#------------------------------------------------------------------------------
#$Date: 2019-11-23 01:31:45 +0200 (Sat, 23 Nov 2019) $
#$Revision: 231768 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/64/4346425.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_4346425
loop_
_publ_author_name
'Yadav, Dhirendra'
'Siwatch, Rahul Kumar'
'Sinhababu, Soumen'
'Karwasara, Surendar'
'Singh, Dharmendra'
'Rajaraman, Gopalan'
'Nagendran, Selvarajan'
_publ_section_title
;
 Digermylene Oxide Stabilized Group 11 Metal Iodide Complexes.
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11067
_journal_page_last               11076
_journal_paper_doi               10.1021/acs.inorgchem.5b01436
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C60 H92 Cu4 Ge4 I4 N8 O2, 4(C H2 Cl2)'
_chemical_formula_sum            'C64 H100 Cl8 Cu4 Ge4 I4 N8 O2'
_chemical_formula_weight         2349.36
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.880(2)
_cell_angle_beta                 95.534(2)
_cell_angle_gamma                94.955(2)
_cell_formula_units_Z            1
_cell_length_a                   11.4553(12)
_cell_length_b                   12.7218(13)
_cell_length_c                   15.2644(16)
_cell_measurement_temperature    120(2)
_cell_volume                     2145.1(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0564
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11049
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    4.084
_exptl_absorpt_correction_T_max  .442
_exptl_absorpt_correction_T_min  .337
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1148
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.870
_refine_diff_density_min         -0.820
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     432
_refine_ls_number_reflns         7438
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0533P)²+0.4216P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.1086
_reflns_number_gt                6214
_reflns_number_total             7438
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01436_si_002.cif
_cod_data_source_block           compound2
_cod_database_code               4346425
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
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_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
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'
Cl Cl 0.1484 0.1585 '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'
Ge Ge 0.1547 1.8001 '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'
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
O1 Ge1 N2 97.46(18) . .
O1 Ge1 N1 102.89(17) . .
N2 Ge1 N1 81.94(19) . .
O1 Ge1 Cu1 119.73(12) . .
N2 Ge1 Cu1 128.13(13) . .
N1 Ge1 Cu1 118.69(14) . .
O1 Ge2 N4 98.45(18) . .
O1 Ge2 N3 104.04(18) . .
N4 Ge2 N3 81.17(18) . .
O1 Ge2 Cu2 121.46(11) . .
N4 Ge2 Cu2 125.60(14) . .
N3 Ge2 Cu2 117.77(14) . .
Ge1 Cu1 Cu2 162.93(5) . 2_656
Ge1 Cu1 I2 123.74(4) . 2_656
Cu2 Cu1 I2 61.68(2) 2_656 2_656
Ge1 Cu1 I1 125.02(3) . .
Cu2 Cu1 I1 61.59(2) 2_656 .
I2 Cu1 I1 105.35(3) 2_656 .
Ge2 Cu2 Cu1 173.74(4) . 2_656
Ge2 Cu2 I2 113.96(3) . .
Cu1 Cu2 I2 59.89(3) 2_656 .
Ge2 Cu2 I1 120.69(3) . 2_656
Cu1 Cu2 I1 62.07(2) 2_656 2_656
I2 Cu2 I1 104.43(3) . 2_656
Ge2 Cu2 I1 113.02(3) . .
Cu1 Cu2 I1 71.60(3) 2_656 .
I2 Cu2 I1 109.38(3) . .
I1 Cu2 I1 93.18(2) 2_656 .
Ge1 O1 Ge2 117.4(2) . .
Cu2 I1 Cu1 56.34(2) 2_656 .
Cu2 I1 Cu2 86.82(2) 2_656 .
Cu1 I1 Cu2 69.36(2) . .
Cu1 I2 Cu2 58.42(2) 2_656 .
C22 N4 C24 124.0(4) . .
C22 N4 Ge2 117.0(4) . .
C24 N4 Ge2 118.8(3) . .
C1 N1 C8 124.9(5) . .
C1 N1 Ge1 115.3(3) . .
C8 N1 Ge1 119.8(4) . .
C16 N3 C23 123.3(4) . .
C16 N3 Ge2 117.1(4) . .
C23 N3 Ge2 119.2(3) . .
C7 N2 C9 121.6(5) . .
C7 N2 Ge1 116.8(3) . .
C9 N2 Ge1 121.5(4) . .
N3 C16 C17 122.9(5) . .
N3 C16 C22 112.2(4) . .
C17 C16 C22 124.9(5) . .
N4 C22 C21 122.7(5) . .
N4 C22 C16 112.3(5) . .
C21 C22 C16 125.0(5) . .
N1 C1 C2 121.9(5) . .
N1 C1 C7 113.5(5) . .
C2 C1 C7 124.6(5) . .
N2 C7 C6 122.4(5) . .
N2 C7 C1 112.1(5) . .
C6 C7 C1 125.5(5) . .
C17 C18 C19 129.5(6) . .
C17 C18 H18 115.3 . .
C19 C18 H18 115.3 . .
C4 C3 C2 130.9(6) . .
C4 C3 H3 114.6 . .
C2 C3 H3 114.6 . .
N3 C23 C25 115.1(5) . .
N3 C23 H23A 108.5 . .
C25 C23 H23A 108.5 . .
N3 C23 H23B 108.5 . .
C25 C23 H23B 108.5 . .
H23A C23 H23B 107.5 . .
C5 C6 C7 132.2(6) . .
C5 C6 H6 113.9 . .
C7 C6 H6 113.9 . .
N4 C24 C26 112.8(5) . .
N4 C24 H24A 109.0 . .
C26 C24 H24A 109.0 . .
N4 C24 H24B 109.0 . .
C26 C24 H24B 109.0 . .
H24A C24 H24B 107.8 . .
C3 C2 C1 130.7(6) . .
C3 C2 H2 114.6 . .
C1 C2 H2 114.6 . .
C18 C17 C16 132.3(6) . .
C18 C17 H17 113.8 . .
C16 C17 H17 113.8 . .
C20 C21 C22 131.1(6) . .
C20 C21 H21 114.5 . .
C22 C21 H21 114.5 . .
N1 C8 C10 113.0(4) . .
N1 C8 H8A 109.0 . .
C10 C8 H8A 109.0 . .
N1 C8 H8B 109.0 . .
C10 C8 H8B 109.0 . .
H8A C8 H8B 107.8 . .
N2 C9 C11 114.7(5) . .
N2 C9 H9A 108.6 . .
C11 C9 H9A 108.6 . .
N2 C9 H9B 108.6 . .
C11 C9 H9B 108.6 . .
H9A C9 H9B 107.6 . .
C12 C10 C13 110.4(5) . .
C12 C10 C8 108.5(5) . .
C13 C10 C8 113.4(5) . .
C12 C10 H10 108.1 . .
C13 C10 H10 108.1 . .
C8 C10 H10 108.1 . .
C4 C5 C6 130.0(6) . .
C4 C5 H5 115.0 . .
C6 C5 H5 115.0 . .
C28 C25 C23 112.5(5) . .
C28 C25 C27 112.4(5) . .
C23 C25 C27 109.0(6) . .
C28 C25 H25 107.6 . .
C23 C25 H25 107.6 . .
C27 C25 H25 107.6 . .
C15 C11 C14 110.1(6) . .
C15 C11 C9 108.4(5) . .
C14 C11 C9 111.8(5) . .
C15 C11 H11 108.8 . .
C14 C11 H11 108.8 . .
C9 C11 H11 108.8 . .
C5 C4 C3 125.9(6) . .
C5 C4 H4 117.0 . .
C3 C4 H4 117.0 . .
C18 C19 C20 126.3(5) . .
C18 C19 H19 116.8 . .
C20 C19 H19 116.8 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
Cl2 C31 Cl1 110.4(4) . .
Cl2 C31 H31A 109.6 . .
Cl1 C31 H31A 109.6 . .
Cl2 C31 H31B 109.6 . .
Cl1 C31 H31B 109.6 . .
H31A C31 H31B 108.1 . .
C24 C26 C29 112.8(5) . .
C24 C26 C30 107.7(6) . .
C29 C26 C30 112.5(6) . .
C24 C26 H26 107.8 . .
C29 C26 H26 107.8 . .
C30 C26 H26 107.8 . .
C21 C20 C19 130.6(6) . .
C21 C20 H20 114.7 . .
C19 C20 H20 114.7 . .
C10 C13 H13A 109.5 . .
C10 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C10 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C26 C29 H29A 109.5 . .
C26 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C26 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C11 C15 H15A 109.5 . .
C11 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C11 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C30 H30A 109.5 . .
C26 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C26 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
Cl3 C32 Cl4 112.7(5) . .
Cl3 C32 H32A 109.1 . .
Cl4 C32 H32A 109.1 . .
Cl3 C32 H32B 109.1 . .
Cl4 C32 H32B 109.1 . .
H32A C32 H32B 107.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 O1 1.812(3) .
Ge1 N2 1.925(5) .
Ge1 N1 1.932(4) .
Ge1 Cu1 2.3125(9) .
Ge2 O1 1.812(4) .
Ge2 N4 1.923(4) .
Ge2 N3 1.927(4) .
Ge2 Cu2 2.3035(9) .
Cu1 Cu2 2.5732(10) 2_656
Cu1 I2 2.6129(8) 2_656
Cu1 I1 2.7316(9) .
Cu2 Cu1 2.5732(10) 2_656
Cu2 I2 2.6590(8) .
Cu2 I1 2.7194(8) 2_656
Cu2 I1 2.7490(8) .
I1 Cu2 2.7194(8) 2_656
I2 Cu1 2.6129(8) 2_656
Cl1 C31 1.772(6) .
Cl2 C31 1.770(7) .
Cl4 C32 1.755(9) .
Cl3 C32 1.722(9) .
N4 C22 1.337(7) .
N4 C24 1.457(6) .
N1 C1 1.350(7) .
N1 C8 1.472(7) .
N3 C16 1.337(7) .
N3 C23 1.480(7) .
N2 C7 1.342(7) .
N2 C9 1.469(7) .
C16 C17 1.414(8) .
C16 C22 1.490(8) .
C22 C21 1.416(8) .
C1 C2 1.417(8) .
C1 C7 1.486(7) .
C7 C6 1.396(8) .
C18 C17 1.375(8) .
C18 C19 1.379(9) .
C18 H18 0.9300 .
C3 C4 1.385(9) .
C3 C2 1.392(9) .
C3 H3 0.9300 .
C23 C25 1.521(8) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C6 C5 1.379(8) .
C6 H6 0.9300 .
C24 C26 1.514(9) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C2 H2 0.9300 .
C17 H17 0.9300 .
C21 C20 1.372(8) .
C21 H21 0.9300 .
C8 C10 1.534(8) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C11 1.526(8) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C12 1.500(8) .
C10 C13 1.502(8) .
C10 H10 0.9800 .
C5 C4 1.376(9) .
C5 H5 0.9300 .
C25 C28 1.495(9) .
C25 C27 1.541(9) .
C25 H25 0.9800 .
C11 C15 1.505(9) .
C11 C14 1.514(9) .
C11 H11 0.9800 .
C4 H4 0.9300 .
C19 C20 1.406(9) .
C19 H19 0.9300 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C26 C29 1.521(10) .
C26 C30 1.527(9) .
C26 H26 0.9800 .
C20 H20 0.9300 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 Ge1 Cu1 Cu2 -75.39(19) . 2_656
N2 Ge1 Cu1 Cu2 154.9(2) . 2_656
N1 Ge1 Cu1 Cu2 51.9(2) . 2_656
O1 Ge1 Cu1 I2 -178.80(13) . 2_656
N2 Ge1 Cu1 I2 51.53(17) . 2_656
N1 Ge1 Cu1 I2 -51.55(16) . 2_656
O1 Ge1 Cu1 I1 32.24(14) . .
N2 Ge1 Cu1 I1 -97.42(17) . .
N1 Ge1 Cu1 I1 159.49(15) . .
O1 Ge2 Cu2 Cu1 156.9(4) . 2_656
N4 Ge2 Cu2 Cu1 26.4(4) . 2_656
N3 Ge2 Cu2 Cu1 -73.0(4) . 2_656
O1 Ge2 Cu2 I2 167.89(13) . .
N4 Ge2 Cu2 I2 37.36(17) . .
N3 Ge2 Cu2 I2 -62.06(16) . .
O1 Ge2 Cu2 I1 42.37(14) . 2_656
N4 Ge2 Cu2 I1 -88.15(17) . 2_656
N3 Ge2 Cu2 I1 172.43(15) . 2_656
O1 Ge2 Cu2 I1 -66.42(14) . .
N4 Ge2 Cu2 I1 163.05(16) . .
N3 Ge2 Cu2 I1 63.63(16) . .
N2 Ge1 O1 Ge2 149.0(2) . .
N1 Ge1 O1 Ge2 -127.6(2) . .
Cu1 Ge1 O1 Ge2 6.6(3) . .
N4 Ge2 O1 Ge1 151.5(2) . .
N3 Ge2 O1 Ge1 -125.6(2) . .
Cu2 Ge2 O1 Ge1 10.2(3) . .
Ge1 Cu1 I1 Cu2 -161.46(6) . 2_656
I2 Cu1 I1 Cu2 44.95(3) 2_656 2_656
Ge1 Cu1 I1 Cu2 -61.10(4) . .
Cu2 Cu1 I1 Cu2 100.35(3) 2_656 .
I2 Cu1 I1 Cu2 145.30(4) 2_656 .
Ge2 Cu2 I1 Cu2 125.38(4) . 2_656
Cu1 Cu2 I1 Cu2 -59.15(2) 2_656 2_656
I2 Cu2 I1 Cu2 -106.51(3) . 2_656
I1 Cu2 I1 Cu2 0.0 2_656 2_656
Ge2 Cu2 I1 Cu1 70.29(3) . .
Cu1 Cu2 I1 Cu1 -114.23(3) 2_656 .
I2 Cu2 I1 Cu1 -161.59(3) . .
I1 Cu2 I1 Cu1 -55.08(2) 2_656 .
Ge2 Cu2 I2 Cu1 -178.63(4) . 2_656
I1 Cu2 I2 Cu1 -44.91(3) 2_656 2_656
I1 Cu2 I2 Cu1 53.79(3) . 2_656
O1 Ge2 N4 C22 106.4(4) . .
N3 Ge2 N4 C22 3.3(4) . .
Cu2 Ge2 N4 C22 -114.6(4) . .
O1 Ge2 N4 C24 -78.4(4) . .
N3 Ge2 N4 C24 178.6(4) . .
Cu2 Ge2 N4 C24 60.7(4) . .
O1 Ge1 N1 C1 -90.2(4) . .
N2 Ge1 N1 C1 5.7(4) . .
Cu1 Ge1 N1 C1 135.0(3) . .
O1 Ge1 N1 C8 89.3(4) . .
N2 Ge1 N1 C8 -174.9(4) . .
Cu1 Ge1 N1 C8 -45.6(4) . .
O1 Ge2 N3 C16 -96.9(4) . .
N4 Ge2 N3 C16 -0.4(4) . .
Cu2 Ge2 N3 C16 125.4(4) . .
O1 Ge2 N3 C23 90.5(4) . .
N4 Ge2 N3 C23 -173.0(4) . .
Cu2 Ge2 N3 C23 -47.2(4) . .
O1 Ge1 N2 C7 96.5(4) . .
N1 Ge1 N2 C7 -5.6(4) . .
Cu1 Ge1 N2 C7 -125.9(3) . .
O1 Ge1 N2 C9 -79.3(4) . .
N1 Ge1 N2 C9 178.7(4) . .
Cu1 Ge1 N2 C9 58.3(4) . .
C23 N3 C16 C17 -9.5(8) . .
Ge2 N3 C16 C17 178.2(4) . .
C23 N3 C16 C22 170.0(5) . .
Ge2 N3 C16 C22 -2.3(6) . .
C24 N4 C22 C21 -1.9(9) . .
Ge2 N4 C22 C21 173.1(5) . .
C24 N4 C22 C16 179.7(5) . .
Ge2 N4 C22 C16 -5.3(6) . .
N3 C16 C22 N4 4.8(7) . .
C17 C16 C22 N4 -175.7(5) . .
N3 C16 C22 C21 -173.5(6) . .
C17 C16 C22 C21 6.0(9) . .
C8 N1 C1 C2 -3.4(8) . .
Ge1 N1 C1 C2 175.9(4) . .
C8 N1 C1 C7 175.7(4) . .
Ge1 N1 C1 C7 -4.9(5) . .
C9 N2 C7 C6 -0.2(8) . .
Ge1 N2 C7 C6 -176.0(4) . .
C9 N2 C7 C1 -179.9(4) . .
Ge1 N2 C7 C1 4.3(6) . .
N1 C1 C7 N2 0.4(6) . .
C2 C1 C7 N2 179.6(5) . .
N1 C1 C7 C6 -179.3(5) . .
C2 C1 C7 C6 -0.1(9) . .
C16 N3 C23 C25 106.7(6) . .
Ge2 N3 C23 C25 -81.2(5) . .
N2 C7 C6 C5 177.1(6) . .
C1 C7 C6 C5 -3.3(10) . .
C22 N4 C24 C26 99.8(6) . .
Ge2 N4 C24 C26 -75.2(5) . .
C4 C3 C2 C1 0.4(11) . .
N1 C1 C2 C3 -179.5(6) . .
C7 C1 C2 C3 1.4(10) . .
C19 C18 C17 C16 1.6(12) . .
N3 C16 C17 C18 171.9(6) . .
C22 C16 C17 C18 -7.6(10) . .
N4 C22 C21 C20 -177.8(7) . .
C16 C22 C21 C20 0.4(11) . .
C1 N1 C8 C10 99.4(6) . .
Ge1 N1 C8 C10 -79.9(5) . .
C7 N2 C9 C11 77.3(7) . .
Ge1 N2 C9 C11 -107.1(5) . .
N1 C8 C10 C12 -177.7(5) . .
N1 C8 C10 C13 -54.6(7) . .
C7 C6 C5 C4 4.1(11) . .
N3 C23 C25 C28 -58.3(7) . .
N3 C23 C25 C27 176.3(5) . .
N2 C9 C11 C15 178.1(5) . .
N2 C9 C11 C14 56.5(7) . .
C6 C5 C4 C3 -0.9(11) . .
C2 C3 C4 C5 -1.6(11) . .
C17 C18 C19 C20 3.5(12) . .
N4 C24 C26 C29 -59.7(7) . .
N4 C24 C26 C30 175.5(5) . .
C22 C21 C20 C19 -3.1(13) . .
C18 C19 C20 C21 -1.0(13) . .
