2) . . ? N8 Hg10 Hg8 37.8(3) . . ? I1 Hg10 Hg8 125.40(13) . . ? N4 Hg10 Hg10 36.4(2) . 12_556 ? N8 Hg10 Hg10 143.6(2) . 12_556 ? I1 Hg10 Hg10 101.57(13) . 12_556 ? Hg8 Hg10 Hg10 120.573(10) . 12_556 ? N4 Hg10 Hg10 143.6(2) . 12 ? N8 Hg10 Hg10 36.4(2) . 12 ? I1 Hg10 Hg10 78.44(13) . 12 ? Hg8 Hg10 Hg10 59.424(10) . 12 ? Hg10 Hg10 Hg10 179.997(1) 12_556 12 ? N4 Hg10 Hg7 35.4(2) . . ? N8 Hg10 Hg7 139.0(3) . . ? I1 Hg10 Hg7 125.35(12) . . ? Hg8 Hg10 Hg7 106.055(19) . . ? Hg10 Hg10 Hg7 60.251(9) 12_556 . ? Hg10 Hg10 Hg7 119.748(9) 12 . ? N4 Hg10 Hg6 36.1(2) . . ? N8 Hg10 Hg6 149.0(3) . . ? I1 Hg10 Hg6 63.89(12) . . ? Hg8 Hg10 Hg6 167.437(14) . . ? Hg10 Hg10 Hg6 60.266(9) 12_556 . ? Hg10 Hg10 Hg6 119.738(9) 12 . ? Hg7 Hg10 Hg6 62.712(18) . . ? N4 Hg10 Hg11 152.0(2) . . ? N8 Hg10 Hg11 32.2(2) . . ? I1 Hg10 Hg11 70.53(12) . . ? Hg8 Hg10 Hg11 59.712(16) . . ? Hg10 Hg10 Hg11 118.745(9) 12_556 . ? Hg10 Hg10 Hg11 61.254(10) 12 . ? Hg7 Hg10 Hg11 164.043(14) . . ? Hg6 Hg10 Hg11 132.159(17) . . ? N8 Hg11 N1 171.3(4) . . ? N8 Hg11 Hg1 135.7(3) . . ? N1 Hg11 Hg1 35.7(2) . . ? N8 Hg11 Hg8 35.5(3) . . ? N1 Hg11 Hg8 135.8(2) . . ? Hg1 Hg11 Hg8 100.147(17) . . ? N8 Hg11 Hg10 32.79(13) . 12 ? N1 Hg11 Hg10 150.29(5) . 12 ? Hg1 Hg11 Hg10 140.835(14) . 12 ? Hg8 Hg11 Hg10 57.347(10) . 12 ? N8 Hg11 Hg10 32.79(13) . . ? N1 Hg11 Hg10 150.29(5) . . ? Hg1 Hg11 Hg10 140.836(14) . . ? Hg8 Hg11 Hg10 57.348(10) . . ? Hg10 Hg11 Hg10 57.491(19) 12 . ? N8 Hg11 Hg14 150.44(7) . . ? N1 Hg11 Hg14 32.60(10) . . ? Hg1 Hg11 Hg14 57.257(15) . . ? Hg8 Hg11 Hg14 140.857(12) . . ? Hg10 Hg11 Hg14 158.880(16) 12 . ? Hg10 Hg11 Hg14 118.144(16) . . ? N8 Hg11 Hg14 150.44(7) . 12 ? N1 Hg11 Hg14 32.60(10) . 12 ? Hg1 Hg11 Hg14 57.257(14) . 12 ? Hg8 Hg11 Hg14 140.857(12) . 12 ? Hg10 Hg11 Hg14 118.145(15) 12 12 ? Hg10 Hg11 Hg14 158.879(16) . 12 ? Hg14 Hg11 Hg14 57.295(18) . 12 ? N8 Hg11 Hg19 87.41(17) . 12 ? N1 Hg11 Hg19 87.53(13) . 12 ? Hg1 Hg11 Hg19 67.97(4) . 12 ? Hg8 Hg11 Hg19 67.96(4) . 12 ? Hg10 Hg11 Hg19 73.56(4) 12 12 ? Hg10 Hg11 Hg19 119.83(4) . 12 ? Hg14 Hg11 Hg19 119.74(4) . 12 ? Hg14 Hg11 Hg19 73.62(5) 12 12 ? N8 Hg11 Hg19 87.41(17) . . ? N1 Hg11 Hg19 87.53(13) . . ? Hg1 Hg11 Hg19 67.97(4) . . ? Hg8 Hg11 Hg19 67.96(4) . . ? Hg10 Hg11 Hg19 119.83(4) 12 . ? Hg10 Hg11 Hg19 73.56(4) . . ? Hg14 Hg11 Hg19 73.62(5) . . ? Hg14 Hg11 Hg19 119.74(4) 12 . ? Hg19 Hg11 Hg19 108.46(9) 12 . ? N3 Hg12 N2 179.7(4) . 13_655 ? N3 Hg12 Hg12 36.1(3) . 3_655 ? N2 Hg12 Hg12 143.6(3) 13_655 3_655 ? N3 Hg12 Hg12 143.9(3) . 3_656 ? N2 Hg12 Hg12 36.4(3) 13_655 3_656 ? Hg12 Hg12 Hg12 180.0 3_655 3_656 ? N3 Hg12 Hg5 144.29(14) . 6 ? N2 Hg12 Hg5 35.57(14) 13_655 6 ? Hg12 Hg12 Hg5 119.822(11) 3_655 6 ? Hg12 Hg12 Hg5 60.179(10) 3_656 6 ? N3 Hg12 Hg5 144.29(14) . 13_655 ? N2 Hg12 Hg5 35.57(14) 13_655 13_655 ? Hg12 Hg12 Hg5 119.822(10) 3_655 13_655 ? Hg12 Hg12 Hg5 60.179(10) 3_656 13_655 ? Hg5 Hg12 Hg5 62.33(2) 6 13_655 ? N3 Hg12 Hg1 34.37(16) . . ? N2 Hg12 Hg1 145.79(17) 13_655 . ? Hg12 Hg12 Hg1 60.798(11) 3_655 . ? Hg12 Hg12 Hg1 119.201(11) 3_656 . ? Hg5 Hg12 Hg1 176.796(14) 6 . ? Hg5 Hg12 Hg1 120.421(17) 13_655 . ? N3 Hg12 Hg1 34.37(16) . 10_755 ? N2 Hg12 Hg1 145.80(17) 13_655 10_755 ? Hg12 Hg12 Hg1 60.799(11) 3_655 10_755 ? Hg12 Hg12 Hg1 119.200(10) 3_656 10_755 ? Hg5 Hg12 Hg1 120.422(17) 6 10_755 ? Hg5 Hg12 Hg1 176.794(14) 13_655 10_755 ? Hg1 Hg12 Hg1 56.78(2) . 10_755 ? N6 Hg13 N9 175.3(3) . . ? N6 Hg13 Hg3 138.4(2) . . ? N9 Hg13 Hg3 37.3(2) . . ? N6 Hg13 Hg13 36.8(2) . 12_556 ? N9 Hg13 Hg13 143.58(19) . 12_556 ? Hg3 Hg13 Hg13 120.635(10) . 12_556 ? N6 Hg13 Hg7 36.5(2) . . ? N9 Hg13 Hg7 139.0(2) . . ? Hg3 Hg13 Hg7 106.686(14) . . ? Hg13 Hg13 Hg7 60.166(10) 12_556 . ? N6 Hg13 Hg13 143.2(2) . 12 ? N9 Hg13 Hg13 36.42(19) . 12 ? Hg3 Hg13 Hg13 59.363(10) . 12 ? Hg13 Hg13 Hg13 179.995(1) 12_556 12 ? Hg7 Hg13 Hg13 119.829(10) . 12 ? N6 Hg13 Hg2 34.6(2) . . ? N9 Hg13 Hg2 149.0(2) . . ? Hg3 Hg13 Hg2 167.216(16) . . ? Hg13 Hg13 Hg2 60.850(9) 12_556 . ? Hg7 Hg13 Hg2 62.171(14) . . ? Hg13 Hg13 Hg2 119.150(9) 12 . ? N6 Hg13 Hg9 151.3(2) . . ? N9 Hg13 Hg9 32.3(2) . . ? Hg3 Hg13 Hg9 59.145(12) . . ? Hg13 Hg13 Hg9 118.720(9) 12_556 . ? Hg7 Hg13 Hg9 164.082(14) . . ? Hg13 Hg13 Hg9 61.284(9) 12 . ? Hg2 Hg13 Hg9 132.719(14) . . ? N7 Hg14 N1 173.7(3) 9_656 . ? N7 Hg14 Cl1 81.9(4) 9_656 4_655 ? N1 Hg14 Cl1 104.4(4) . 4_655 ? N7 Hg14 I1 97.7(3) 9_656 4_655 ? N1 Hg14 I1 88.5(2) . 4_655 ? Cl1 Hg14 I1 18.7(3) 4_655 4_655 ? N7 Hg14 Hg1 136.2(2) 9_656 . ? N1 Hg14 Hg1 37.6(2) . . ? Cl1 Hg14 Hg1 140.7(3) 4_655 . ? I1 Hg14 Hg1 126.03(13) 4_655 . ? N7 Hg14 Hg14 36.0(2) 9_656 12_556 ? N1 Hg14 Hg14 143.50(16) . 12_556 ? Cl1 Hg14 Hg14 82.9(4) 4_655 12_556 ? I1 Hg14 Hg14 101.58(13) 4_655 12_556 ? Hg1 Hg14 Hg14 120.669(10) . 12_556 ? N7 Hg14 Hg14 144.0(2) 9_656 12 ? N1 Hg14 Hg14 36.50(16) . 12 ? Cl1 Hg14 Hg14 97.1(4) 4_655 12 ? I1 Hg14 Hg14 78.42(13) 4_655 12 ? Hg1 Hg14 Hg14 59.330(10) . 12 ? Hg14 Hg14 Hg14 180.00(2) 12_556 12 ? N7 Hg14 Hg4 36.0(2) 9_656 9_656 ? N1 Hg14 Hg4 138.4(2) . 9_656 ? Cl1 Hg14 Hg4 114.0(3) 4_655 9_656 ? I1 Hg14 Hg4 125.27(12) 4_655 9_656 ? Hg1 Hg14 Hg4 105.249(18) . 9_656 ? Hg14 Hg14 Hg4 60.266(9) 12_556 9_656 ? Hg14 Hg14 Hg4 119.733(9) 12 9_656 ? N7 Hg14 Hg6 35.8(2) 9_656 9_656 ? N1 Hg14 Hg6 149.61(19) . 9_656 ? Cl1 Hg14 Hg6 51.5(3) 4_655 9_656 ? I1 Hg14 Hg6 63.88(12) 4_655 9_656 ? Hg1 Hg14 Hg6 166.433(15) . 9_656 ? Hg14 Hg14 Hg6 60.290(10) 12_556 9_656 ? Hg14 Hg14 Hg6 119.711(10) 12 9_656 ? Hg4 Hg14 Hg6 62.661(14) 9_656 9_656 ? N7 Hg14 Hg11 151.8(2) 9_656 . ? N1 Hg14 Hg11 32.00(19) . . ? Cl1 Hg14 Hg11 82.2(3) 4_655 . ? I1 Hg14 Hg11 72.06(12) 4_655 . ? Hg1 Hg14 Hg11 59.248(17) . . ? Hg14 Hg14 Hg11 118.648(9) 12_556 . ? Hg14 Hg14 Hg11 61.353(9) 12 . ? Hg4 Hg14 Hg11 162.591(15) 9_656 . ? Hg6 Hg14 Hg11 133.596(16) 9_656 . ? N10 Hg15 N5 179.9(4) . 13_655 ? N10 Hg15 Hg15 36.1(2) . 12 ? N5 Hg15 Hg15 143.78(19) 13_655 12 ? N10 Hg15 Hg9 143.6(3) . 13_655 ? N5 Hg15 Hg9 36.3(2) 13_655 13_655 ? Hg15 Hg15 Hg9 120.059(10) 12 13_655 ? N10 Hg15 Hg15 143.8(2) . 12_556 ? N5 Hg15 Hg15 36.23(19) 13_655 12_556 ? Hg15 Hg15 Hg15 180.0 12 12_556 ? Hg9 Hg15 Hg15 59.946(9) 13_655 12_556 ? N10 Hg15 Hg5 144.9(3) . 13_655 ? N5 Hg15 Hg5 35.1(2) 13_655 13_655 ? Hg15 Hg15 Hg5 119.803(10) 12 13_655 ? Hg9 Hg15 Hg5 62.688(13) 13_655 13_655 ? Hg15 Hg15 Hg5 60.198(10) 12_556 13_655 ? N10 Hg15 Hg8 34.9(3) . . ? N5 Hg15 Hg8 145.2(2) 13_655 . ? Hg15 Hg15 Hg8 60.709(10) 12 . ? Hg9 Hg15 Hg8 176.416(14) 13_655 . ? Hg15 Hg15 Hg8 119.286(9) 12_556 . ? Hg5 Hg15 Hg8 120.344(16) 13_655 . ? N10 Hg15 Hg3 33.7(3) . . ? N5 Hg15 Hg3 146.2(2) 13_655 . ? Hg15 Hg15 Hg3 61.001(10) 12 . ? Hg9 Hg15 Hg3 120.274(15) 13_655 . ? Hg15 Hg15 Hg3 118.998(10) 12_556 . ? Hg5 Hg15 Hg3 176.453(14) 13_655 . ? Hg8 Hg15 Hg3 56.622(13) . . ? Hg11 N1 Hg1 109.0(3) . . ? Hg11 N1 Hg14 115.4(2) . . ? Hg1 N1 Hg14 104.5(3) . . ? Hg11 N1 Hg14 115.4(2) . 12 ? Hg1 N1 Hg14 104.5(3) . 12 ? Hg14 N1 Hg14 107.0(3) . 12 ? Hg5 N2 Hg5 115.0(7) 10_655 . ? Hg5 N2 Hg12 108.60(3) 10_655 13_655 ? Hg5 N2 Hg12 108.60(4) . 13_655 ? Hg5 N2 Hg12 108.60(4) 10_655 15_554 ? Hg5 N2 Hg12 108.60(3) . 15_554 ? Hg12 N2 Hg12 107.2(6) 13_655 15_554 ? Hg12 N3 Hg12 107.8(6) 3_655 . ? Hg12 N3 Hg1 111.45(2) 3_655 . ? Hg12 N3 Hg1 111.45(2) . . ? Hg12 N3 Hg1 111.45(2) 3_655 10_755 ? Hg12 N3 Hg1 111.45(2) . 10_755 ? Hg1 N3 Hg1 103.2(6) . 10_755 ? Hg7 N4 Hg10 109.0(3) . . ? Hg7 N4 Hg10 109.0(3) . 12_556 ? Hg10 N4 Hg10 107.1(4) . 12_556 ? Hg7 N4 Hg6 115.4(4) . . ? Hg10 N4 Hg6 108.0(3) . . ? Hg10 N4 Hg6 108.0(3) 12_556 . ? Hg5 N5 Hg9 115.6(4) . . ? Hg5 N5 Hg15 109.4(3) . 13_655 ? Hg9 N5 Hg15 107.4(3) . 13_655 ? Hg5 N5 Hg15 109.4(3) . 8_654 ? Hg9 N5 Hg15 107.4(3) . 8_654 ? Hg15 N5 Hg15 107.5(4) 13_655 8_654 ? Hg2 N6 Hg13 110.7(3) . 12_556 ? Hg2 N6 Hg13 110.7(3) . . ? Hg13 N6 Hg13 106.5(4) 12_556 . ? Hg2 N6 Hg7 114.3(4) . . ? Hg13 N6 Hg7 107.1(3) 12_556 . ? Hg13 N6 Hg7 107.1(3) . . ? Hg14 N7 Hg14 107.9(4) 4_655 9_656 ? Hg14 N7 Hg6 108.7(3) 4_655 . ? Hg14 N7 Hg6 108.7(3) 9_656 . ? Hg14 N7 Hg4 108.4(3) 4_655 . ? Hg14 N7 Hg4 108.4(3) 9_656 . ? Hg6 N7 Hg4 114.5(4) . . ? Hg11 N8 Hg10 115.0(3) . 12 ? Hg11 N8 Hg10 115.0(3) . . ? Hg10 N8 Hg10 107.2(4) 12 . ? Hg11 N8 Hg8 109.6(4) . . ? Hg10 N8 Hg8 104.5(3) 12 . ? Hg10 N8 Hg8 104.5(3) . . ? Hg9 N9 Hg3 108.9(4) . . ? Hg9 N9 Hg13 114.9(3) . . ? Hg3 N9 Hg13 105.0(3) . . ? Hg9 N9 Hg13 114.9(3) . 12 ? Hg3 N9 Hg13 105.0(3) . 12 ? Hg13 N9 Hg13 107.2(4) . 12 ? Hg15 N10 Hg15 107.7(4) 12 . ? Hg15 N10 Hg3 112.6(3) 12 . ? Hg15 N10 Hg3 112.6(3) . . ? Hg15 N10 Hg8 110.5(3) 12 . ? Hg15 N10 Hg8 110.5(3) . . ? Hg3 N10 Hg8 102.9(4) . . ? Cl1 Hg16 Cl1 180.0(6) . 9_656 ? Cl1 Hg16 Cl1 74.9(9) . 12_556 ? Cl1 Hg16 Cl1 105.1(9) 9_656 12_556 ? Cl1 Hg16 Cl1 105.1(9) . 4_655 ? Cl1 Hg16 Cl1 74.9(9) 9_656 4_655 ? Cl1 Hg16 Cl1 180.0(10) 12_556 4_655 ? Cl1 Hg16 I1 17.4(5) . . ? Cl1 Hg16 I1 162.6(5) 9_656 . ? Cl1 Hg16 I1 92.3(5) 12_556 . ? Cl1 Hg16 I1 87.7(5) 4_655 . ? Cl1 Hg16 I1 162.6(5) . 9_656 ? Cl1 Hg16 I1 17.4(5) 9_656 9_656 ? Cl1 Hg16 I1 87.7(5) 12_556 9_656 ? Cl1 Hg16 I1 92.3(5) 4_655 9_656 ? I1 Hg16 I1 180.0 . 9_656 ? Cl1 Hg16 I1 92.3(5) . 12_556 ? Cl1 Hg16 I1 87.7(5) 9_656 12_556 ? Cl1 Hg16 I1 17.4(5) 12_556 12_556 ? Cl1 Hg16 I1 162.6(5) 4_655 12_556 ? I1 Hg16 I1 109.7(3) . 12_556 ? I1 Hg16 I1 70.3(3) 9_656 12_556 ? Cl1 Hg16 I1 87.7(5) . 4_655 ? Cl1 Hg16 I1 92.3(5) 9_656 4_655 ? Cl1 Hg16 I1 162.6(5) 12_556 4_655 ? Cl1 Hg16 I1 17.4(5) 4_655 4_655 ? I1 Hg16 I1 70.3(3) . 4_655 ? I1 Hg16 I1 109.7(3) 9_656 4_655 ? I1 Hg16 I1 180.0(3) 12_556 4_655 ? Cl1 Hg16 X5 89.5(4) . . ? Cl1 Hg16 X5 90.5(4) 9_656 . ? Cl1 Hg16 X5 89.5(4) 12_556 . ? Cl1 Hg16 X5 90.5(4) 4_655 . ? I1 Hg16 X5 89.01(13) . . ? I1 Hg16 X5 90.99(13) 9_656 . ? I1 Hg16 X5 89.01(13) 12_556 . ? I1 Hg16 X5 90.99(13) 4_655 . ? Cl1 Hg16 X5 90.5(4) . 9_656 ? Cl1 Hg16 X5 89.5(4) 9_656 9_656 ? Cl1 Hg16 X5 90.5(4) 12_556 9_656 ? Cl1 Hg16 X5 89.5(4) 4_655 9_656 ? I1 Hg16 X5 90.99(13) . 9_656 ? I1 Hg16 X5 89.01(13) 9_656 9_656 ? I1 Hg16 X5 90.99(13) 12_556 9_656 ? I1 Hg16 X5 89.01(13) 4_655 9_656 ? X5 Hg16 X5 180.0 . 9_656 ? Cl1 Hg16 Hg6 37.4(5) . . ? Cl1 Hg16 Hg6 142.6(5) 9_656 . ? Cl1 Hg16 Hg6 37.4(5) 12_556 . ? Cl1 Hg16 Hg6 142.6(5) 4_655 . ? I1 Hg16 Hg6 54.84(13) . . ? I1 Hg16 Hg6 125.16(13) 9_656 . ? I1 Hg16 Hg6 54.84(13) 12_556 . ? I1 Hg16 Hg6 125.16(13) 4_655 . ? X5 Hg16 Hg6 89.31(5) . . ? X5 Hg16 Hg6 90.69(5) 9_656 . ? Cl1 Hg16 Hg6 142.6(5) . 9_656 ? Cl1 Hg16 Hg6 37.4(5) 9_656 9_656 ? Cl1 Hg16 Hg6 142.6(5) 12_556 9_656 ? Cl1 Hg16 Hg6 37.4(5) 4_655 9_656 ? I1 Hg16 Hg6 125.16(13) . 9_656 ? I1 Hg16 Hg6 54.84(13) 9_656 9_656 ? I1 Hg16 Hg6 125.16(13) 12_556 9_656 ? I1 Hg16 Hg6 54.84(13) 4_655 9_656 ? X5 Hg16 Hg6 90.69(5) . 9_656 ? X5 Hg16 Hg6 89.31(5) 9_656 9_656 ? Hg6 Hg16 Hg6 180.0 . 9_656 ? Cl1 I1 I1 174.6(10) . 12 ? Cl1 I1 Hg16 40.3(10) . . ? I1 I1 Hg16 144.84(13) 12 . ? Cl1 I1 Hg10 77.6(10) . . ? I1 I1 Hg10 101.56(13) 12 . ? Hg16 I1 Hg10 96.23(19) . . ? Cl1 I1 Hg14 74.6(10) . 4_655 ? I1 I1 Hg14 101.58(13) 12 4_655 ? Hg16 I1 Hg14 94.52(19) . 4_655 ? Hg10 I1 Hg14 121.2(2) . 4_655 ? I1 Cl1 Hg16 122.3(13) . . ? I1 Cl1 Hg6 123.1(12) . . ? Hg16 Cl1 Hg6 114.6(7) . . ? I1 Cl1 Hg14 86.7(11) . 4_655 ? Hg16 Cl1 Hg14 114.3(6) . 4_655 ? Hg6 Cl1 Hg14 71.6(4) . 4_655 ? Hg17 Hg17 I3 81.91(3) 3 . ? Hg17 Hg17 I3 81.91(3) 3 10_655 ? I3 Hg17 I3 115.63(6) . 10_655 ? Hg17 Hg17 I2 82.06(3) 3 . ? I3 Hg17 I2 119.30(3) . . ? I3 Hg17 I2 119.30(3) 10_655 . ? Hg17 Hg17 I4 179.31(4) 3 . ? I3 Hg17 I4 97.73(4) . . ? I3 Hg17 I4 97.73(4) 10_655 . ? I2 Hg17 I4 98.63(5) . . ? Hg17 Hg17 I4 0.56(3) 3 1_554 ? I3 Hg17 I4 81.62(3) . 1_554 ? I3 Hg17 I4 81.62(3) 10_655 1_554 ? I2 Hg17 I4 82.62(4) . 1_554 ? I4 Hg17 I4 178.76(7) . 1_554 ? Hg17 I2 Hg17 15.87(6) 3 . ? Hg17 I3 Hg17 16.19(6) . 3 ? Hg17 I4 Hg17 178.61(8) . 3_556 ? Hg17 I4 Hg17 178.75(7) . 1_556 ? Hg17 I4 Hg17 0.143(8) 3_556 1_556 ? Hg17 I4 Hg17 0.141(8) . 3 ? Hg17 I4 Hg17 178.75(7) 3_556 3 ? Hg17 I4 Hg17 178.89(6) 1_556 3 ? 18C 18A 18C 66(2) 10_655 3_556 ? 18C 18A 18C 103(4) 10_655 12_556 ? 18C 18A 18C 69(5) 3_556 12_556 ? 18C 18A 18C 69(5) 10_655 . ? 18C 18A 18C 103(4) 3_556 . ? 18C 18A 18C 66(2) 12_556 . ? 18C 18A 18B 36.5(19) 10_655 . ? 18C 18A 18B 73(3) 3_556 . ? 18C 18A 18B 73(3) 12_556 . ? 18C 18A 18B 36.5(19) . . ? 18C 18A 18B 73(3) 10_655 3_556 ? 18C 18A 18B 36.5(19) 3_556 3_556 ? 18C 18A 18B 36.5(19) 12_556 3_556 ? 18C 18A 18B 73(3) . 3_556 ? 18B 18A 18B 56(4) . 3_556 ? 18C 18A X11 95(2) 10_655 10_655 ? 18C 18A X11 95(2) 3_556 10_655 ? 18C 18A X11 147.0(11) 12_556 10_655 ? 18C 18A X11 147.0(11) . 10_655 ? 18B 18A X11 131.2(9) . 10_655 ? 18B 18A X11 131.2(9) 3_556 10_655 ? 18C 18A X11 147.0(11) 10_655 . ? 18C 18A X11 147.0(11) 3_556 . ? 18C 18A X11 95(2) 12_556 . ? 18C 18A X11 95(2) . . ? 18B 18A X11 131.2(9) . . ? 18B 18A X11 131.2(9) 3_556 . ? X11 18A X11 83.5(12) 10_655 . ? 18C 18A X2 37(2) 10_655 . ? 18C 18A X2 71.5(18) 3_556 . ? 18C 18A X2 71.5(18) 12_556 . ? 18C 18A X2 37(2) . . ? 18B 18A X2 1.9(19) . . ? 18B 18A X2 54(2) 3_556 . ? X11 18A X2 132.0(6) 10_655 . ? X11 18A X2 132.0(6) . . ? 18C 18A X2 71.5(18) 10_655 3_556 ? 18C 18A X2 37(2) 3_556 3_556 ? 18C 18A X2 37(2) 12_556 3_556 ? 18C 18A X2 71.5(18) . 3_556 ? 18B 18A X2 54(2) . 3_556 ? 18B 18A X2 1.9(19) 3_556 3_556 ? X11 18A X2 132.0(6) 10_655 3_556 ? X11 18A X2 132.0(6) . 3_556 ? X2 18A X2 52.3(14) . 3_556 ? 18C 18A X13 96(2) 10_655 10_655 ? 18C 18A X13 96(2) 3_556 10_655 ? 18C 18A X13 147.0(11) 12_556 10_655 ? 18C 18A X13 147.0(11) . 10_655 ? 18B 18A X13 132.1(9) . 10_655 ? 18B 18A X13 132.1(9) 3_556 10_655 ? X11 18A X13 1.2(7) 10_655 10_655 ? X11 18A X13 82.3(7) . 10_655 ? X2 18A X13 133.0(4) . 10_655 ? X2 18A X13 133.0(4) 3_556 10_655 ? 18C 18A X13 147.0(11) 10_655 . ? 18C 18A X13 147.0(11) 3_556 . ? 18C 18A X13 96(2) 12_556 . ? 18C 18A X13 96(2) . . ? 18B 18A X13 132.1(9) . . ? 18B 18A X13 132.1(9) 3_556 . ? X11 18A X13 82.3(7) 10_655 . ? X11 18A X13 1.2(7) . . ? X2 18A X13 133.0(4) . . ? X2 18A X13 133.0(4) 3_556 . ? X13 18A X13 81.2(8) 10_655 . ? 18C 18B 18C 88(4) 10_655 . ? 18C 18B 18B 83(3) 10_655 3_556 ? 18C 18B 18B 83(4) . 3_556 ? 18C 18B 18A 47.1(19) 10_655 . ? 18C 18B 18A 47.1(19) . . ? 18B 18B 18A 61.9(18) 3_556 . ? 18C 18B 18C 84(3) 10_655 12_556 ? 18C 18B 18C 49(4) . 12_556 ? 18B 18B 18C 34.3(6) 3_556 12_556 ? 18A 18B 18C 41.9(11) . 12_556 ? 18C 18B 18C 49(4) 10_655 3_556 ? 18C 18B 18C 84(3) . 3_556 ? 18B 18B 18C 34.3(6) 3_556 3_556 ? 18A 18B 18C 41.9(11) . 3_556 ? 18C 18B 18C 46.4(18) 12_556 3_556 ? 18C 18B X2 134(2) 10_655 . ? 18C 18B X2 134(2) . . ? 18B 18B X2 114.9(15) 3_556 . ? 18A 18B X2 177(3) . . ? 18C 18B X2 135.5(19) 12_556 . ? 18C 18B X2 135.5(19) 3_556 . ? 18C 18B X8 104(4) 10_655 . ? 18C 18B X8 104(4) . . ? 18B 18B X8 170.3(9) 3_556 . ? 18A 18B X8 128(3) . . ? 18C 18B X8 151.9(5) 12_556 . ? 18C 18B X8 151.9(5) 3_556 . ? X2 18B X8 55.4(11) . . ? 18C 18B X2 113(3) 10_655 3_556 ? 18C 18B X2 113(3) . 3_556 ? 18B 18B X2 42.1(8) 3_556 3_556 ? 18A 18B X2 104.0(18) . 3_556 ? 18C 18B X2 69.9(10) 12_556 3_556 ? 18C 18B X2 69.9(10) 3_556 3_556 ? X2 18B X2 73(2) . 3_556 ? X8 18B X2 128.2(14) . 3_556 ? 18C 18B X11 16.1(16) 10_655 10_655 ? 18C 18B X11 72(2) . 10_655 ? 18B 18B X11 79.6(5) 3_556 10_655 ? 18A 18B X11 32.1(9) . 10_655 ? 18C 18B X11 71.9(11) 12_556 10_655 ? 18C 18B X11 47.0(8) 3_556 10_655 ? X2 18B X11 149.2(7) . 10_655 ? X8 18B X11 108.8(13) . 10_655 ? X2 18B X11 116.5(8) 3_556 10_655 ? 18C 18B X11 72(2) 10_655 . ? 18C 18B X11 16.1(16) . . ? 18B 18B X11 79.6(5) 3_556 . ? 18A 18B X11 32.1(9) . . ? 18C 18B X11 47.0(8) 12_556 . ? 18C 18B X11 71.9(11) 3_556 . ? X2 18B X11 149.2(7) . . ? X8 18B X11 108.8(13) . . ? X2 18B X11 116.5(8) 3_556 . ? X11 18B X11 56.1(9) 10_655 . ? 18C 18B X9 103(4) 10_655 . ? 18C 18B X9 103(4) . . ? 18B 18B X9 170.7(7) 3_556 . ? 18A 18B X9 127(2) . . ? 18C 18B X9 151.7(5) 12_556 . ? 18C 18B X9 151.7(5) 3_556 . ? X2 18B X9 55.8(12) . . ? X8 18B X9 0.4(4) . . ? X2 18B X9 128.6(12) 3_556 . ? X11 18B X9 108.5(10) 10_655 . ? X11 18B X9 108.5(10) . . ? 18B 18C 18A 96(3) . . ? 18B 18C 18C 97(3) . 12_556 ? 18A 18C 18C 57.0(11) . 12_556 ? 18B 18C 18C 46.0(18) . 10_655 ? 18A 18C 18C 56(2) . 10_655 ? 18C 18C 18C 90.00(3) 12_556 10_655 ? 18B 18C 18B 62(3) . 3_556 ? 18A 18C 18B 65(2) . 3_556 ? 18C 18C 18B 34.3(6) 12_556 3_556 ? 18C 18C 18B 66.8(9) 10_655 3_556 ? 18B 18C 18C 65.2(19) . 3_556 ? 18A 18C 18C 38(2) . 3_556 ? 18C 18C 18C 46(2) 12_556 3_556 ? 18C 18C 18C 44(2) 10_655 3_556 ? 18B 18C 18C 31.0(10) 3_556 3_556 ? 18B 18C X11 159(2) . . ? 18A 18C X11 64(2) . . ? 18C 18C X11 78.7(4) 12_556 . ? 18C 18C X11 113.4(6) 10_655 . ? 18B 18C X11 110.8(10) 3_556 . ? 18C 18C X11 98.6(12) 3_556 . ? 18B 18C X2 34.2(17) . . ? 18A 18C X2 130(3) . . ? 18C 18C X2 111.2(9) 12_556 . ? 18C 18C X2 78.4(4) 10_655 . ? 18B 18C X2 81.6(11) 3_556 . ? 18C 18C X2 96.1(11) 3_556 . ? X11 18C X2 165.2(9) . . ? 18B 18C X8 61(4) . . ? 18A 18C X8 127.4(17) . . ? 18C 18C X8 156.7(6) 12_556 . ? 18C 18C X8 79.0(4) 10_655 . ? 18B 18C X8 122.9(9) 3_556 . ? 18C 18C X8 120(2) 3_556 . ? X11 18C X8 124.5(5) . . ? X2 18C X8 46.7(11) . . ? 18B 18C X2 54(3) . 3_556 ? 18A 18C X2 92.1(17) . 3_556 ? 18C 18C X2 51.3(9) 12_556 3_556 ? 18C 18C X2 80.4(4) 10_655 3_556 ? 18B 18C X2 27.1(12) 3_556 3_556 ? 18C 18C X2 56.3(11) 3_556 3_556 ? X11 18C X2 128.8(12) . 3_556 ? X2 18C X2 60.0(16) . 3_556 ? X8 18C X2 106.2(13) . 3_556 ? 18B 18C X11 95(2) . 10_655 ? 18A 18C X11 23.7(8) . 10_655 ? 18C 18C X11 80.8(4) 12_556 10_655 ? 18C 18C X11 48.8(7) 10_655 10_655 ? 18B 18C X11 84.5(12) 3_556 10_655 ? 18C 18C X11 54.1(11) 3_556 10_655 ? X11 18C X11 64.6(11) . 10_655 ? X2 18C X11 126.5(10) . 10_655 ? X8 18C X11 106.0(6) . 10_655 ? X2 18C X11 110.4(7) 3_556 10_655 ? 18B 18C X10 121.7(18) . . ? 18A 18C X10 127(3) . . ? 18C 18C X10 81.1(4) 12_556 . ? 18C 18C X10 164.0(4) 10_655 . ? 18B 18C X10 99.2(9) 3_556 . ? 18C 18C X10 126(2) 3_556 . ? X11 18C X10 77.9(9) . . ? X2 18C X10 92.4(6) . . ? X8 18C X10 104.3(7) . . ? X2 18C X10 83.7(3) 3_556 . ? X11 18C X10 140.9(14) 10_655 . ? Hg19 Hg19 X14 139.8(3) 12_556 . ? Hg19 Hg19 X5 81.35(7) 12_556 . ? X14 Hg19 X5 138.8(3) . . ? Hg19 Hg19 X14 29.7(2) 12_556 12_556 ? X14 Hg19 X14 110.1(5) . 12_556 ? X5 Hg19 X14 111.0(2) . 12_556 ? Hg19 Hg19 X16 82.73(7) 12_556 . ? X14 Hg19 X16 96.5(3) . . ? X5 Hg19 X16 88.5(3) . . ? X14 Hg19 X16 84.5(2) 12_556 . ? Hg19 Hg19 X17 83.16(8) 12_556 . ? X14 Hg19 X17 94.0(3) . . ? X5 Hg19 X17 89.7(4) . . ? X14 Hg19 X17 83.1(2) 12_556 . ? X16 Hg19 X17 165.88(13) . . ? Hg19 Hg19 Hg11 144.22(5) 12_556 . ? X14 Hg19 Hg11 76.0(3) . . ? X5 Hg19 Hg11 62.87(6) . . ? X14 Hg19 Hg11 173.9(2) 12_556 . ? X16 Hg19 Hg11 95.60(16) . . ? X17 Hg19 Hg11 96.0(2) . . ? Hg19 Hg19 Hg1 139.32(4) 12_556 . ? X14 Hg19 Hg1 55.2(2) . . ? X5 Hg19 Hg1 96.50(9) . . ? X14 Hg19 Hg1 131.73(18) 12_556 . ? X16 Hg19 Hg1 56.59(6) . . ? X17 Hg19 Hg1 137.52(11) . . ? Hg11 Hg19 Hg1 51.96(4) . . ? Hg19 Hg19 Hg8 139.18(4) 12_556 . ? X14 Hg19 Hg8 54.0(2) . . ? X5 Hg19 Hg8 96.62(9) . . ? X14 Hg19 Hg8 130.56(18) 12_556 . ? X16 Hg19 Hg8 138.09(10) . . ? X17 Hg19 Hg8 56.02(7) . . ? Hg11 Hg19 Hg8 52.22(4) . . ? Hg1 Hg19 Hg8 81.50(6) . . ? 18B X2 X8 72.6(13) . . ? 18B X2 18C 12.0(4) . 10_655 ? X8 X2 18C 69.7(7) . 10_655 ? 18B X2 18C 12.0(4) . . ? X8 X2 18C 69.7(7) . . ? 18C X2 18C 23.1(7) 10_655 . ? 18B X2 18B 23.0(10) . 3_556 ? X8 X2 18B 95.5(9) . 3_556 ? 18C X2 18B 28.5(5) 10_655 3_556 ? 18C X2 18B 28.5(5) . 3_556 ? 18B X2 X9 88.5(14) . . ? X8 X2 X9 15.9(5) . . ? 18C X2 X9 85.3(9) 10_655 . ? 18C X2 X9 85.3(9) . . ? 18B X2 X9 111.5(9) 3_556 . ? 18B X2 X2 65.0(15) . 3_556 ? X8 X2 X2 137.6(8) . 3_556 ? 18C X2 X2 68.8(9) 10_655 3_556 ? 18C X2 X2 68.8(9) . 3_556 ? 18B X2 X2 42.1(8) 3_556 3_556 ? X9 X2 X2 153.6(6) . 3_556 ? 18B X2 18C 17.3(7) . 12_556 ? X8 X2 18C 87.1(10) . 12_556 ? 18C X2 18C 27.6(7) 10_655 12_556 ? 18C X2 18C 17.5(10) . 12_556 ? 18B X2 18C 12.8(5) 3_556 12_556 ? X9 X2 18C 102.8(10) . 12_556 ? X2 X2 18C 51.3(9) 3_556 12_556 ? 18B X2 18C 17.3(7) . 3_556 ? X8 X2 18C 87.1(10) . 3_556 ? 18C X2 18C 17.5(10) 10_655 3_556 ? 18C X2 18C 27.6(7) . 3_556 ? 18B X2 18C 12.8(5) 3_556 3_556 ? X9 X2 18C 102.8(10) . 3_556 ? X2 X2 18C 51.3(9) 3_556 3_556 ? 18C X2 18C 19.3(7) 12_556 3_556 ? 18B X2 18A 1.2(11) . . ? X8 X2 18A 73.7(7) . . ? 18C X2 18A 12.4(4) 10_655 . ? 18C X2 18A 12.4(4) . . ? 18B X2 18A 21.8(5) 3_556 . ? X9 X2 18A 89.7(7) . . ? X2 X2 18A 63.9(7) 3_556 . ? 18C X2 18A 16.3(4) 12_556 . ? 18C X2 18A 16.3(4) 3_556 . ? 18B X2 Hg2 131.2(19) . . ? X8 X2 Hg2 156.2(14) . . ? 18C X2 Hg2 133.4(14) 10_655 . ? 18C X2 Hg2 133.4(14) . . ? 18B X2 Hg2 108.3(12) 3_556 . ? X9 X2 Hg2 140.3(11) . . ? X2 X2 Hg2 66.2(6) 3_556 . ? 18C X2 Hg2 116.4(13) 12_556 . ? 18C X2 Hg2 116.4(13) 3_556 . ? 18A X2 Hg2 130.0(12) . . ? X1 X3 X17 156.6(13) . . ? X16 X4 X16 156.9(9) . 10_755 ? Hg19 X5 Hg19 17.29(14) 12_556 . ? Hg19 X5 Hg16 171.30(7) 12_556 . ? Hg19 X5 Hg16 171.30(7) . . ? X9 X8 X8 8.3(11) . 3 ? X9 X8 X2 129.3(13) . . ? X8 X8 X2 137.6(8) 3 . ? X9 X8 18B 178.6(15) . . ? X8 X8 18B 170.3(9) 3 . ? X2 X8 18B 52.1(12) . . ? X9 X8 18C 163.5(10) . 10_655 ? X8 X8 18C 156.7(5) 3 10_655 ? X2 X8 18C 63.6(10) . 10_655 ? 18B X8 18C 15.5(3) . 10_655 ? X9 X8 18C 163.5(10) . . ? X8 X8 18C 156.7(5) 3 . ? X2 X8 18C 63.6(10) . . ? 18B X8 18C 15.5(3) . . ? 18C X8 18C 22.0(7) 10_655 . ? X9 X8 18A 161.5(12) . . ? X8 X8 18A 153.2(3) 3 . ? X2 X8 18A 69.2(9) . . ? 18B X8 18A 17.1(10) . . ? 18C X8 18A 12.6(2) 10_655 . ? 18C X8 18A 12.6(2) . . ? X8 X9 X8 163(2) 3 . ? X8 X9 X2 161.8(14) 3 . ? X8 X9 X2 34.7(9) . . ? X8 X9 X2 34.7(9) 3 3 ? X8 X9 X2 161.8(14) . 3 ? X2 X9 X2 127.1(12) . 3 ? X8 X9 18B 1.0(10) 3 3 ? X8 X9 18B 162.5(14) . 3 ? X2 X9 18B 162.8(10) . 3 ? X2 X9 18B 35.7(8) 3 3 ? X8 X9 18B 162.5(14) 3 . ? X8 X9 18B 1.0(10) . . ? X2 X9 18B 35.7(8) . . ? X2 X9 18B 162.8(10) 3 . ? 18B X9 18B 161.5(14) 3 . ? 18C X10 18C 17.8(8) . 12_556 ? X13 X11 18A 176(2) . . ? X13 X11 18C 162.2(19) . . ? 18A X11 18C 21.0(3) . . ? X13 X11 18C 162.2(19) . 12_556 ? 18A X11 18C 21.0(3) . 12_556 ? 18C X11 18C 22.6(8) . 12_556 ? X13 X11 18C 169.9(10) . 10_655 ? 18A X11 18C 9.2(4) . 10_655 ? 18C X11 18C 17.8(8) . 10_655 ? 18C X11 18C 27.2(6) 12_556 10_655 ? X13 X11 18C 169.9(10) . 3_556 ? 18A X11 18C 9.2(4) . 3_556 ? 18C X11 18C 27.2(6) . 3_556 ? 18C X11 18C 17.8(8) 12_556 3_556 ? 18C X11 18C 18.5(8) 10_655 3_556 ? X13 X11 18B 166.1(16) . . ? 18A X11 18B 16.7(4) . . ? 18C X11 18B 4.7(5) . . ? 18C X11 18B 22.2(4) 12_556 . ? 18C X11 18B 13.2(4) 10_655 . ? 18C X11 18B 23.7(4) 3_556 . ? X13 X11 18B 166.1(16) . 3_556 ? 18A X11 18B 16.7(4) . 3_556 ? 18C X11 18B 22.2(4) . 3_556 ? 18C X11 18B 4.7(5) 12_556 3_556 ? 18C X11 18B 23.7(4) 10_655 3_556 ? 18C X11 18B 13.2(4) 3_556 3_556 ? 18B X11 18B 20.7(11) . 3_556 ? X15 X12 X12 141.4(2) . 12_556 ? X15 X12 X15 122.2(3) . 8_655 ? X12 X12 X15 19.23(12) 12_556 8_655 ? X11 X13 18A 2.8(17) . . ? X11 X13 18C 12.9(15) . . ? 18A X13 18C 15.2(4) . . ? X11 X13 18C 12.9(15) . 12_556 ? 18A X13 18C 15.2(4) . 12_556 ? 18C X13 18C 16.5(7) . 12_556 ? Hg19 X14 Hg19 10.50(13) . 12_556 ? X12 X15 X12 179.996(2) 13_655 . ? X12 X15 X12 160.68(19) 13_655 12_556 ? X12 X15 X12 19.32(19) . 12_556 ? X12 X15 X12 19.32(19) 13_655 8_654 ? X12 X15 X12 160.68(19) . 8_654 ? X12 X15 X12 180.0(3) 12_556 8_654 ? X4 X16 Hg19 159.0(6) . 12_556 ? X4 X16 Hg19 159.0(6) . . ? Hg19 X16 Hg19 14.53(14) 12_556 . ? X3 X17 Hg19 162.3(9) . . ? X3 X17 Hg19 162.3(9) . 12_556 ? Hg19 X17 Hg19 13.70(16) . 12_556 ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 30.07 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 3.964 _refine_diff_density_min -2.106 _refine_diff_density_rms 0.329