#------------------------------------------------------------------------------ #$Date: 2010-03-28 18:11:20 +0100 (Sun, 28 Mar 2010) $ #$Revision: 1054 $ #$URL: svn://www.crystallography.net/cod/cif/4/4301084.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4301084 loop_ _publ_author_name 'Toshihiro Yamase' 'Hiroko Abe' 'Eri Ishikawa' 'Hiroyuki Nojiri' 'Yuhgo Ohshima' _publ_contact_author_email tyamase@res.titech.ac.jp _publ_contact_author_fax +81-45-924-5260 _publ_contact_author_name 'Toshihiro Yamase' _publ_contact_author_phone +81-45-924-5260 _publ_section_title ; Structure and Magnetism of [n-BuNH3]12[Cu4(GeW9O34)2].14H2O Sandwiching a Rhomblike Cu48+ Tetragon through \a-Keggin Linkage ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 138 _journal_page_last 148 _journal_volume 48 _journal_year 2009 _chemical_formula_moiety 'C48 H172 Cu4 Ge2 N12 O82 W18 ' _chemical_formula_sum 'C48 H172 Cu4 Ge2 N12 O82 W18' _chemical_formula_weight 5938.58 _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _audit_creation_date 2008-07-14 _audit_creation_method 'by CrystalStructure 3.8' _cell_angle_alpha 108.740(7) _cell_angle_beta 94.934(6) _cell_angle_gamma 98.701(8) _cell_formula_units_Z 1 _cell_length_a 12.598(7) _cell_length_b 16.115(10) _cell_length_c 16.337(10) _cell_measurement_reflns_used 7956 _cell_measurement_temperature 300 _cell_measurement_theta_max 27.5 _cell_measurement_theta_min 2.2 _cell_volume 3072(3) _computing_cell_refinement CrystalClear _computing_data_collection CrystalClear _computing_data_reduction CrystalStructure _computing_publication_material 'CrystalStructure 3.8' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_detector_area_resol_mean 7.31 _diffrn_measured_fraction_theta_full 0.955 _diffrn_measured_fraction_theta_max 0.955 _diffrn_measurement_device_type 'Rigaku Saturn' _diffrn_measurement_method \w _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71070 _diffrn_reflns_av_R_equivalents 0.060 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 24527 _diffrn_reflns_theta_full 27.48 _diffrn_reflns_theta_max 27.48 _exptl_absorpt_coefficient_mu 18.025 _exptl_absorpt_correction_T_max 0.5325 _exptl_absorpt_correction_T_min 0.2938 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details ; Higashi, T. (1999). Program for Absorption Correction. Rigaku Corporation, Tokyo, Japan. ; _exptl_crystal_colour green _exptl_crystal_density_diffrn 3.209 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 2712.00 _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.09 _refine_diff_density_max 5.46 _refine_diff_density_min -4.94 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.109 _refine_ls_number_parameters 549 _refine_ls_number_reflns 13483 _refine_ls_R_factor_all 0.1018 _refine_ls_R_factor_gt 0.0742 _refine_ls_shift/su_max 0.0010 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.0884P)^2^+42.9697P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_ref 0.2196 _reflns_number_gt 9309 _reflns_number_total 13483 _reflns_threshold_expression F^2^>2.0\s(F^2^) _[local]_cod_data_source_file ic8013267_si_002.cif _[local]_cod_data_source_block '__GeW9Cu' _[local]_cod_chemical_formula_sum_orig 'C48 H172 Cu4 Ge2 N12 O82 W18 ' _cod_original_cell_volume 3073(3) _cod_database_code 4301084 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +X,+Y,+Z 2 -X,-Y,-Z loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.003 0.002 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; H H 0.000 0.000 ; International Tables for Crystallography (1992, Vol. C, Table 6.1.1.4) ; Cu Cu 0.320 1.265 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; Ge Ge 0.155 1.800 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; N N 0.006 0.003 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; O O 0.011 0.006 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; W W -0.849 6.872 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 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 W(1) W 0.60510(7) 0.32004(6) 0.77649(5) 0.0217(2) Uani 1.00 1 d . . . W(2) W 0.66362(7) 0.19221(6) 0.55535(5) 0.0220(2) Uani 1.00 1 d . . . W(3) W 0.38067(7) 0.16281(6) 0.60938(5) 0.0223(2) Uani 1.00 1 d . . . W(4) W 0.45826(7) 0.48389(5) 0.79950(5) 0.02062(18) Uani 1.00 1 d . . . W(5) W 0.71347(7) 0.51154(5) 0.74747(5) 0.02068(18) Uani 1.00 1 d . . . W(6) W 0.77500(7) 0.38507(6) 0.52817(5) 0.02226(18) Uani 1.00 1 d . . . W(7) W 0.57655(7) 0.24347(5) 0.37881(5) 0.02120(18) Uani 1.00 1 d . . . W(8) W 0.29384(7) 0.21923(5) 0.43625(5) 0.02128(18) Uani 1.00 1 d . . . W(9) W 0.23989(7) 0.33118(6) 0.63605(5) 0.02202(18) Uani 1.00 1 d . . . Ge(1) Ge 0.50832(15) 0.36941(13) 0.58510(11) 0.0149(3) Uani 1.00 1 d . . . Cu(1) Cu 0.36028(19) 0.53850(16) 0.61515(14) 0.0188(4) Uani 1.00 1 d . . . Cu(2) Cu 0.59408(19) 0.56515(16) 0.56930(14) 0.0199(5) Uani 1.00 1 d . . . O(1) O 0.6504(11) 0.2700(10) 0.8478(9) 0.034(3) Uani 1.00 1 d . . . O(2) O 0.7192(10) 0.1032(9) 0.5644(8) 0.023(2) Uani 1.00 1 d . . . O(3) O 0.3557(11) 0.0611(9) 0.6280(9) 0.028(3) Uani 1.00 1 d . . . O(4) O 0.6733(10) 0.2641(9) 0.6772(8) 0.023(2) Uiso 1.00 1 d . . . O(5) O 0.5145(9) 0.1497(7) 0.5581(7) 0.013(2) Uani 1.00 1 d . . . O(6) O 0.4755(11) 0.2385(8) 0.7121(8) 0.023(2) Uani 1.00 1 d . . . O(7) O 0.5237(11) 0.3958(10) 0.8446(8) 0.027(3) Uani 1.00 1 d . . . O(8) O 0.7242(11) 0.4172(8) 0.8023(8) 0.024(3) Uani 1.00 1 d . . . O(9) O 0.7926(10) 0.2743(9) 0.5540(8) 0.025(3) Uani 1.00 1 d . . . O(10) O 0.6285(12) 0.1571(9) 0.4329(8) 0.028(3) Uani 1.00 1 d . . . O(11) O 0.3125(10) 0.1277(9) 0.4926(8) 0.024(3) Uani 1.00 1 d . . . O(12) O 0.2637(11) 0.2138(9) 0.6503(8) 0.027(3) Uani 1.00 1 d . . . O(13) O 0.5557(11) 0.4089(8) 0.6966(8) 0.023(2) Uani 1.00 1 d . . . O(14) O 0.6028(11) 0.3141(9) 0.5294(7) 0.023(3) Uani 1.00 1 d . . . O(15) O 0.3902(10) 0.2946(7) 0.5700(8) 0.018(2) Uani 1.00 1 d . . . O(16) O 0.4138(11) 0.5390(9) 0.8976(8) 0.025(3) Uani 1.00 1 d . . . O(17) O 0.8269(10) 0.5864(9) 0.8101(7) 0.023(2) Uani 1.00 1 d . . . O(18) O 0.9094(11) 0.4189(11) 0.5243(8) 0.035(3) Uani 1.00 1 d . . . O(19) O 0.5756(10) 0.1810(10) 0.2708(8) 0.031(3) Uani 1.00 1 d . . . O(20) O 0.2045(11) 0.1499(10) 0.3480(9) 0.031(3) Uani 1.00 1 d . . . O(21) O 0.1152(10) 0.3323(10) 0.6733(9) 0.030(3) Uani 1.00 1 d . . . O(22) O 0.6074(11) 0.5500(10) 0.8305(8) 0.028(3) Uani 1.00 1 d . . . O(23) O 0.7722(10) 0.4375(9) 0.6503(9) 0.025(3) Uani 1.00 1 d . . . O(24) O 0.7267(11) 0.3040(10) 0.4117(8) 0.031(3) Uani 1.00 1 d . . . O(25) O 0.4343(11) 0.2032(10) 0.3962(8) 0.029(3) Uani 1.00 1 d . . . O(26) O 0.1894(11) 0.2538(8) 0.5151(9) 0.029(3) Uani 1.00 1 d . . . O(27) O 0.3421(10) 0.3871(9) 0.7415(8) 0.024(3) Uani 1.00 1 d . . . O(28) O 0.4246(10) 0.5463(9) 0.7318(8) 0.022(2) Uani 1.00 1 d . . . O(29) O 0.6598(10) 0.5684(8) 0.6808(8) 0.021(2) Uani 1.00 1 d . . . O(30) O 0.7091(10) 0.4668(9) 0.4986(8) 0.023(2) Uani 1.00 1 d . . . O(31) O 0.5439(10) 0.3474(9) 0.3700(8) 0.021(2) Uani 1.00 1 d . . . O(32) O 0.3111(10) 0.3246(8) 0.4220(8) 0.020(2) Uiso 1.00 1 d . . . O(33) O 0.2625(10) 0.4290(9) 0.6089(8) 0.025(3) Uiso 1.00 1 d . . . O(34) O 0.4817(10) 0.4561(8) 0.5494(7) 0.021(2) Uani 1.00 1 d . . . O(35) O 0.1495(12) 0.5604(10) 0.9928(10) 0.036(3) Uiso 1.00 1 d . . . O(36) O 0.6798(12) 0.3139(10) 1.0275(10) 0.036(3) Uiso 1.00 1 d . . . O(37) O 0.9554(12) 0.4960(10) 0.8840(10) 0.037(3) Uiso 1.00 1 d . . . O(38) O 0.8797(19) 0.0306(16) 0.6345(16) 0.084(7) Uiso 1.00 1 d . . . O(39) O 0.9631(17) 0.2227(15) 0.4746(15) 0.073(6) Uiso 1.00 1 d . . . O(40) O 0.5608(13) 0.1981(12) 0.1007(11) 0.047(4) Uiso 1.00 1 d . . . O(41) O 0.058(4) 0.098(3) 0.576(3) 0.24(2) Uiso 1.00 1 d . . . N(1) N 0.9138(14) 0.3305(12) 0.7338(11) 0.030(4) Uiso 1.00 1 d . . . N(2) N 0.0916(15) 0.3810(12) 0.4381(12) 0.034(4) Uiso 1.00 1 d . . . N(3) N 0.4120(13) 0.2854(11) 0.1999(11) 0.028(3) Uiso 1.00 1 d . . . N(4) N 0.5578(12) -0.0119(10) 0.6213(10) 0.020(3) Uiso 1.00 1 d . . . N(5) N 0.3158(14) 0.4597(12) 1.0065(11) 0.029(3) Uiso 1.00 1 d . . . N(6) N 0.855(2) 0.045(2) 0.413(2) 0.097(10) Uiso 1.00 1 d . . . C(1) C 0.8968(18) 0.2625(15) 0.7730(14) 0.034(5) Uiso 1.00 1 d . . . C(2) C 0.999(2) 0.263(2) 0.8294(19) 0.054(7) Uiso 1.00 1 d . . . C(3) C 0.979(2) 0.184(2) 0.8718(19) 0.056(7) Uiso 1.00 1 d . . . C(4) C 0.922(2) 0.221(2) 0.952(2) 0.065(8) Uiso 1.00 1 d . . . C(5) C 0.0747(18) 0.3312(15) 0.3449(15) 0.035(5) Uiso 1.00 1 d . . . C(6) C -0.039(2) 0.3274(17) 0.3000(16) 0.043(5) Uiso 1.00 1 d . . . C(7) C -0.059(2) 0.4151(18) 0.2975(18) 0.049(6) Uiso 1.00 1 d . . . C(8) C -0.166(2) 0.4094(18) 0.2363(18) 0.049(6) Uiso 1.00 1 d . . . C(9) C 0.3107(16) 0.2243(13) 0.1962(13) 0.025(4) Uiso 1.00 1 d . . . C(10) C 0.2416(19) 0.1994(16) 0.1065(15) 0.038(5) Uiso 1.00 1 d . . . C(11) C 0.121(2) 0.147(2) 0.099(2) 0.082(10) Uiso 1.00 1 d . . . C(12) C 0.123(2) 0.061(2) 0.110(2) 0.069(9) Uiso 1.00 1 d . . . C(13) C 0.564(2) 0.025(2) 0.720(2) 0.065(8) Uiso 1.00 1 d . . . C(14) C 0.660(2) 0.023(2) 0.768(2) 0.064(8) Uiso 1.00 1 d . . . C(15) C 0.652(2) 0.057(2) 0.871(2) 0.058(7) Uiso 1.00 1 d . . . C(16) C 0.589(2) 0.008(2) 0.905(2) 0.067(8) Uiso 1.00 1 d . . . C(17) C 0.2675(18) 0.3627(15) 0.9467(15) 0.034(5) Uiso 1.00 1 d . . . C(18) C 0.3559(17) 0.3055(15) 0.9457(14) 0.032(4) Uiso 1.00 1 d . . . C(19) C 0.307(2) 0.2097(17) 0.8782(16) 0.042(5) Uiso 1.00 1 d . . . C(20) C 0.390(2) 0.1467(17) 0.8779(17) 0.044(6) Uiso 1.00 1 d . . . C(21) C 0.864(3) 0.022(3) 0.304(3) 0.109(14) Uiso 1.00 1 d . . . C(22) C 0.807(2) 0.082(2) 0.273(2) 0.070(9) Uiso 1.00 1 d . . . C(23) C 0.847(3) 0.069(3) 0.191(3) 0.103(14) Uiso 1.00 1 d . . . C(24) C 0.770(3) 0.095(3) 0.131(3) 0.122(16) Uiso 1.00 1 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_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 W(1) 0.0280(4) 0.0261(4) 0.0138(3) 0.0067(3) 0.0058(3) 0.0092(3) W(2) 0.0263(4) 0.0265(4) 0.0161(3) 0.0082(3) 0.0067(3) 0.0088(3) W(3) 0.0282(4) 0.0246(4) 0.0165(3) 0.0055(3) 0.0066(3) 0.0092(3) W(4) 0.0265(4) 0.0257(4) 0.0115(3) 0.0058(3) 0.0064(2) 0.0075(2) W(5) 0.0247(4) 0.0259(4) 0.0130(3) 0.0049(3) 0.0040(2) 0.0082(3) W(6) 0.0225(4) 0.0305(4) 0.0166(3) 0.0064(3) 0.0066(3) 0.0103(3) W(7) 0.0278(4) 0.0248(4) 0.0134(3) 0.0073(3) 0.0061(3) 0.0078(2) W(8) 0.0249(4) 0.0242(4) 0.0161(3) 0.0036(3) 0.0047(3) 0.0087(3) W(9) 0.0228(4) 0.0282(4) 0.0194(3) 0.0064(3) 0.0079(3) 0.0121(3) Ge(1) 0.0166(10) 0.0197(9) 0.0104(8) 0.0047(7) 0.0035(6) 0.0070(7) Cu(1) 0.0223(12) 0.0239(12) 0.0148(10) 0.0071(9) 0.0067(8) 0.0106(8) Cu(2) 0.0233(13) 0.0241(12) 0.0141(10) 0.0040(10) 0.0030(8) 0.0089(9) O(1) 0.031(8) 0.039(9) 0.026(7) -0.007(7) 0.008(6) 0.008(6) O(2) 0.023(7) 0.029(7) 0.024(6) 0.009(6) 0.005(5) 0.017(5) O(3) 0.028(8) 0.026(7) 0.026(7) -0.005(6) 0.006(5) 0.007(6) O(5) 0.017(6) 0.016(6) 0.011(5) 0.003(5) 0.009(4) 0.009(4) O(6) 0.036(8) 0.022(7) 0.019(6) 0.012(6) 0.006(5) 0.014(5) O(7) 0.031(8) 0.042(8) 0.019(6) 0.029(7) 0.010(5) 0.015(6) O(8) 0.041(8) 0.017(6) 0.016(6) 0.005(6) 0.013(5) 0.008(5) O(9) 0.024(7) 0.032(8) 0.023(6) 0.013(6) 0.001(5) 0.009(6) O(10) 0.047(9) 0.038(8) 0.013(6) 0.026(7) 0.014(5) 0.018(5) O(11) 0.029(8) 0.025(7) 0.020(6) -0.002(6) -0.001(5) 0.013(5) O(12) 0.037(8) 0.027(7) 0.020(6) 0.008(6) 0.013(6) 0.011(5) O(13) 0.033(8) 0.023(7) 0.011(5) 0.000(6) 0.007(5) 0.007(5) O(14) 0.033(8) 0.031(7) 0.005(5) 0.002(6) 0.005(5) 0.005(5) O(15) 0.022(7) 0.009(5) 0.017(6) 0.002(5) -0.003(5) 0.001(4) O(16) 0.028(7) 0.031(7) 0.023(6) 0.001(6) 0.002(5) 0.022(6) O(17) 0.033(8) 0.030(7) 0.009(5) 0.012(6) 0.001(5) 0.011(5) O(18) 0.027(8) 0.066(11) 0.017(6) 0.006(7) 0.010(5) 0.019(7) O(19) 0.020(7) 0.053(10) 0.012(6) -0.013(6) 0.000(5) 0.011(6) O(20) 0.026(8) 0.045(9) 0.020(7) -0.000(6) 0.005(5) 0.010(6) O(21) 0.012(7) 0.049(9) 0.023(7) 0.004(6) -0.004(5) 0.009(6) O(22) 0.026(7) 0.048(9) 0.020(6) 0.005(6) 0.011(5) 0.023(6) O(23) 0.016(7) 0.025(7) 0.038(8) 0.007(5) -0.004(5) 0.016(6) O(24) 0.035(8) 0.050(9) 0.020(6) 0.020(7) 0.015(6) 0.019(6) O(25) 0.035(8) 0.039(8) 0.018(6) 0.019(7) 0.012(5) 0.011(6) O(26) 0.039(8) 0.016(6) 0.025(7) 0.004(6) -0.001(6) -0.000(5) O(27) 0.023(7) 0.041(8) 0.016(6) 0.010(6) 0.011(5) 0.016(5) O(28) 0.026(7) 0.024(7) 0.025(6) -0.001(5) 0.004(5) 0.022(5) O(29) 0.028(7) 0.019(6) 0.021(6) 0.008(5) 0.004(5) 0.011(5) O(30) 0.021(7) 0.034(7) 0.016(6) -0.004(6) -0.001(5) 0.018(5) O(31) 0.019(7) 0.033(7) 0.021(6) 0.012(5) 0.009(5) 0.018(5) O(34) 0.021(7) 0.022(6) 0.009(5) -0.011(5) -0.001(4) 0.001(4) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 W(1) O(1) 1.721(18) yes . . W(1) O(4) 1.928(13) yes . . W(1) O(6) 1.915(11) yes . . W(1) O(7) 1.866(14) yes . . W(1) O(8) 1.907(12) yes . . W(1) O(13) 2.339(15) yes . . W(2) O(2) 1.730(15) yes . . W(2) O(4) 1.937(12) yes . . W(2) O(5) 1.909(11) yes . . W(2) O(9) 1.940(13) yes . . W(2) O(10) 1.888(12) yes . . W(2) O(14) 2.357(16) yes . . W(3) O(3) 1.749(16) yes . . W(3) O(5) 1.956(12) yes . . W(3) O(6) 1.905(11) yes . . W(3) O(11) 1.891(12) yes . . W(3) O(12) 1.865(15) yes . . W(3) O(15) 2.398(14) yes . . W(4) O(7) 2.039(17) yes . . W(4) O(13) 2.300(13) yes . . W(4) O(16) 1.749(13) yes . . W(4) O(22) 1.951(13) yes . . W(4) O(27) 1.895(11) yes . . W(4) O(28) 1.783(16) yes . . W(5) O(8) 2.012(15) yes . . W(5) O(13) 2.284(12) yes . . W(5) O(17) 1.726(11) yes . . W(5) O(22) 2.008(14) yes . . W(5) O(23) 1.935(13) yes . . W(5) O(29) 1.785(15) yes . . W(6) O(9) 2.001(16) yes . . W(6) O(14) 2.300(13) yes . . W(6) O(18) 1.712(14) yes . . W(6) O(23) 1.906(14) yes . . W(6) O(24) 1.913(12) yes . . W(6) O(30) 1.823(16) yes . . W(7) O(10) 2.028(17) yes . . W(7) O(14) 2.325(11) yes . . W(7) O(19) 1.726(12) yes . . W(7) O(24) 1.936(13) yes . . W(7) O(25) 1.889(14) yes . . W(7) O(31) 1.830(16) yes . . W(8) O(11) 2.005(16) yes . . W(8) O(15) 2.262(11) yes . . W(8) O(20) 1.703(11) yes . . W(8) O(25) 1.963(15) yes . . W(8) O(26) 1.936(15) yes . . W(8) O(32) 1.771(14) yes . . W(9) O(12) 2.041(16) yes . . W(9) O(15) 2.319(13) yes . . W(9) O(21) 1.733(13) yes . . W(9) O(26) 1.956(12) yes . . W(9) O(27) 1.926(11) yes . . W(9) O(33) 1.760(16) yes . . Ge(1) O(13) 1.742(12) yes . . Ge(1) O(14) 1.739(14) yes . . Ge(1) O(15) 1.713(11) yes . . Ge(1) O(34) 1.742(15) yes . . Cu(1) O(28) 1.963(14) yes . . Cu(1) O(30) 1.955(14) yes . 2_666 Cu(1) O(31) 1.972(13) yes . 2_666 Cu(1) O(33) 1.961(14) yes . . Cu(2) O(29) 1.916(14) yes . . Cu(2) O(32) 1.942(13) yes . 2_666 Cu(2) O(34) 2.000(12) yes . . Cu(2) O(34) 1.987(12) yes . 2_666 N(1) C(1) 1.44(3) yes . . N(2) C(5) 1.45(2) yes . . N(3) C(9) 1.47(2) yes . . N(4) C(13) 1.52(3) yes . . N(5) C(17) 1.55(2) yes . . N(6) C(21) 1.73(6) yes . . C(1) C(2) 1.52(3) yes . . C(2) C(3) 1.62(5) yes . . C(3) C(4) 1.54(4) yes . . C(5) C(6) 1.53(3) yes . . C(6) C(7) 1.49(4) yes . . C(7) C(8) 1.58(4) yes . . C(9) C(10) 1.54(3) yes . . C(10) C(11) 1.60(4) yes . . C(11) C(12) 1.44(6) yes . . C(13) C(14) 1.40(4) yes . . C(14) C(15) 1.60(4) yes . . C(15) C(16) 1.31(5) yes . . C(17) C(18) 1.55(3) yes . . C(18) C(19) 1.57(2) yes . . C(19) C(20) 1.57(4) yes . . C(21) C(22) 1.47(7) yes . . C(22) C(23) 1.43(6) yes . . C(23) C(24) 1.52(7) yes . . loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_publ_flag _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 O(1) W(1) O(4) 100.1(6) yes . . . O(1) W(1) O(6) 103.1(6) yes . . . O(1) W(1) O(7) 101.2(7) yes . . . O(1) W(1) O(8) 99.0(6) yes . . . O(1) W(1) O(13) 171.1(5) yes . . . O(4) W(1) O(6) 85.4(5) yes . . . O(4) W(1) O(7) 158.7(7) yes . . . O(4) W(1) O(8) 85.1(5) yes . . . O(4) W(1) O(13) 84.9(5) yes . . . O(6) W(1) O(7) 90.9(5) yes . . . O(6) W(1) O(8) 157.1(6) yes . . . O(6) W(1) O(13) 84.5(5) yes . . . O(7) W(1) O(8) 90.4(5) yes . . . O(7) W(1) O(13) 73.8(6) yes . . . O(8) W(1) O(13) 74.0(5) yes . . . O(2) W(2) O(4) 101.0(6) yes . . . O(2) W(2) O(5) 100.2(6) yes . . . O(2) W(2) O(9) 101.0(6) yes . . . O(2) W(2) O(10) 100.5(6) yes . . . O(2) W(2) O(14) 172.6(5) yes . . . O(4) W(2) O(5) 87.7(4) yes . . . O(4) W(2) O(9) 86.0(5) yes . . . O(4) W(2) O(10) 158.5(6) yes . . . O(4) W(2) O(14) 84.1(5) yes . . . O(5) W(2) O(9) 158.6(6) yes . . . O(5) W(2) O(10) 87.3(5) yes . . . O(5) W(2) O(14) 85.3(5) yes . . . O(9) W(2) O(10) 91.1(6) yes . . . O(9) W(2) O(14) 73.7(5) yes . . . O(10) W(2) O(14) 74.7(5) yes . . . O(3) W(3) O(5) 98.7(6) yes . . . O(3) W(3) O(6) 102.7(6) yes . . . O(3) W(3) O(11) 100.5(6) yes . . . O(3) W(3) O(12) 102.0(6) yes . . . O(3) W(3) O(15) 171.7(5) yes . . . O(5) W(3) O(6) 84.4(5) yes . . . O(5) W(3) O(11) 85.0(5) yes . . . O(5) W(3) O(12) 159.3(6) yes . . . O(5) W(3) O(15) 85.3(5) yes . . . O(6) W(3) O(11) 155.7(6) yes . . . O(6) W(3) O(12) 91.2(5) yes . . . O(6) W(3) O(15) 84.9(5) yes . . . O(11) W(3) O(12) 91.0(6) yes . . . O(11) W(3) O(15) 72.5(5) yes . . . O(12) W(3) O(15) 74.2(5) yes . . . O(7) W(4) O(13) 71.8(5) yes . . . O(7) W(4) O(16) 95.3(6) yes . . . O(7) W(4) O(22) 82.7(6) yes . . . O(7) W(4) O(27) 85.7(6) yes . . . O(7) W(4) O(28) 161.4(5) yes . . . O(13) W(4) O(16) 164.1(5) yes . . . O(13) W(4) O(22) 73.1(4) yes . . . O(13) W(4) O(27) 85.0(5) yes . . . O(13) W(4) O(28) 89.6(5) yes . . . O(16) W(4) O(22) 96.5(5) yes . . . O(16) W(4) O(27) 103.8(5) yes . . . O(16) W(4) O(28) 102.9(6) yes . . . O(22) W(4) O(27) 157.5(5) yes . . . O(22) W(4) O(28) 91.5(6) yes . . . O(27) W(4) O(28) 93.4(6) yes . . . O(8) W(5) O(13) 73.4(5) yes . . . O(8) W(5) O(17) 96.5(6) yes . . . O(8) W(5) O(22) 85.2(6) yes . . . O(8) W(5) O(23) 86.8(6) yes . . . O(8) W(5) O(29) 159.6(5) yes . . . O(13) W(5) O(17) 165.9(5) yes . . . O(13) W(5) O(22) 72.5(4) yes . . . O(13) W(5) O(23) 86.5(4) yes . . . O(13) W(5) O(29) 86.2(5) yes . . . O(17) W(5) O(22) 97.3(5) yes . . . O(17) W(5) O(23) 102.9(5) yes . . . O(17) W(5) O(29) 103.8(6) yes . . . O(22) W(5) O(23) 158.9(5) yes . . . O(22) W(5) O(29) 89.8(6) yes . . . O(23) W(5) O(29) 91.0(6) yes . . . O(9) W(6) O(14) 74.0(5) yes . . . O(9) W(6) O(18) 96.0(7) yes . . . O(9) W(6) O(23) 85.7(6) yes . . . O(9) W(6) O(24) 83.7(6) yes . . . O(9) W(6) O(30) 159.8(5) yes . . . O(14) W(6) O(18) 169.4(7) yes . . . O(14) W(6) O(23) 83.2(4) yes . . . O(14) W(6) O(24) 74.2(5) yes . . . O(14) W(6) O(30) 85.9(5) yes . . . O(18) W(6) O(23) 99.9(5) yes . . . O(18) W(6) O(24) 101.6(6) yes . . . O(18) W(6) O(30) 103.9(7) yes . . . O(23) W(6) O(24) 156.9(6) yes . . . O(23) W(6) O(30) 94.7(6) yes . . . O(24) W(6) O(30) 88.3(6) yes . . . O(10) W(7) O(14) 73.0(5) yes . . . O(10) W(7) O(19) 97.7(7) yes . . . O(10) W(7) O(24) 83.5(6) yes . . . O(10) W(7) O(25) 88.5(6) yes . . . O(10) W(7) O(31) 159.7(4) yes . . . O(14) W(7) O(19) 169.5(6) yes . . . O(14) W(7) O(24) 73.2(5) yes . . . O(14) W(7) O(25) 83.6(5) yes . . . O(14) W(7) O(31) 87.0(5) yes . . . O(19) W(7) O(24) 101.2(6) yes . . . O(19) W(7) O(25) 101.5(5) yes . . . O(19) W(7) O(31) 101.8(7) yes . . . O(24) W(7) O(25) 156.8(5) yes . . . O(24) W(7) O(31) 87.4(6) yes . . . O(25) W(7) O(31) 92.8(6) yes . . . O(11) W(8) O(15) 73.7(4) yes . . . O(11) W(8) O(20) 96.5(6) yes . . . O(11) W(8) O(25) 86.5(6) yes . . . O(11) W(8) O(26) 86.1(6) yes . . . O(11) W(8) O(32) 158.6(5) yes . . . O(15) W(8) O(20) 167.0(6) yes . . . O(15) W(8) O(25) 86.1(4) yes . . . O(15) W(8) O(26) 73.4(5) yes . . . O(15) W(8) O(32) 85.0(5) yes . . . O(20) W(8) O(25) 102.1(6) yes . . . O(20) W(8) O(26) 97.7(6) yes . . . O(20) W(8) O(32) 104.9(7) yes . . . O(25) W(8) O(26) 159.4(5) yes . . . O(25) W(8) O(32) 89.4(6) yes . . . O(26) W(8) O(32) 90.5(6) yes . . . O(12) W(9) O(15) 73.1(5) yes . . . O(12) W(9) O(21) 96.9(7) yes . . . O(12) W(9) O(26) 82.3(5) yes . . . O(12) W(9) O(27) 85.3(5) yes . . . O(12) W(9) O(33) 159.9(6) yes . . . O(15) W(9) O(21) 166.6(5) yes . . . O(15) W(9) O(26) 71.7(5) yes . . . O(15) W(9) O(27) 85.1(4) yes . . . O(15) W(9) O(33) 86.9(5) yes . . . O(21) W(9) O(26) 98.5(5) yes . . . O(21) W(9) O(27) 103.3(5) yes . . . O(21) W(9) O(33) 103.2(7) yes . . . O(26) W(9) O(27) 156.0(6) yes . . . O(26) W(9) O(33) 93.6(6) yes . . . O(27) W(9) O(33) 91.0(6) yes . . . O(13) Ge(1) O(14) 108.9(6) yes . . . O(13) Ge(1) O(15) 106.5(6) yes . . . O(13) Ge(1) O(34) 110.9(6) yes . . . O(14) Ge(1) O(15) 109.0(6) yes . . . O(14) Ge(1) O(34) 112.0(6) yes . . . O(15) Ge(1) O(34) 109.3(6) yes . . . O(28) Cu(1) O(30) 177.4(6) yes . . 2_666 O(28) Cu(1) O(31) 88.9(5) yes . . 2_666 O(28) Cu(1) O(33) 88.2(5) yes . . . O(30) Cu(1) O(31) 91.3(5) yes 2_666 . 2_666 O(30) Cu(1) O(33) 91.4(5) yes 2_666 . . O(31) Cu(1) O(33) 175.8(5) yes 2_666 . . O(29) Cu(2) O(32) 92.0(5) yes . . 2_666 O(29) Cu(2) O(34) 95.2(5) yes . . . O(29) Cu(2) O(34) 172.1(5) yes . . 2_666 O(32) Cu(2) O(34) 172.0(6) yes 2_666 . . O(32) Cu(2) O(34) 95.5(5) yes 2_666 . 2_666 O(34) Cu(2) O(34) 77.5(5) yes . . 2_666 W(1) O(4) W(2) 150.6(7) yes . . . W(2) O(5) W(3) 151.1(5) yes . . . W(1) O(6) W(3) 155.3(8) yes . . . W(1) O(7) W(4) 120.4(7) yes . . . W(1) O(8) W(5) 118.9(7) yes . . . W(2) O(9) W(6) 118.7(7) yes . . . W(2) O(10) W(7) 119.6(7) yes . . . W(3) O(11) W(8) 120.5(6) yes . . . W(3) O(12) W(9) 120.6(8) yes . . . W(1) O(13) W(4) 93.9(5) yes . . . W(1) O(13) W(5) 93.8(4) yes . . . W(1) O(13) Ge(1) 124.6(6) yes . . . W(4) O(13) W(5) 95.6(4) yes . . . W(4) O(13) Ge(1) 122.7(7) yes . . . W(5) O(13) Ge(1) 118.8(7) yes . . . W(2) O(14) W(6) 93.5(5) yes . . . W(2) O(14) W(7) 92.6(4) yes . . . W(2) O(14) Ge(1) 124.1(7) yes . . . W(6) O(14) W(7) 91.9(4) yes . . . W(6) O(14) Ge(1) 122.8(6) yes . . . W(7) O(14) Ge(1) 123.1(6) yes . . . W(3) O(15) W(8) 93.1(3) yes . . . W(3) O(15) W(9) 92.1(4) yes . . . W(3) O(15) Ge(1) 123.1(6) yes . . . W(8) O(15) W(9) 94.6(4) yes . . . W(8) O(15) Ge(1) 122.2(7) yes . . . W(9) O(15) Ge(1) 123.5(5) yes . . . W(4) O(22) W(5) 118.2(6) yes . . . W(5) O(23) W(6) 151.4(9) yes . . . W(6) O(24) W(7) 119.5(7) yes . . . W(7) O(25) W(8) 154.4(8) yes . . . W(8) O(26) W(9) 119.8(7) yes . . . W(4) O(27) W(9) 144.2(9) yes . . . W(4) O(28) Cu(1) 144.9(7) yes . . . W(5) O(29) Cu(2) 149.3(7) yes . . . W(6) O(30) Cu(1) 129.7(6) yes . . 2_666 W(7) O(31) Cu(1) 130.3(7) yes . . 2_666 W(8) O(32) Cu(2) 149.2(8) yes . . 2_666 W(9) O(33) Cu(1) 149.1(8) yes . . . Ge(1) O(34) Cu(2) 122.0(6) yes . . . Ge(1) O(34) Cu(2) 122.5(6) yes . . 2_666 Cu(2) O(34) Cu(2) 102.5(6) yes . . 2_666 N(1) C(1) C(2) 111(2) yes . . . C(1) C(2) C(3) 111(2) yes . . . C(2) C(3) C(4) 107(2) yes . . . N(2) C(5) C(6) 113.1(19) yes . . . C(5) C(6) C(7) 114.0(19) yes . . . C(6) C(7) C(8) 114(2) yes . . . N(3) C(9) C(10) 109.3(19) yes . . . C(9) C(10) C(11) 114(2) yes . . . C(10) C(11) C(12) 111(3) yes . . . N(4) C(13) C(14) 116(2) yes . . . C(13) C(14) C(15) 110(2) yes . . . C(14) C(15) C(16) 121(2) yes . . . N(5) C(17) C(18) 108.3(16) yes . . . C(17) C(18) C(19) 106.6(17) yes . . . C(18) C(19) C(20) 109.2(18) yes . . . N(6) C(21) C(22) 108(3) yes . . . C(21) C(22) C(23) 99(3) yes . . . C(22) C(23) C(24) 109(3) yes . . . loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_publ_flag _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 Cu(1) C(8) 3.59(2) ? . 2_566 O(1) O(35) 3.580(18) ? . 2_667 O(1) O(36) 2.77(2) ? . . O(1) C(1) 3.44(2) ? . . O(1) C(15) 3.57(4) ? . . O(2) O(3) 3.341(16) ? . 2_656 O(2) O(11) 3.48(2) ? . 2_656 O(2) O(38) 2.82(3) ? . . O(2) N(4) 2.96(2) ? . . O(2) N(6) 3.10(3) ? . . O(3) O(2) 3.341(16) ? . 2_656 O(3) O(10) 3.37(2) ? . 2_656 O(3) N(4) 2.96(2) ? . . O(3) N(6) 2.82(3) ? . 2_656 O(3) C(13) 3.13(3) ? . . O(3) C(21) 3.33(5) ? . 2_656 O(4) N(1) 3.01(2) ? . . O(4) C(1) 3.11(2) ? . . O(5) N(4) 3.19(2) ? . . O(5) N(4) 3.016(16) ? . 2_656 O(7) N(5) 3.086(18) ? . 2_667 O(7) C(18) 3.25(2) ? . . O(8) O(35) 3.46(2) ? . 2_667 O(8) O(37) 3.000(19) ? . . O(8) N(1) 3.06(2) ? . . O(8) N(5) 3.25(2) ? . 2_667 O(8) C(1) 3.50(2) ? . . O(9) O(39) 2.70(2) ? . . O(9) N(1) 2.98(2) ? . . O(10) O(3) 3.37(2) ? . 2_656 O(10) N(4) 2.901(19) ? . 2_656 O(10) N(6) 3.58(3) ? . . O(10) C(13) 3.59(2) ? . 2_656 O(11) O(2) 3.48(2) ? . 2_656 O(11) O(38) 3.25(2) ? . 2_656 O(11) N(4) 2.97(2) ? . 2_656 O(12) O(41) 2.87(4) ? . . O(16) O(36) 2.78(2) ? . 2_667 O(16) N(5) 2.77(2) ? . . O(16) C(17) 3.50(3) ? . . O(17) O(37) 2.78(2) ? . . O(17) C(5) 3.45(3) ? . 2_666 O(17) C(7) 3.54(3) ? . 2_666 O(17) C(10) 3.55(2) ? . 2_666 O(18) O(18) 3.54(2) ? . 2_766 O(18) O(39) 3.19(3) ? . . O(18) N(2) 2.84(2) ? . 1_655 O(18) N(2) 3.09(2) ? . 2_666 O(18) C(7) 3.42(2) ? . 2_666 O(19) O(40) 2.87(2) ? . . O(19) N(3) 3.21(2) ? . . O(19) C(13) 3.57(3) ? . 2_656 O(19) C(22) 3.53(4) ? . . O(20) O(38) 3.05(3) ? . 2_656 O(20) C(5) 3.57(3) ? . . O(20) C(9) 3.37(2) ? . . O(20) C(14) 3.59(3) ? . 2_656 O(21) O(39) 3.40(2) ? . 1_455 O(21) O(41) 3.53(5) ? . . O(21) N(1) 2.80(2) ? . 1_455 O(21) C(1) 3.53(2) ? . 1_455 O(21) C(2) 3.45(3) ? . 1_455 O(22) N(3) 2.89(2) ? . 2_666 O(22) N(5) 2.82(2) ? . 2_667 O(22) C(17) 3.57(2) ? . 2_667 O(22) C(18) 3.59(2) ? . 2_667 O(23) N(1) 3.17(2) ? . . O(25) N(4) 3.02(2) ? . 2_656 O(25) C(13) 3.57(3) ? . 2_656 O(26) O(39) 2.80(2) ? . 1_455 O(26) O(41) 3.28(6) ? . . O(26) N(2) 3.07(2) ? . . O(28) N(3) 2.97(2) ? . 2_666 O(28) C(8) 3.48(3) ? . 2_566 O(29) N(3) 2.86(2) ? . 2_666 O(29) C(9) 3.24(2) ? . 2_666 O(30) N(2) 3.07(2) ? . 2_666 O(31) N(3) 2.90(2) ? . . O(32) N(2) 3.05(2) ? . . O(32) C(5) 3.16(2) ? . . O(32) C(9) 3.52(2) ? . . O(33) N(2) 3.18(2) ? . . O(33) C(8) 3.45(3) ? . 2_566 O(35) O(1) 3.580(18) ? . 2_667 O(35) O(8) 3.46(2) ? . 2_667 O(35) O(36) 2.84(2) ? . 2_667 O(35) O(37) 2.74(2) ? . 1_455 O(35) O(37) 2.81(2) ? . 2_667 O(35) N(5) 2.87(2) ? . . O(36) O(1) 2.77(2) ? . . O(36) O(16) 2.78(2) ? . 2_667 O(36) O(35) 2.84(2) ? . 2_667 O(36) O(40) 2.84(2) ? . 1_556 O(36) C(8) 3.51(2) ? . 1_656 O(37) O(8) 3.000(19) ? . . O(37) O(17) 2.78(2) ? . . O(37) O(35) 2.74(2) ? . 1_655 O(37) O(35) 2.81(2) ? . 2_667 O(37) N(1) 2.93(2) ? . . O(37) C(1) 3.54(2) ? . . O(38) O(2) 2.82(3) ? . . O(38) O(11) 3.25(2) ? . 2_656 O(38) O(20) 3.05(3) ? . 2_656 O(38) O(41) 2.72(6) ? . 1_655 O(39) O(9) 2.70(2) ? . . O(39) O(18) 3.19(3) ? . . O(39) O(21) 3.40(2) ? . 1_655 O(39) O(26) 2.80(2) ? . 1_655 O(39) O(41) 3.29(7) ? . 1_655 O(39) N(2) 3.06(3) ? . 1_655 O(39) N(6) 2.79(3) ? . . O(39) C(5) 3.42(3) ? . 1_655 O(39) C(21) 3.49(4) ? . . O(39) C(22) 3.55(3) ? . . O(40) O(19) 2.87(2) ? . . O(40) O(36) 2.84(2) ? . 1_554 O(40) N(3) 2.82(2) ? . . O(40) C(16) 3.53(4) ? . 2_656 O(40) C(24) 3.40(5) ? . . O(41) O(12) 2.87(4) ? . . O(41) O(21) 3.53(5) ? . . O(41) O(26) 3.28(6) ? . . O(41) O(38) 2.72(6) ? . 1_455 O(41) O(39) 3.29(7) ? . 1_455 O(41) O(41) 3.34(6) ? . 2_556 O(41) N(6) 3.33(6) ? . 1_455 O(41) N(6) 2.74(7) ? . 2_656 O(41) C(21) 3.35(9) ? . 2_656 N(1) O(4) 3.01(2) ? . . N(1) O(8) 3.06(2) ? . . N(1) O(9) 2.98(2) ? . . N(1) O(21) 2.80(2) ? . 1_655 N(1) O(23) 3.17(2) ? . . N(1) O(37) 2.93(2) ? . . N(2) O(18) 2.84(2) ? . 1_455 N(2) O(18) 3.09(2) ? . 2_666 N(2) O(26) 3.07(2) ? . . N(2) O(30) 3.07(2) ? . 2_666 N(2) O(32) 3.05(2) ? . . N(2) O(33) 3.18(2) ? . . N(2) O(39) 3.06(3) ? . 1_455 N(3) O(19) 3.21(2) ? . . N(3) O(22) 2.89(2) ? . 2_666 N(3) O(28) 2.967(19) ? . 2_666 N(3) O(29) 2.86(2) ? . 2_666 N(3) O(31) 2.90(2) ? . . N(3) O(40) 2.82(2) ? . . N(4) O(2) 2.96(2) ? . . N(4) O(3) 2.96(2) ? . . N(4) O(5) 3.19(2) ? . . N(4) O(5) 3.016(16) ? . 2_656 N(4) O(10) 2.901(19) ? . 2_656 N(4) O(11) 2.97(2) ? . 2_656 N(4) O(25) 3.02(2) ? . 2_656 N(5) O(7) 3.086(18) ? . 2_667 N(5) O(8) 3.25(2) ? . 2_667 N(5) O(16) 2.77(2) ? . . N(5) O(22) 2.82(2) ? . 2_667 N(5) O(35) 2.87(2) ? . . N(6) O(2) 3.10(3) ? . . N(6) O(3) 2.82(3) ? . 2_656 N(6) O(10) 3.58(3) ? . . N(6) O(39) 2.79(3) ? . . N(6) O(41) 3.33(6) ? . 1_655 N(6) O(41) 2.74(7) ? . 2_656 C(1) O(1) 3.44(2) ? . . C(1) O(4) 3.11(2) ? . . C(1) O(8) 3.50(2) ? . . C(1) O(21) 3.53(2) ? . 1_655 C(1) O(37) 3.54(2) ? . . C(2) O(21) 3.45(3) ? . 1_655 C(2) C(17) 3.60(3) ? . 1_655 C(5) O(17) 3.45(3) ? . 2_666 C(5) O(20) 3.57(3) ? . . C(5) O(32) 3.16(2) ? . . C(5) O(39) 3.42(3) ? . 1_455 C(7) O(17) 3.54(3) ? . 2_666 C(7) O(18) 3.42(2) ? . 2_666 C(8) Cu(1) 3.59(2) ? . 2_566 C(8) O(28) 3.48(3) ? . 2_566 C(8) O(33) 3.45(3) ? . 2_566 C(8) O(36) 3.51(2) ? . 1_454 C(9) O(20) 3.37(2) ? . . C(9) O(29) 3.24(2) ? . 2_666 C(9) O(32) 3.52(2) ? . . C(10) O(17) 3.55(2) ? . 2_666 C(13) O(3) 3.13(3) ? . . C(13) O(10) 3.59(3) ? . 2_656 C(13) O(19) 3.57(3) ? . 2_656 C(13) O(25) 3.57(3) ? . 2_656 C(14) O(20) 3.59(3) ? . 2_656 C(15) O(1) 3.57(4) ? . . C(16) O(40) 3.53(4) ? . 2_656 C(17) O(16) 3.50(3) ? . . C(17) O(22) 3.57(2) ? . 2_667 C(17) C(2) 3.60(3) ? . 1_455 C(18) O(7) 3.25(2) ? . . C(18) O(22) 3.59(2) ? . 2_667 C(21) O(3) 3.33(5) ? . 2_656 C(21) O(39) 3.49(4) ? . . C(21) O(41) 3.35(9) ? . 2_656 C(22) O(19) 3.53(4) ? . . C(22) O(39) 3.55(3) ? . . C(24) O(40) 3.40(5) ? . . Cu(1) O(34) 2.289(13) ? . . Cu(1) Cu(2) 3.102(3) ? . . Cu(1) Cu(2) 3.091(3) ? . 2_666 Cu(1) Cu(1) 5.356(3) ? . 2_666 Cu(2) Cu(2) 3.110(2) ? . 2_666 Ge(1) Ge(1) 5.760(3) ? . 2_666