data_p21c _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H3 As O6 Zn2' _chemical_formula_weight 304.68 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Zn' 'Zn' 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'As' 'As' 0.0499 2.0058 '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, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 12.8052(3) _cell_length_b 7.9249(2) _cell_length_c 10.2173(2) _cell_angle_alpha 90.00 _cell_angle_beta 104.4329(3) _cell_angle_gamma 90.00 _cell_volume 1004.13(4) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 4.031 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1152 _exptl_absorpt_coefficient_mu 16.043 _exptl_absorpt_correction_type ? _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 11330 _diffrn_reflns_av_R_equivalents 0.0123 _diffrn_reflns_av_sigmaI/netI 0.0106 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 1.64 _diffrn_reflns_theta_max 30.07 _reflns_number_total 2943 _reflns_number_gt 2844 _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^)+(0.0235P)^2^+1.1922P] 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 2943 _refine_ls_number_parameters 181 _refine_ls_number_restraints 6 _refine_ls_R_factor_all 0.0134 _refine_ls_R_factor_gt 0.0123 _refine_ls_wR_factor_ref 0.0501 _refine_ls_wR_factor_gt 0.0361 _refine_ls_goodness_of_fit_ref 1.335 _refine_ls_restrained_S_all 1.334 _refine_ls_shift/su_max 0.001 _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 As1 As 0.149626(17) 0.05491(3) 0.21980(2) 0.00768(6) Uani 1 1 d . . . As2 As 0.385286(17) 0.42165(3) 0.21410(2) 0.00770(6) Uani 1 1 d . . . Zn1 Zn 0.40327(2) 0.04976(3) 0.38962(3) 0.01127(6) Uani 1 1 d . . . Zn2 Zn 0.25255(2) 0.33083(3) 0.46242(3) 0.01033(6) Uani 1 1 d . . . Zn3 Zn 0.36202(2) 0.80578(3) 0.12765(3) 0.01284(6) Uani 1 1 d . . . Zn4 Zn 0.01007(2) 0.24192(4) 0.44038(3) 0.01313(7) Uani 1 1 d . . . O1 O 0.26801(14) 0.9532(2) 0.26147(18) 0.0127(3) Uani 1 1 d . . . O2 O 0.13880(13) 0.1602(2) 0.07322(16) 0.0121(3) Uani 1 1 d . . . O3 O 0.13303(13) 0.1895(2) 0.34154(17) 0.0128(3) Uani 1 1 d . . . O4 O 0.04897(14) 0.9126(2) 0.20262(17) 0.0131(3) Uani 1 1 d . . . O5 O 0.47910(13) 0.9513(2) 0.24071(17) 0.0131(3) Uani 1 1 d . . . O6 O 0.35330(14) 0.3422(2) 0.05675(16) 0.0141(3) Uani 1 1 d . . . O7 O 0.34595(14) 0.2901(2) 0.31982(17) 0.0120(3) Uani 1 1 d . . . O8 O 0.32021(15) 0.6062(2) 0.21800(18) 0.0157(3) Uani 1 1 d . . . O9 O 0.07895(17) 0.5313(3) 0.1396(2) 0.0238(4) Uani 1 1 d D . . O10 O 0.44584(14) 0.6626(2) 0.01455(17) 0.0118(3) Uani 1 1 d D . . O11 O 0.27353(14) 0.5767(2) 0.46950(17) 0.0119(3) Uani 1 1 d D . . O12 O 0.08807(16) 0.7338(3) 0.4346(2) 0.0219(4) Uani 1 1 d D . . H1 H 0.461(4) 0.748(4) -0.047(4) 0.050 Uiso 1 1 d D . . H2 H 0.267(4) 0.622(6) 0.379(2) 0.050 Uiso 1 1 d D . . H3 H 0.1576(4) 0.543(6) 0.163(5) 0.050 Uiso 1 1 d D . . H4 H 0.054(4) 0.467(5) 0.208(4) 0.050 Uiso 1 1 d D . . H5 H 0.060(4) 0.774(6) 0.3417(17) 0.050 Uiso 1 1 d D . . H6 H 0.150(2) 0.659(5) 0.444(5) 0.050 Uiso 1 1 d D . . 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 As1 0.00802(10) 0.00822(10) 0.00689(10) -0.00034(7) 0.00203(7) -0.00007(7) As2 0.00833(10) 0.00779(10) 0.00740(10) 0.00019(7) 0.00278(7) 0.00002(7) Zn1 0.01089(12) 0.01209(13) 0.01040(12) 0.00014(9) 0.00185(9) 0.00177(9) Zn2 0.01025(12) 0.00927(12) 0.01152(12) -0.00071(9) 0.00282(9) 0.00041(9) Zn3 0.01449(13) 0.01042(12) 0.01209(12) 0.00182(9) 0.00046(10) -0.00093(9) Zn4 0.01113(12) 0.01557(13) 0.01250(13) -0.00073(10) 0.00259(10) -0.00091(9) O1 0.0100(7) 0.0124(7) 0.0145(8) -0.0022(6) 0.0005(6) 0.0030(6) O2 0.0108(7) 0.0165(8) 0.0094(7) 0.0049(6) 0.0035(6) 0.0021(6) O3 0.0114(7) 0.0152(8) 0.0127(7) -0.0065(6) 0.0047(6) -0.0019(6) O4 0.0133(8) 0.0137(8) 0.0127(7) -0.0022(6) 0.0036(6) -0.0049(6) O5 0.0090(7) 0.0164(8) 0.0129(7) -0.0043(6) 0.0012(6) 0.0020(6) O6 0.0178(8) 0.0168(8) 0.0085(7) -0.0037(6) 0.0047(6) -0.0080(6) O7 0.0151(8) 0.0102(7) 0.0131(7) 0.0034(6) 0.0078(6) 0.0009(6) O8 0.0220(9) 0.0096(7) 0.0193(8) 0.0037(6) 0.0124(7) 0.0051(6) O9 0.0233(10) 0.0217(10) 0.0290(10) 0.0092(8) 0.0117(8) 0.0059(8) O10 0.0128(7) 0.0112(7) 0.0116(7) 0.0002(6) 0.0037(6) 0.0003(6) O11 0.0141(8) 0.0111(7) 0.0108(7) -0.0009(6) 0.0040(6) -0.0024(6) O12 0.0198(9) 0.0294(10) 0.0193(9) 0.0088(8) 0.0101(7) 0.0090(8) _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 As1 O1 1.6756(17) 1_545 ? As1 O4 1.6888(17) 1_545 ? As1 O2 1.6897(16) . ? As1 O3 1.6916(16) . ? As1 Zn4 3.3682(4) 2_545 ? As1 Zn4 3.3754(4) 4_565 ? As1 Zn4 3.5323(3) . ? As2 O7 1.6670(16) . ? As2 O6 1.6794(16) . ? As2 O8 1.6888(17) . ? As2 O5 1.6984(17) 2_645 ? Zn1 O1 2.0419(17) 1_545 ? Zn1 O10 2.1004(17) 4_566 ? Zn1 O7 2.1007(17) . ? Zn1 O10 2.1327(17) 2_645 ? Zn1 O6 2.1453(17) 4_566 ? Zn1 O5 2.1454(17) 1_545 ? Zn1 Zn1 3.0102(5) 3_656 ? Zn1 Zn2 3.1551(4) . ? Zn2 O6 1.9633(17) 4_566 ? Zn2 O11 1.9654(17) . ? Zn2 O3 2.0446(17) . ? Zn2 O2 2.0568(16) 4_566 ? Zn2 O7 2.1275(16) . ? Zn2 Zn4 3.1369(4) . ? Zn3 O11 1.9623(17) 4_575 ? Zn3 O8 1.9715(18) . ? Zn3 O5 2.0123(17) . ? Zn3 O10 2.0961(17) . ? Zn3 O1 2.3459(17) . ? Zn4 O4 1.9962(17) 2_545 ? Zn4 O2 2.0114(17) 4_566 ? Zn4 O12 2.0121(19) 3_566 ? Zn4 O9 2.071(2) 2_545 ? Zn4 O3 2.1129(16) . ? Zn4 O9 2.952(2) 4_566 ? Zn4 As1 3.3682(4) 2 ? Zn4 As1 3.3754(4) 4_566 ? Zn4 Zn4 4.0509(6) 3_556 ? Zn4 Zn4 4.2942(6) 3_566 ? Zn4 Zn4 5.11025(11) 4_566 ? Zn4 Zn4 5.11026(11) 4_565 ? O1 As1 1.6755(17) 1_565 ? O1 Zn1 2.0419(17) 1_565 ? O2 Zn4 2.0114(16) 4_565 ? O2 Zn2 2.0568(16) 4_565 ? O4 As1 1.6888(17) 1_565 ? O4 Zn4 1.9962(17) 2 ? O5 As2 1.6984(17) 2_655 ? O5 Zn1 2.1454(17) 1_565 ? O6 Zn2 1.9633(17) 4_565 ? O6 Zn1 2.1453(17) 4_565 ? O9 Zn4 2.071(2) 2 ? O9 Zn4 2.952(2) 4_565 ? O10 Zn1 2.1004(17) 4_565 ? O10 Zn1 2.1327(17) 2_655 ? O11 Zn3 1.9623(17) 4_576 ? O12 Zn4 2.0121(19) 3_566 ? 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 O1 As1 O4 108.89(9) 1_545 1_545 ? O1 As1 O2 109.39(8) 1_545 . ? O4 As1 O2 110.23(8) 1_545 . ? O1 As1 O3 112.83(8) 1_545 . ? O4 As1 O3 105.37(8) 1_545 . ? O2 As1 O3 110.04(9) . . ? O1 As1 Zn4 99.81(6) 1_545 2_545 ? O4 As1 Zn4 26.15(6) 1_545 2_545 ? O2 As1 Zn4 91.56(6) . 2_545 ? O3 As1 Zn4 130.49(6) . 2_545 ? O1 As1 Zn4 134.36(6) 1_545 4_565 ? O4 As1 Zn4 90.07(6) 1_545 4_565 ? O2 As1 Zn4 26.56(6) . 4_565 ? O3 As1 Zn4 100.61(6) . 4_565 ? Zn4 As1 Zn4 79.104(9) 2_545 4_565 ? O1 As1 Zn4 127.54(6) 1_545 . ? O4 As1 Zn4 81.50(6) 1_545 . ? O2 As1 Zn4 114.55(6) . . ? O3 As1 Zn4 24.50(6) . . ? Zn4 As1 Zn4 106.056(7) 2_545 . ? Zn4 As1 Zn4 95.401(7) 4_565 . ? O7 As2 O6 110.17(8) . . ? O7 As2 O8 107.21(8) . . ? O6 As2 O8 110.07(9) . . ? O7 As2 O5 111.35(8) . 2_645 ? O6 As2 O5 107.52(9) . 2_645 ? O8 As2 O5 110.54(9) . 2_645 ? O1 Zn1 O10 98.02(7) 1_545 4_566 ? O1 Zn1 O7 87.33(7) 1_545 . ? O10 Zn1 O7 161.52(7) 4_566 . ? O1 Zn1 O10 167.99(7) 1_545 2_645 ? O10 Zn1 O10 89.35(7) 4_566 2_645 ? O7 Zn1 O10 88.61(7) . 2_645 ? O1 Zn1 O6 106.64(7) 1_545 4_566 ? O10 Zn1 O6 85.39(6) 4_566 4_566 ? O7 Zn1 O6 76.13(6) . 4_566 ? O10 Zn1 O6 83.29(7) 2_645 4_566 ? O1 Zn1 O5 82.56(7) 1_545 1_545 ? O10 Zn1 O5 92.57(7) 4_566 1_545 ? O7 Zn1 O5 105.69(7) . 1_545 ? O10 Zn1 O5 87.68(6) 2_645 1_545 ? O6 Zn1 O5 170.76(7) 4_566 1_545 ? O1 Zn1 Zn1 142.22(5) 1_545 3_656 ? O10 Zn1 Zn1 45.11(5) 4_566 3_656 ? O7 Zn1 Zn1 130.13(5) . 3_656 ? O10 Zn1 Zn1 44.24(5) 2_645 3_656 ? O6 Zn1 Zn1 82.02(5) 4_566 3_656 ? O5 Zn1 Zn1 90.15(5) 1_545 3_656 ? O1 Zn1 Zn2 86.84(5) 1_545 . ? O10 Zn1 Zn2 120.25(5) 4_566 . ? O7 Zn1 Zn2 42.06(4) . . ? O10 Zn1 Zn2 97.66(5) 2_645 . ? O6 Zn1 Zn2 37.76(4) 4_566 . ? O5 Zn1 Zn2 146.66(5) 1_545 . ? Zn1 Zn1 Zn2 116.479(14) 3_656 . ? O6 Zn2 O11 127.40(8) 4_566 . ? O6 Zn2 O3 102.43(7) 4_566 . ? O11 Zn2 O3 129.80(7) . . ? O6 Zn2 O2 102.87(7) 4_566 4_566 ? O11 Zn2 O2 93.13(7) . 4_566 ? O3 Zn2 O2 79.93(6) . 4_566 ? O6 Zn2 O7 79.48(7) 4_566 . ? O11 Zn2 O7 94.63(7) . . ? O3 Zn2 O7 88.11(7) . . ? O2 Zn2 O7 168.04(7) 4_566 . ? O6 Zn2 Zn4 113.32(6) 4_566 . ? O11 Zn2 Zn4 110.43(5) . . ? O3 Zn2 Zn4 41.84(5) . . ? O2 Zn2 Zn4 39.03(5) 4_566 . ? O7 Zn2 Zn4 129.20(5) . . ? O6 Zn2 Zn1 42.00(5) 4_566 . ? O11 Zn2 Zn1 128.49(5) . . ? O3 Zn2 Zn1 83.14(5) . . ? O2 Zn2 Zn1 135.47(5) 4_566 . ? O7 Zn2 Zn1 41.41(5) . . ? Zn4 Zn2 Zn1 118.501(11) . . ? O11 Zn3 O8 126.73(8) 4_575 . ? O11 Zn3 O5 113.28(7) 4_575 . ? O8 Zn3 O5 116.20(8) . . ? O11 Zn3 O10 94.18(7) 4_575 . ? O8 Zn3 O10 93.44(7) . . ? O5 Zn3 O10 102.49(7) . . ? O11 Zn3 O1 88.20(6) 4_575 . ? O8 Zn3 O1 83.56(7) . . ? O5 Zn3 O1 78.30(6) . . ? O10 Zn3 O1 176.92(6) . . ? O4 Zn4 O2 109.26(7) 2_545 4_566 ? O4 Zn4 O12 102.56(8) 2_545 3_566 ? O2 Zn4 O12 94.08(8) 4_566 3_566 ? O4 Zn4 O9 100.74(9) 2_545 2_545 ? O2 Zn4 O9 148.76(8) 4_566 2_545 ? O12 Zn4 O9 87.62(9) 3_566 2_545 ? O4 Zn4 O3 88.55(7) 2_545 . ? O2 Zn4 O3 79.36(6) 4_566 . ? O12 Zn4 O3 168.53(8) 3_566 . ? O9 Zn4 O3 93.16(7) 2_545 . ? O4 Zn4 O9 174.38(7) 2_545 4_566 ? O2 Zn4 O9 76.33(6) 4_566 4_566 ? O12 Zn4 O9 76.05(7) 3_566 4_566 ? O9 Zn4 O9 73.83(9) 2_545 4_566 ? O3 Zn4 O9 93.17(6) . 4_566 ? O4 Zn4 Zn2 95.04(5) 2_545 . ? O2 Zn4 Zn2 40.08(5) 4_566 . ? O12 Zn4 Zn2 134.16(7) 3_566 . ? O9 Zn4 Zn2 130.31(6) 2_545 . ? O3 Zn4 Zn2 40.20(5) . . ? O9 Zn4 Zn2 89.71(4) 4_566 . ? O4 Zn4 As1 21.89(5) 2_545 2 ? O2 Zn4 As1 109.88(5) 4_566 2 ? O12 Zn4 As1 80.70(6) 3_566 2 ? O9 Zn4 As1 101.19(7) 2_545 2 ? O3 Zn4 As1 110.31(5) . 2 ? O9 Zn4 As1 156.36(4) 4_566 2 ? Zn2 Zn4 As1 109.857(10) . 2 ? O4 Zn4 As1 108.66(5) 2_545 4_566 ? O2 Zn4 As1 22.06(5) 4_566 4_566 ? O12 Zn4 As1 72.55(7) 3_566 4_566 ? O9 Zn4 As1 147.31(6) 2_545 4_566 ? O3 Zn4 As1 101.39(5) . 4_566 ? O9 Zn4 As1 76.25(4) 4_566 4_566 ? Zn2 Zn4 As1 61.720(8) . 4_566 ? As1 Zn4 As1 100.896(9) 2 4_566 ? O4 Zn4 As1 88.67(5) 2_545 . ? O2 Zn4 As1 97.61(5) 4_566 . ? O12 Zn4 As1 160.15(7) 3_566 . ? O9 Zn4 As1 74.11(6) 2_545 . ? O3 Zn4 As1 19.39(5) . . ? O9 Zn4 As1 91.18(4) 4_566 . ? Zn2 Zn4 As1 59.396(8) . . ? As1 Zn4 As1 109.961(8) 2 . ? As1 Zn4 As1 119.631(10) 4_566 . ? O4 Zn4 Zn4 145.14(5) 2_545 3_556 ? O2 Zn4 Zn4 105.37(5) 4_566 3_556 ? O12 Zn4 Zn4 78.64(6) 3_566 3_556 ? O9 Zn4 Zn4 44.42(7) 2_545 3_556 ? O3 Zn4 Zn4 93.93(5) . 3_556 ? O9 Zn4 Zn4 29.41(4) 4_566 3_556 ? Zn2 Zn4 Zn4 109.094(12) . 3_556 ? As1 Zn4 Zn4 140.063(12) 2 3_556 ? As1 Zn4 Zn4 104.900(11) 4_566 3_556 ? As1 Zn4 Zn4 82.819(9) . 3_556 ? O4 Zn4 Zn4 61.56(5) 2_545 3_566 ? O2 Zn4 Zn4 62.50(5) 4_566 3_566 ? O12 Zn4 Zn4 68.75(7) 3_566 3_566 ? O9 Zn4 Zn4 144.46(6) 2_545 3_566 ? O3 Zn4 Zn4 115.31(5) . 3_566 ? O9 Zn4 Zn4 122.12(4) 4_566 3_566 ? Zn2 Zn4 Zn4 83.916(10) . 3_566 ? As1 Zn4 Zn4 50.522(7) 2 3_566 ? As1 Zn4 Zn4 50.374(7) 4_566 3_566 ? As1 Zn4 Zn4 131.025(11) . 3_566 ? Zn4 Zn4 Zn4 143.468(14) 3_556 3_566 ? O4 Zn4 Zn4 128.34(5) 2_545 4_566 ? O2 Zn4 Zn4 61.31(5) 4_566 4_566 ? O12 Zn4 Zn4 37.56(6) 3_566 4_566 ? O9 Zn4 Zn4 106.12(6) 2_545 4_566 ? O3 Zn4 Zn4 131.95(5) . 4_566 ? O9 Zn4 Zn4 53.37(4) 4_566 4_566 ? Zn2 Zn4 Zn4 99.744(7) . 4_566 ? As1 Zn4 Zn4 108.423(9) 2 4_566 ? As1 Zn4 Zn4 43.483(6) 4_566 4_566 ? As1 Zn4 Zn4 140.753(8) . 4_566 ? Zn4 Zn4 Zn4 72.976(8) 3_556 4_566 ? Zn4 Zn4 Zn4 71.189(8) 3_566 4_566 ? O4 Zn4 Zn4 49.13(5) 2_545 4_565 ? O2 Zn4 Zn4 117.43(5) 4_566 4_565 ? O12 Zn4 Zn4 141.99(6) 3_566 4_565 ? O9 Zn4 Zn4 76.27(6) 2_545 4_565 ? O3 Zn4 Zn4 48.81(5) . 4_565 ? O9 Zn4 Zn4 129.30(4) 4_566 4_565 ? Zn2 Zn4 Zn4 79.600(7) . 4_565 ? As1 Zn4 Zn4 69.332(7) 2 4_565 ? As1 Zn4 Zn4 134.560(9) 4_566 4_565 ? As1 Zn4 Zn4 41.116(6) . 4_565 ? Zn4 Zn4 Zn4 109.891(12) 3_556 4_565 ? Zn4 Zn4 Zn4 105.943(11) 3_566 4_565 ? Zn4 Zn4 Zn4 177.127(13) 4_566 4_565 ? As1 O1 Zn1 123.48(9) 1_565 1_565 ? As1 O1 Zn3 130.90(9) 1_565 . ? Zn1 O1 Zn3 94.81(7) 1_565 . ? As1 O2 Zn4 131.37(9) . 4_565 ? As1 O2 Zn2 126.30(9) . 4_565 ? Zn4 O2 Zn2 100.89(7) 4_565 4_565 ? As1 O3 Zn2 125.26(9) . . ? As1 O3 Zn4 136.10(9) . . ? Zn2 O3 Zn4 97.95(7) . . ? As1 O4 Zn4 131.96(10) 1_565 2 ? As2 O5 Zn3 129.92(10) 2_655 . ? As2 O5 Zn1 118.06(9) 2_655 1_565 ? Zn3 O5 Zn1 102.20(7) . 1_565 ? As2 O6 Zn2 134.86(10) . 4_565 ? As2 O6 Zn1 124.23(9) . 4_565 ? Zn2 O6 Zn1 100.24(7) 4_565 4_565 ? As2 O7 Zn1 130.59(9) . . ? As2 O7 Zn2 131.37(10) . . ? Zn1 O7 Zn2 96.52(7) . . ? As2 O8 Zn3 119.38(9) . . ? Zn4 O9 Zn4 106.17(9) 2 4_565 ? Zn3 O10 Zn1 132.67(8) . 4_565 ? Zn3 O10 Zn1 120.24(8) . 2_655 ? Zn1 O10 Zn1 90.65(7) 4_565 2_655 ? Zn3 O11 Zn2 123.12(9) 4_576 . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O11 H2 O8 0.9799(10) 1.93(3) 2.789(2) 145(4) . O9 H3 O8 0.9798(11) 2.078(8) 3.050(3) 171(4) . O9 H4 O4 0.9799(10) 1.83(2) 2.735(3) 152(4) 2_545 O12 H5 O4 0.9800(10) 1.77(2) 2.699(3) 156(4) . O12 H6 O11 0.9799(10) 1.666(12) 2.626(3) 165(4) . _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 30.07 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.648 _refine_diff_density_min -0.461 _refine_diff_density_rms 0.131