_symmetry_cell_setting            'triclinic' 
_symmetry_space_group_name_H-M    'P -1' 
 
_cell_length_a                    11.4553(12) 
_cell_length_b                    12.7218(13) 
_cell_length_c                    15.2644(16) 
_cell_angle_alpha                 102.880(2) 
_cell_angle_beta                  95.534(2) 
_cell_angle_gamma                 94.955(2) 
_cell_volume                      2145.1(4) 
_cell_formula_units_Z             1 
 
_diffrn_ambient_temperature       120(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   'CCD area detector' 

_refine_ls_number_reflns          7438 
_refine_ls_number_parameters      432 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0482 
_refine_ls_R_factor_gt            0.0370 
 
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 
Ge1 Ge 0.51449(5) 0.14107(4) 0.76016(4) 0.01676(14) Uani 1 1 d . . . 
Ge2 Ge 0.39855(5) 0.26319(4) 0.62644(4) 0.01669(14) Uani 1 1 d . . . 
Cu1 Cu 0.57763(7) 0.02596(6) 0.63846(5) 0.0324(2) Uani 1 1 d . . . 
Cu2 Cu 0.41782(6) 0.12254(5) 0.50609(5) 0.02504(18) Uani 1 1 d . . . 
O1 O 0.4371(3) 0.2543(3) 0.7423(3) 0.0189(8) Uani 1 1 d . . . 
I1 I 0.64868(3) 0.08643(3) 0.48938(3) 0.01986(11) Uani 1 1 d . . . 
I2 I 0.31331(3) 0.14297(3) 0.34842(3) 0.02505(12) Uani 1 1 d . . . 
Cl1 Cl 0.20638(15) 0.47882(14) 0.87204(12) 0.0409(4) Uani 1 1 d . . . 
Cl2 Cl 0.36107(17) 0.39805(14) 0.99854(13) 0.0469(5) Uani 1 1 d . . . 
Cl4 Cl 0.9988(2) 0.6739(2) 0.8346(2) 0.0790(7) Uani 1 1 d . . . 
Cl3 Cl 0.9465(2) 0.88440(18) 0.93052(17) 0.0696(6) Uani 1 1 d . . . 
N4 N 0.2605(4) 0.3379(4) 0.6433(3) 0.0200(10) Uani 1 1 d . . . 
N1 N 0.4199(4) 0.0791(3) 0.8381(3) 0.0186(10) Uani 1 1 d . . . 
N3 N 0.4657(4) 0.4065(3) 0.6239(3) 0.0189(10) Uani 1 1 d . . . 
N2 N 0.6041(4) 0.2130(4) 0.8742(3) 0.0182(10) Uani 1 1 d . . . 
C16 C 0.3939(5) 0.4846(4) 0.6334(4) 0.0186(12) Uani 1 1 d . . . 
C22 C 0.2706(5) 0.4426(4) 0.6408(4) 0.0208(12) Uani 1 1 d . . . 
C1 C 0.4511(5) 0.1194(4) 0.9278(4) 0.0173(12) Uani 1 1 d . . . 
C7 C 0.5596(5) 0.1978(4) 0.9492(4) 0.0178(12) Uani 1 1 d . . . 
C18 C 0.3726(6) 0.6828(5) 0.6345(4) 0.0307(15) Uani 1 1 d . . . 
H18 H 0.4194 0.7464 0.6346 0.037 Uiso 1 1 calc R . . 
C3 C 0.4022(5) 0.1190(5) 1.0875(4) 0.0280(14) Uani 1 1 d . . . 
H3 H 0.3468 0.0854 1.1160 0.034 Uiso 1 1 calc R . . 
C23 C 0.5875(5) 0.4219(5) 0.6007(4) 0.0242(13) Uani 1 1 d . . . 
H23A H 0.5966 0.4876 0.5785 0.029 Uiso 1 1 calc R . . 
H23B H 0.5984 0.3617 0.5516 0.029 Uiso 1 1 calc R . . 
C6 C 0.6122(5) 0.2506(5) 1.0360(4) 0.0225(13) Uani 1 1 d . . . 
H6 H 0.6821 0.2939 1.0367 0.027 Uiso 1 1 calc R . . 
C24 C 0.1502(5) 0.2762(4) 0.6509(4) 0.0220(13) Uani 1 1 d . . . 
H24A H 0.0962 0.3261 0.6762 0.026 Uiso 1 1 calc R . . 
H24B H 0.1656 0.2299 0.6923 0.026 Uiso 1 1 calc R . . 
C2 C 0.3856(5) 0.0871(5) 0.9933(4) 0.0266(14) Uani 1 1 d . . . 
H2 H 0.3206 0.0361 0.9695 0.032 Uiso 1 1 calc R . . 
C17 C 0.4324(5) 0.5938(4) 0.6353(4) 0.0231(13) Uani 1 1 d . . . 
H17 H 0.5138 0.6082 0.6374 0.028 Uiso 1 1 calc R . . 
C21 C 0.1730(5) 0.5038(5) 0.6425(4) 0.0292(14) Uani 1 1 d . . . 
H21 H 0.1019 0.4659 0.6478 0.035 Uiso 1 1 calc R . . 
C8 C 0.3210(5) -0.0050(4) 0.7983(4) 0.0233(13) Uani 1 1 d . . . 
H8A H 0.3025 -0.0457 0.8429 0.028 Uiso 1 1 calc R . . 
H8B H 0.3452 -0.0550 0.7472 0.028 Uiso 1 1 calc R . . 
C9 C 0.7115(5) 0.2870(5) 0.8790(4) 0.0235(13) Uani 1 1 d . . . 
H9A H 0.7066 0.3535 0.9235 0.028 Uiso 1 1 calc R . . 
H9B H 0.7142 0.3054 0.8208 0.028 Uiso 1 1 calc R . . 
C10 C 0.2097(5) 0.0415(4) 0.7665(4) 0.0228(13) Uani 1 1 d . . . 
H10 H 0.2270 0.0749 0.7166 0.027 Uiso 1 1 calc R . . 
C5 C 0.5801(5) 0.2507(5) 1.1208(4) 0.0284(14) Uani 1 1 d . . . 
H5 H 0.6286 0.2974 1.1685 0.034 Uiso 1 1 calc R . . 
C25 C 0.6844(5) 0.4300(5) 0.6781(4) 0.0273(14) Uani 1 1 d . . . 
H25 H 0.6756 0.3622 0.6985 0.033 Uiso 1 1 calc R . . 
C11 C 0.8265(5) 0.2420(5) 0.9034(5) 0.0299(14) Uani 1 1 d . . . 
H11 H 0.8274 0.2298 0.9646 0.036 Uiso 1 1 calc R . . 
C4 C 0.4873(6) 0.1924(5) 1.1457(4) 0.0330(15) Uani 1 1 d . . . 
H4 H 0.4811 0.2032 1.2073 0.040 Uiso 1 1 calc R . . 
C19 C 0.2534(6) 0.6917(5) 0.6335(5) 0.0329(15) Uani 1 1 d . . . 
H19 H 0.2289 0.7585 0.6296 0.039 Uiso 1 1 calc R . . 
C28 C 0.6750(6) 0.5210(6) 0.7574(5) 0.0406(17) Uani 1 1 d . . . 
H28A H 0.6896 0.5890 0.7407 0.061 Uiso 1 1 calc R . . 
H28B H 0.7323 0.5180 0.8067 0.061 Uiso 1 1 calc R . . 
H28C H 0.5973 0.5144 0.7755 0.061 Uiso 1 1 calc R . . 
C31 C 0.3490(6) 0.4402(5) 0.8954(5) 0.0368(16) Uani 1 1 d . . . 
H31A H 0.3635 0.3813 0.8466 0.044 Uiso 1 1 calc R . . 
H31B H 0.4079 0.5010 0.8993 0.044 Uiso 1 1 calc R . . 
C26 C 0.0922(5) 0.2068(5) 0.5608(5) 0.0349(16) Uani 1 1 d . . . 
H26 H 0.1476 0.1565 0.5366 0.042 Uiso 1 1 calc R . . 
C20 C 0.1653(6) 0.6095(5) 0.6377(5) 0.0344(16) Uani 1 1 d . . . 
H20 H 0.0893 0.6301 0.6372 0.041 Uiso 1 1 calc R . . 
C13 C 0.1694(5) 0.1262(5) 0.8391(5) 0.0337(15) Uani 1 1 d . . . 
H13A H 0.1417 0.0929 0.8850 0.051 Uiso 1 1 calc R . . 
H13B H 0.1066 0.1592 0.8132 0.051 Uiso 1 1 calc R . . 
H13C H 0.2341 0.1806 0.8656 0.051 Uiso 1 1 calc R . . 
C12 C 0.1136(5) -0.0503(5) 0.7309(5) 0.0406(18) Uani 1 1 d . . . 
H12A H 0.1086 -0.0951 0.7737 0.061 Uiso 1 1 calc R . . 
H12B H 0.1311 -0.0929 0.6744 0.061 Uiso 1 1 calc R . . 
H12C H 0.0397 -0.0217 0.7218 0.061 Uiso 1 1 calc R . . 
C14 C 0.8389(6) 0.1358(5) 0.8384(6) 0.048(2) Uani 1 1 d . . . 
H14A H 0.8446 0.1480 0.7791 0.072 Uiso 1 1 calc R . . 
H14B H 0.7713 0.0849 0.8365 0.072 Uiso 1 1 calc R . . 
H14C H 0.9089 0.1072 0.8585 0.072 Uiso 1 1 calc R . . 
C29 C 0.0627(6) 0.2730(6) 0.4917(5) 0.0450(19) Uani 1 1 d . . . 
H29A H 0.0068 0.3218 0.5132 0.068 Uiso 1 1 calc R . . 
H29B H 0.0293 0.2251 0.4353 0.068 Uiso 1 1 calc R . . 
H29C H 0.1333 0.3138 0.4829 0.068 Uiso 1 1 calc R . . 
C15 C 0.9279(6) 0.3251(6) 0.9025(6) 0.051(2) Uani 1 1 d . . . 
H15A H 1.0009 0.2978 0.9175 0.077 Uiso 1 1 calc R . . 
H15B H 0.9213 0.3908 0.9461 0.077 Uiso 1 1 calc R . . 
H15C H 0.9261 0.3396 0.8433 0.077 Uiso 1 1 calc R . . 
C27 C 0.8053(6) 0.4383(7) 0.6423(6) 0.053(2) Uani 1 1 d . . . 
H27A H 0.8175 0.5051 0.6235 0.079 Uiso 1 1 calc R . . 
H27B H 0.8073 0.3784 0.5918 0.079 Uiso 1 1 calc R . . 
H27C H 0.8665 0.4365 0.6895 0.079 Uiso 1 1 calc R . . 
C30 C -0.0163(6) 0.1398(6) 0.5787(6) 0.053(2) Uani 1 1 d . . . 
H30A H 0.0064 0.1006 0.6234 0.079 Uiso 1 1 calc R . . 
H30B H -0.0501 0.0895 0.5236 0.079 Uiso 1 1 calc R . . 
H30C H -0.0734 0.1872 0.6004 0.079 Uiso 1 1 calc R . . 
C32 C 0.8898(8) 0.7605(7) 0.8617(7) 0.072(3) Uani 1 1 d . . . 
H32A H 0.8494 0.7717 0.8062 0.087 Uiso 1 1 calc R . . 
H32B H 0.8321 0.7259 0.8918 0.087 Uiso 1 1 calc R . . 
 
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 
Ge1 0.0192(3) 0.0190(3) 0.0121(3) 0.0018(2) 0.0031(2) 0.0053(2) 
Ge2 0.0194(3) 0.0158(3) 0.0140(3) 0.0015(2) 0.0011(2) 0.0035(2) 
Cu1 0.0510(5) 0.0311(4) 0.0181(4) 0.0026(3) 0.0124(4) 0.0200(4) 
Cu2 0.0359(4) 0.0201(4) 0.0162(4) -0.0021(3) 0.0013(3) 0.0060(3) 
O1 0.025(2) 0.0185(19) 0.015(2) 0.0046(16) 0.0025(17) 0.0067(16) 
I1 0.01897(19) 0.01947(19) 0.0221(2) 0.00590(16) 0.00538(15) 0.00111(14) 
I2 0.0301(2) 0.0293(2) 0.0179(2) 0.00673(17) 0.00314(16) 0.01138(16) 
Cl1 0.0375(9) 0.0459(10) 0.0359(10) 0.0051(8) -0.0017(8) 0.0049(7) 
Cl2 0.0582(11) 0.0417(10) 0.0390(11) 0.0063(8) -0.0035(9) 0.0136(8) 
Cl4 0.0721(16) 0.0707(15) 0.085(2) -0.0040(14) 0.0050(14) 0.0210(12) 
Cl3 0.0812(16) 0.0572(13) 0.0609(15) -0.0052(11) 0.0208(12) -0.0089(11) 
N4 0.016(2) 0.023(2) 0.020(3) 0.004(2) 0.001(2) 0.0032(19) 
N1 0.018(2) 0.019(2) 0.020(3) 0.006(2) 0.002(2) 0.0043(18) 
N3 0.025(3) 0.019(2) 0.013(3) 0.004(2) 0.004(2) 0.0022(19) 
N2 0.017(2) 0.022(2) 0.016(3) 0.005(2) 0.002(2) 0.0014(19) 
C16 0.029(3) 0.021(3) 0.005(3) 0.002(2) 0.000(2) 0.002(2) 
C22 0.025(3) 0.020(3) 0.015(3) -0.001(2) 0.002(2) 0.006(2) 
C1 0.018(3) 0.018(3) 0.015(3) 0.002(2) 0.002(2) 0.007(2) 
C7 0.020(3) 0.020(3) 0.014(3) 0.005(2) 0.003(2) 0.005(2) 
C18 0.049(4) 0.023(3) 0.022(4) 0.007(3) 0.005(3) 0.006(3) 
C3 0.027(3) 0.037(3) 0.028(4) 0.018(3) 0.012(3) 0.010(3) 
C23 0.027(3) 0.026(3) 0.022(3) 0.006(3) 0.014(3) 0.003(2) 
C6 0.025(3) 0.027(3) 0.014(3) 0.003(3) 0.004(2) 0.001(2) 
C24 0.019(3) 0.021(3) 0.028(4) 0.009(3) 0.004(3) 0.000(2) 
C2 0.029(3) 0.027(3) 0.026(4) 0.012(3) 0.004(3) 0.002(3) 
C17 0.032(3) 0.022(3) 0.014(3) 0.002(2) 0.003(3) 0.003(2) 
C21 0.033(3) 0.026(3) 0.032(4) 0.011(3) 0.009(3) 0.010(3) 
C8 0.024(3) 0.018(3) 0.023(3) -0.002(2) 0.004(3) -0.002(2) 
C9 0.026(3) 0.028(3) 0.015(3) 0.004(3) 0.001(3) -0.003(2) 
C10 0.022(3) 0.021(3) 0.024(3) 0.002(3) 0.003(3) 0.003(2) 
C5 0.031(3) 0.039(4) 0.012(3) 0.001(3) -0.003(3) 0.008(3) 
C25 0.025(3) 0.029(3) 0.028(4) 0.009(3) -0.003(3) 0.000(3) 
C11 0.020(3) 0.040(4) 0.027(4) 0.002(3) 0.004(3) -0.001(3) 
C4 0.039(4) 0.046(4) 0.016(3) 0.009(3) 0.007(3) 0.008(3) 
C19 0.054(4) 0.020(3) 0.031(4) 0.012(3) 0.011(3) 0.020(3) 
C28 0.030(4) 0.057(4) 0.027(4) 0.000(3) -0.005(3) 0.000(3) 
C31 0.038(4) 0.035(4) 0.033(4) -0.003(3) 0.003(3) 0.008(3) 
C26 0.022(3) 0.028(3) 0.047(5) -0.006(3) -0.002(3) 0.002(3) 
C20 0.040(4) 0.038(4) 0.032(4) 0.015(3) 0.009(3) 0.020(3) 
C13 0.027(3) 0.036(4) 0.034(4) -0.001(3) 0.004(3) 0.008(3) 
C12 0.025(3) 0.036(4) 0.051(5) -0.006(3) -0.003(3) -0.002(3) 
C14 0.029(4) 0.041(4) 0.067(6) -0.004(4) 0.004(4) 0.007(3) 
C29 0.039(4) 0.056(5) 0.030(4) -0.008(4) -0.011(3) 0.013(3) 
C15 0.028(4) 0.057(5) 0.057(6) -0.005(4) 0.004(4) -0.009(3) 
C27 0.026(4) 0.066(5) 0.058(6) 0.000(4) 0.007(4) -0.002(3) 
C30 0.033(4) 0.046(4) 0.075(6) 0.012(4) -0.004(4) -0.002(3) 
C32 0.055(5) 0.066(6) 0.082(8) -0.007(5) -0.008(5) 0.008(4)