data_cuaso4-3-ondr-plat _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H50 As10 Cu13 O63' _chemical_formula_weight 2633.62 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' 'Cu' 'Cu' 0.3201 1.2651 '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 triclinic _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 6.42400(10) _cell_length_b 14.3700(3) _cell_length_c 16.5590(3) _cell_angle_alpha 102.8820(13) _cell_angle_beta 101.0360(12) _cell_angle_gamma 98.0220(11) _cell_volume 1435.81(5) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 33394 _cell_measurement_theta_min 1 _cell_measurement_theta_max 29 _exptl_crystal_description bar _exptl_crystal_colour green _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.075 _exptl_crystal_size_min 0.027 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 3.046 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1261 _exptl_absorpt_coefficient_mu 10.560 _exptl_absorpt_correction_type multiscan _exptl_absorpt_correction_T_min 0.626 _exptl_absorpt_correction_T_max 0.908 _exptl_absorpt_process_details '(PLATON, Speck)' _exptl_special_details ; ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71070 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD area detector' _diffrn_measurement_method '\f and \w scans to fill the Ewald sphere' _diffrn_detector_area_resol_mean 9.091 _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 44253 _diffrn_reflns_av_R_equivalents 0.0541 _diffrn_reflns_av_sigmaI/netI 0.0386 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.59 _diffrn_reflns_theta_max 29.12 _reflns_number_total 7721 _reflns_number_gt 6613 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)' _computing_cell_refinement 'COLLECT and DENZO' _computing_data_reduction 'COLLECT and DENZO' _computing_structure_solution 'SIR92 (Altomare et al., 1994)' _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^)+(0.0629P)^2^+11.3562P] 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 SHELXL _refine_ls_extinction_coef 0.0020(3) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 7721 _refine_ls_number_parameters 402 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0533 _refine_ls_R_factor_gt 0.0437 _refine_ls_wR_factor_ref 0.1230 _refine_ls_wR_factor_gt 0.1173 _refine_ls_goodness_of_fit_ref 1.043 _refine_ls_restrained_S_all 1.043 _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 0.62686(8) 0.40379(4) 0.04914(3) 0.01364(12) Uani 1 1 d . . . O11 O 0.8317(6) 0.4510(3) 0.0106(2) 0.0152(7) Uani 1 1 d . . . O12 O 0.6708(7) 0.2956(3) 0.0638(3) 0.0213(8) Uani 1 1 d . . . O13 O 0.6115(6) 0.4773(3) 0.1413(3) 0.0194(8) Uani 1 1 d . . . O14 O 0.3898(6) 0.3904(3) -0.0220(2) 0.0181(8) Uani 1 1 d . . . As2 As 0.20616(8) 0.62084(4) 0.18253(3) 0.01503(13) Uani 1 1 d . . . O21 O 0.2302(8) 0.6700(4) 0.2904(3) 0.0307(10) Uani 1 1 d . . . O22 O -0.0202(6) 0.6456(3) 0.1312(2) 0.0168(8) Uani 1 1 d . . . O23 O 0.2011(7) 0.5019(3) 0.1653(3) 0.0227(8) Uani 1 1 d . . . O24 O 0.4155(6) 0.6821(3) 0.1577(3) 0.0184(8) Uani 1 1 d . . . As3 As 0.99458(8) 0.89560(4) 0.16282(3) 0.01501(13) Uani 1 1 d . . . O31 O 1.0095(7) 0.8755(3) 0.0602(2) 0.0208(8) Uani 1 1 d . . . O32 O 1.2245(6) 0.8691(3) 0.2166(2) 0.0170(7) Uani 1 1 d . . . O33 O 0.9920(8) 1.0142(3) 0.1991(3) 0.0271(9) Uani 1 1 d . . . O34 O 0.7750(6) 0.8225(3) 0.1697(3) 0.0204(8) Uani 1 1 d . . . As4 As 0.78782(8) 0.80345(4) 0.33903(3) 0.01419(13) Uani 1 1 d . . . O41 O 0.7596(7) 0.7923(3) 0.4382(3) 0.0230(9) Uani 1 1 d . . . O42 O 0.7921(7) 0.6917(3) 0.2817(3) 0.0204(8) Uani 1 1 d . . . O43 O 1.0141(6) 0.8822(3) 0.3510(2) 0.0179(8) Uani 1 1 d . . . O44 O 0.5744(6) 0.8523(3) 0.3037(2) 0.0153(7) Uani 1 1 d . . . As5 As 0.63285(8) 1.09735(4) 0.45695(3) 0.01334(12) Uani 1 1 d . . . O51 O 0.6942(7) 1.1659(3) 0.3924(3) 0.0215(8) Uani 1 1 d . . . O52 O 0.6227(6) 1.1698(3) 0.5516(2) 0.0184(8) Uani 1 1 d . . . O53 O 0.8264(6) 1.0278(3) 0.4680(2) 0.0151(7) Uani 1 1 d . . . O54 O 0.3919(6) 1.0236(3) 0.4115(2) 0.0178(8) Uani 1 1 d . . . Cu1 Cu 0.41461(12) 0.42842(6) 0.20614(5) 0.02280(17) Uani 1 1 d . . . Cu2 Cu 0.12578(10) 0.42043(5) 0.01258(4) 0.01585(15) Uani 1 1 d . . . Cu3 Cu 0.69605(10) 0.65150(5) 0.15208(4) 0.01610(15) Uani 1 1 d . . . Cu4 Cu 0.29739(10) 0.86071(5) 0.33729(4) 0.01598(15) Uani 1 1 d . . . Cu5 Cu 1.11363(10) 1.03619(5) 0.43914(4) 0.01539(15) Uani 1 1 d . . . Cu6 Cu 0.49273(10) 0.84667(5) 0.18181(4) 0.01634(15) Uani 1 1 d . . . Cu7 Cu 0.5000 1.0000 0.0000 0.0408(3) Uani 1 2 d S . . O1W O 0.2142(9) 0.3729(4) 0.2666(4) 0.0434(13) Uani 1 1 d . . . O2W O 0.5648(9) 0.3157(4) 0.2133(3) 0.0380(12) Uani 1 1 d . . . O3W O 0.6186(9) 0.5332(4) 0.3272(3) 0.0381(12) Uani 1 1 d . . . O4W O 0.0873(7) 0.3037(3) 0.0547(3) 0.0221(8) Uani 1 1 d . . . O5W O 1.0471(7) 1.1133(3) 0.3579(3) 0.0231(9) Uani 1 1 d . . . O6W O 0.6738(10) 1.0762(5) 0.1108(4) 0.0508(15) Uani 1 1 d . . . O7W O 0.2486(10) 1.0460(5) 0.0336(4) 0.0512(15) Uani 1 1 d . . . O8W O 0.3739(12) 0.2818(6) 0.3877(5) 0.0636(19) Uani 1 1 d . . . O9W O 0.4334(12) 0.1265(6) 0.2293(4) 0.0616(18) Uani 1 1 d . . . O10W O 0.4077(7) 0.8592(3) 0.0649(3) 0.0210(8) Uani 1 1 d . . . O11W O 0.999(2) 0.4655(11) 0.3746(9) 0.054(3) Uani 0.50 1 d P . . O12W O 0.977(2) 0.3433(9) 0.4825(9) 0.055(3) Uani 0.50 1 d P . . O13W O 0.408(3) 0.5941(16) 0.4533(14) 0.034(3) Uiso 0.25 1 d P . . O14W O 0.459(3) 0.5629(16) 0.4698(14) 0.034(3) Uiso 0.25 1 d P . . 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 0.0101(2) 0.0164(3) 0.0147(2) 0.00283(19) 0.00408(18) 0.00329(19) O11 0.0099(16) 0.0174(18) 0.0196(18) 0.0044(14) 0.0062(14) 0.0038(14) O12 0.020(2) 0.020(2) 0.027(2) 0.0076(16) 0.0076(16) 0.0068(16) O13 0.0180(19) 0.021(2) 0.0184(19) 0.0009(15) 0.0078(15) 0.0028(15) O14 0.0123(17) 0.023(2) 0.0165(18) 0.0017(15) 0.0019(14) 0.0037(15) As2 0.0099(2) 0.0187(3) 0.0155(3) 0.0019(2) 0.00270(19) 0.00386(19) O21 0.035(3) 0.039(3) 0.015(2) 0.0007(18) 0.0051(18) 0.009(2) O22 0.0107(17) 0.0210(19) 0.0173(18) 0.0005(15) 0.0023(14) 0.0068(14) O23 0.021(2) 0.0176(19) 0.027(2) 0.0035(16) 0.0030(17) 0.0047(16) O24 0.0086(16) 0.0182(19) 0.025(2) 0.0001(15) 0.0046(14) 0.0002(14) As3 0.0109(2) 0.0204(3) 0.0145(3) 0.0042(2) 0.00289(19) 0.0060(2) O31 0.0190(19) 0.031(2) 0.0143(18) 0.0056(16) 0.0037(15) 0.0115(17) O32 0.0098(16) 0.026(2) 0.0140(17) 0.0041(15) 0.0009(13) 0.0053(15) O33 0.031(2) 0.023(2) 0.027(2) 0.0038(17) 0.0031(18) 0.0123(18) O34 0.0095(17) 0.026(2) 0.024(2) 0.0024(16) 0.0047(15) 0.0035(15) As4 0.0094(2) 0.0180(3) 0.0141(2) 0.00158(19) 0.00243(18) 0.00388(19) O41 0.023(2) 0.036(2) 0.0143(18) 0.0090(17) 0.0071(16) 0.0125(18) O42 0.021(2) 0.0199(19) 0.0193(19) 0.0013(15) 0.0067(16) 0.0051(16) O43 0.0103(17) 0.0206(19) 0.0186(18) -0.0016(15) 0.0017(14) 0.0016(14) O44 0.0102(16) 0.0209(19) 0.0146(17) 0.0026(14) 0.0026(13) 0.0061(14) As5 0.0093(2) 0.0176(3) 0.0131(2) 0.00289(19) 0.00277(18) 0.00416(19) O51 0.021(2) 0.026(2) 0.023(2) 0.0118(17) 0.0090(16) 0.0065(16) O52 0.0184(19) 0.023(2) 0.0143(18) 0.0028(15) 0.0044(15) 0.0082(16) O53 0.0114(16) 0.0215(19) 0.0149(17) 0.0053(14) 0.0054(13) 0.0071(14) O54 0.0075(16) 0.0210(19) 0.0199(19) -0.0018(15) 0.0011(14) 0.0006(14) Cu1 0.0253(4) 0.0253(4) 0.0230(4) 0.0097(3) 0.0106(3) 0.0094(3) Cu2 0.0111(3) 0.0171(3) 0.0201(3) 0.0039(2) 0.0056(2) 0.0042(2) Cu3 0.0100(3) 0.0211(3) 0.0154(3) 0.0001(2) 0.0030(2) 0.0044(2) Cu4 0.0104(3) 0.0240(3) 0.0135(3) 0.0030(2) 0.0032(2) 0.0056(2) Cu5 0.0103(3) 0.0209(3) 0.0162(3) 0.0052(3) 0.0041(2) 0.0054(2) Cu6 0.0106(3) 0.0248(3) 0.0144(3) 0.0047(3) 0.0035(2) 0.0055(2) Cu7 0.0373(7) 0.0468(8) 0.0385(7) 0.0113(6) 0.0054(6) 0.0128(6) O1W 0.043(3) 0.051(3) 0.054(3) 0.030(3) 0.029(3) 0.014(3) O2W 0.048(3) 0.041(3) 0.041(3) 0.022(2) 0.023(2) 0.024(2) O3W 0.045(3) 0.038(3) 0.029(3) 0.005(2) 0.009(2) 0.003(2) O4W 0.020(2) 0.021(2) 0.025(2) 0.0053(17) 0.0064(16) 0.0047(16) O5W 0.023(2) 0.029(2) 0.023(2) 0.0116(17) 0.0096(17) 0.0104(17) O6W 0.051(4) 0.053(4) 0.041(3) 0.006(3) -0.003(3) 0.017(3) O7W 0.051(4) 0.063(4) 0.051(4) 0.025(3) 0.016(3) 0.027(3) O8W 0.061(4) 0.071(5) 0.071(5) 0.039(4) 0.016(4) 0.019(4) O9W 0.066(4) 0.073(5) 0.048(4) 0.020(3) 0.018(3) 0.007(4) O10W 0.0192(19) 0.027(2) 0.0179(19) 0.0059(16) 0.0063(15) 0.0057(16) O11W 0.041(6) 0.078(9) 0.055(7) 0.020(7) 0.019(6) 0.034(6) O12W 0.055(8) 0.033(6) 0.062(8) 0.011(6) -0.002(6) -0.011(5) _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 O12 1.680(4) . ? As1 O13 1.680(4) . ? As1 O11 1.693(4) . ? As1 O14 1.696(4) . ? O11 Cu2 1.962(4) 2_665 ? O11 Cu2 1.994(4) 1_655 ? O13 Cu1 1.963(4) . ? O14 Cu2 1.964(4) . ? O14 Cu3 2.044(4) 2_665 ? As2 O23 1.664(4) . ? As2 O22 1.664(4) . ? As2 O24 1.672(4) . ? As2 O21 1.737(4) . ? O22 Cu3 1.929(4) 1_455 ? O22 Cu2 2.286(4) 2_565 ? O23 Cu1 1.954(4) . ? O24 Cu3 1.928(4) . ? O24 Cu6 2.275(4) . ? As3 O34 1.675(4) . ? As3 O33 1.680(4) . ? As3 O31 1.683(4) . ? As3 O32 1.710(4) . ? O32 Cu6 1.964(4) 1_655 ? O32 Cu4 1.999(4) 1_655 ? O34 Cu6 1.932(4) . ? O34 Cu3 2.379(4) . ? As4 O43 1.662(4) . ? As4 O42 1.680(4) . ? As4 O44 1.691(4) . ? As4 O41 1.725(4) . ? O42 Cu3 2.041(4) . ? O43 Cu4 1.934(4) 1_655 ? O43 Cu5 2.290(4) . ? O44 Cu6 1.966(4) . ? O44 Cu4 1.975(4) . ? As5 O51 1.670(4) . ? As5 O54 1.681(4) . ? As5 O52 1.696(4) . ? As5 O53 1.708(4) . ? O52 Cu4 1.975(4) 2_676 ? O53 Cu5 1.965(4) 2_776 ? O53 Cu5 1.987(4) . ? O54 Cu5 1.950(4) 1_455 ? O54 Cu4 2.323(4) . ? Cu1 O1W 1.964(5) . ? Cu1 O2W 2.012(5) . ? Cu1 O3W 2.258(5) . ? Cu2 O4W 1.957(4) . ? Cu2 O11 1.962(4) 2_665 ? Cu2 O11 1.994(4) 1_455 ? Cu2 O22 2.286(4) 2_565 ? Cu2 Cu2 3.0355(13) 2_565 ? Cu3 O22 1.929(4) 1_655 ? Cu3 O14 2.044(4) 2_665 ? Cu4 O43 1.934(4) 1_455 ? Cu4 O52 1.975(4) 2_676 ? Cu4 O32 1.998(4) 1_455 ? Cu4 Cu6 3.0528(9) . ? Cu5 O5W 1.949(4) . ? Cu5 O54 1.950(4) 1_655 ? Cu5 O53 1.965(4) 2_776 ? Cu5 Cu5 2.9853(13) 2_776 ? Cu6 O10W 1.963(4) . ? Cu6 O32 1.964(4) 1_455 ? Cu7 O6W 1.947(6) . ? Cu7 O6W 1.947(6) 2_675 ? Cu7 O7W 1.958(6) . ? Cu7 O7W 1.958(6) 2_675 ? O13W O14W 0.67(2) . ? 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 O12 As1 O13 110.1(2) . . ? O12 As1 O11 107.72(19) . . ? O13 As1 O11 111.65(19) . . ? O12 As1 O14 110.6(2) . . ? O13 As1 O14 107.66(19) . . ? O11 As1 O14 109.12(19) . . ? As1 O11 Cu2 125.8(2) . 2_665 ? As1 O11 Cu2 131.2(2) . 1_655 ? Cu2 O11 Cu2 100.22(16) 2_665 1_655 ? As1 O13 Cu1 118.5(2) . . ? As1 O14 Cu2 122.6(2) . . ? As1 O14 Cu3 132.6(2) . 2_665 ? Cu2 O14 Cu3 104.75(17) . 2_665 ? O23 As2 O22 112.3(2) . . ? O23 As2 O24 114.1(2) . . ? O22 As2 O24 108.4(2) . . ? O23 As2 O21 108.9(2) . . ? O22 As2 O21 106.9(2) . . ? O24 As2 O21 105.8(2) . . ? As2 O22 Cu3 135.4(2) . 1_455 ? As2 O22 Cu2 117.37(19) . 2_565 ? Cu3 O22 Cu2 97.40(15) 1_455 2_565 ? As2 O23 Cu1 131.6(2) . . ? As2 O24 Cu3 130.2(2) . . ? As2 O24 Cu6 124.5(2) . . ? Cu3 O24 Cu6 100.35(16) . . ? O34 As3 O33 113.1(2) . . ? O34 As3 O31 109.0(2) . . ? O33 As3 O31 107.9(2) . . ? O34 As3 O32 110.7(2) . . ? O33 As3 O32 109.2(2) . . ? O31 As3 O32 106.54(19) . . ? As3 O32 Cu6 130.9(2) . 1_655 ? As3 O32 Cu4 128.2(2) . 1_655 ? Cu6 O32 Cu4 100.80(16) 1_655 1_655 ? As3 O34 Cu6 131.6(2) . . ? As3 O34 Cu3 131.3(2) . . ? Cu6 O34 Cu3 96.72(16) . . ? O43 As4 O42 112.5(2) . . ? O43 As4 O44 108.89(19) . . ? O42 As4 O44 115.55(19) . . ? O43 As4 O41 108.6(2) . . ? O42 As4 O41 106.7(2) . . ? O44 As4 O41 103.97(19) . . ? As4 O42 Cu3 122.1(2) . . ? As4 O43 Cu4 130.6(2) . 1_655 ? As4 O43 Cu5 126.7(2) . . ? Cu4 O43 Cu5 98.49(16) 1_655 . ? As4 O44 Cu6 118.7(2) . . ? As4 O44 Cu4 132.9(2) . . ? Cu6 O44 Cu4 101.55(16) . . ? O51 As5 O54 109.2(2) . . ? O51 As5 O52 109.7(2) . . ? O54 As5 O52 109.81(19) . . ? O51 As5 O53 107.18(19) . . ? O54 As5 O53 108.82(19) . . ? O52 As5 O53 112.07(18) . . ? As5 O52 Cu4 124.8(2) . 2_676 ? As5 O53 Cu5 124.3(2) . 2_776 ? As5 O53 Cu5 131.7(2) . . ? Cu5 O53 Cu5 98.11(16) 2_776 . ? As5 O54 Cu5 128.1(2) . 1_455 ? As5 O54 Cu4 132.0(2) . . ? Cu5 O54 Cu4 96.94(15) 1_455 . ? O23 Cu1 O13 91.19(18) . . ? O23 Cu1 O1W 89.6(2) . . ? O13 Cu1 O1W 177.0(2) . . ? O23 Cu1 O2W 159.4(2) . . ? O13 Cu1 O2W 91.28(19) . . ? O1W Cu1 O2W 86.9(2) . . ? O23 Cu1 O3W 103.34(19) . . ? O13 Cu1 O3W 90.02(18) . . ? O1W Cu1 O3W 92.6(2) . . ? O2W Cu1 O3W 97.1(2) . . ? O4W Cu2 O11 170.73(17) . 2_665 ? O4W Cu2 O14 91.71(17) . . ? O11 Cu2 O14 92.69(16) 2_665 . ? O4W Cu2 O11 98.11(17) . 1_455 ? O11 Cu2 O11 79.78(16) 2_665 1_455 ? O14 Cu2 O11 162.51(16) . 1_455 ? O4W Cu2 O22 101.06(16) . 2_565 ? O11 Cu2 O22 87.96(15) 2_665 2_565 ? O14 Cu2 O22 75.08(15) . 2_565 ? O11 Cu2 O22 88.79(14) 1_455 2_565 ? O4W Cu2 Cu2 136.93(13) . 2_565 ? O11 Cu2 Cu2 40.28(11) 2_665 2_565 ? O14 Cu2 Cu2 131.07(13) . 2_565 ? O11 Cu2 Cu2 39.50(11) 1_455 2_565 ? O22 Cu2 Cu2 87.89(10) 2_565 2_565 ? O24 Cu3 O22 165.72(18) . 1_655 ? O24 Cu3 O42 90.63(17) . . ? O22 Cu3 O42 96.25(16) 1_655 . ? O24 Cu3 O14 91.43(16) . 2_665 ? O22 Cu3 O14 81.78(16) 1_655 2_665 ? O42 Cu3 O14 177.92(16) . 2_665 ? O24 Cu3 O34 80.05(15) . . ? O22 Cu3 O34 88.46(15) 1_655 . ? O42 Cu3 O34 82.29(16) . . ? O14 Cu3 O34 98.25(16) 2_665 . ? O43 Cu4 O44 167.95(17) 1_455 . ? O43 Cu4 O52 94.09(17) 1_455 2_676 ? O44 Cu4 O52 97.60(16) . 2_676 ? O43 Cu4 O32 90.86(16) 1_455 1_455 ? O44 Cu4 O32 78.03(15) . 1_455 ? O52 Cu4 O32 170.33(17) 2_676 1_455 ? O43 Cu4 O54 81.50(15) 1_455 . ? O44 Cu4 O54 96.12(15) . . ? O52 Cu4 O54 86.99(16) 2_676 . ? O32 Cu4 O54 101.98(16) 1_455 . ? O43 Cu4 Cu6 130.03(12) 1_455 . ? O44 Cu4 Cu6 39.12(11) . . ? O52 Cu4 Cu6 135.09(12) 2_676 . ? O32 Cu4 Cu6 39.18(11) 1_455 . ? O54 Cu4 Cu6 105.25(10) . . ? O5W Cu5 O54 92.32(18) . 1_655 ? O5W Cu5 O53 172.62(17) . 2_776 ? O54 Cu5 O53 92.00(16) 1_655 2_776 ? O5W Cu5 O53 94.44(17) . . ? O54 Cu5 O53 171.20(17) 1_655 . ? O53 Cu5 O53 81.89(16) 2_776 . ? O5W Cu5 O43 100.80(17) . . ? O54 Cu5 O43 82.03(15) 1_655 . ? O53 Cu5 O43 85.73(16) 2_776 . ? O53 Cu5 O43 91.16(15) . . ? O5W Cu5 Cu5 134.78(13) . 2_776 ? O54 Cu5 Cu5 132.90(13) 1_655 2_776 ? O53 Cu5 Cu5 41.22(11) 2_776 2_776 ? O53 Cu5 Cu5 40.67(11) . 2_776 ? O43 Cu5 Cu5 87.96(11) . 2_776 ? O34 Cu6 O10W 93.43(17) . . ? O34 Cu6 O32 168.97(17) . 1_455 ? O10W Cu6 O32 97.61(16) . 1_455 ? O34 Cu6 O44 89.96(17) . . ? O10W Cu6 O44 172.42(17) . . ? O32 Cu6 O44 79.06(15) 1_455 . ? O34 Cu6 O24 82.70(16) . . ? O10W Cu6 O24 100.04(17) . . ? O32 Cu6 O24 95.50(15) 1_455 . ? O44 Cu6 O24 87.11(16) . . ? O34 Cu6 Cu4 128.95(13) . . ? O10W Cu6 Cu4 137.61(12) . . ? O32 Cu6 Cu4 40.02(11) 1_455 . ? O44 Cu6 Cu4 39.32(11) . . ? O24 Cu6 Cu4 88.01(10) . . ? O6W Cu7 O6W 179.999(2) . 2_675 ? O6W Cu7 O7W 88.1(3) . . ? O6W Cu7 O7W 91.9(3) 2_675 . ? O6W Cu7 O7W 91.9(3) . 2_675 ? O6W Cu7 O7W 88.1(3) 2_675 2_675 ? O7W Cu7 O7W 179.999(1) . 2_675 ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 29.12 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 4.249 _refine_diff_density_min -3.547 _refine_diff_density_rms 0.255