#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/99/4329996.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_4329996
loop_
_publ_author_name
'Na Zhao'
'Jinyuan Zhang'
'Ying Yang'
'Hongping Zhu'
'Yan Li'
'Gang Fu'
_publ_section_title
;
 β-Diketiminate Germylene-Supported Pentafluorophenylcopper(I) and
 -silver(I) Complexes [LGe(Me)(CuC6F5)n]2 (n = 1, 2),
 LGe[C(SiMe3)N2]AgC6F5, and {LGe[C(SiMe3)N2](AgC6F5)2}2 (L =
 HC[C(Me)N-2,6-iPr2C6H3]2): Synthesis and Structural Characterization
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8710
_journal_page_last               8718
_journal_paper_doi               10.1021/ic300216m
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C87.5 H92 Cu4 F20 Ge2 N4'
_chemical_formula_weight         1978.99
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.49(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.638(3)
_cell_length_b                   21.394(4)
_cell_length_c                   16.103(3)
_cell_measurement_temperature    173(2)
_cell_volume                     4527.7(17)
_computing_cell_refinement       'rapid auto (rigaku 2004)'
_computing_data_collection       'rapid auto (rigaku 2004)'
_computing_data_reduction        'rapid auto (rigaku 2004)'
_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      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'rigaku raxis rapid IP area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_sigmaI/netI    0.0311
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            53752
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    1.663
_exptl_absorpt_correction_T_max  0.6910
_exptl_absorpt_correction_T_min  0.6017
_exptl_absorpt_correction_type   'empirical absorption correction'
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_description       block
_exptl_crystal_F_000             2010
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.004
_refine_diff_density_min         -0.442
_refine_diff_density_rms         0.084
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment
'refined in a riding mode to the carrier atom'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     553
_refine_ls_number_reflns         8845
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0410
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1266
_refine_ls_wR_factor_ref         0.1350
_reflns_number_gt                7137
_reflns_number_total             8845
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300216m_si_002_2.cif
_cod_data_source_block           compound_2
_cod_original_cell_volume        4527.7(16)
_cod_original_formula_sum        'C87.50 H92 Cu4 F20 Ge2 N4'
_cod_database_code               4329996
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.65849(2) 0.176729(15) 0.768491(18) 0.02823(11) Uani 1 1 d . . .
Cu1 Cu 0.54848(3) 0.112206(18) 0.67465(2) 0.03441(12) Uani 1 1 d . . .
Cu2 Cu 0.49973(3) 0.034609(17) 0.56217(2) 0.03239(12) Uani 1 1 d . . .
N1 N 0.72712(17) 0.24498(12) 0.72592(15) 0.0296(5) Uani 1 1 d . . .
N2 N 0.58781(18) 0.23182(12) 0.82913(15) 0.0310(6) Uani 1 1 d . . .
F1 F 0.70983(19) -0.02291(12) 0.63665(16) 0.0685(7) Uani 1 1 d . . .
F2 F 0.8885(2) -0.00736(16) 0.5997(2) 0.1077(12) Uani 1 1 d . . .
F3 F 0.8976(3) 0.06225(18) 0.4597(3) 0.1268(15) Uani 1 1 d . . .
F4 F 0.7263(3) 0.11503(14) 0.35865(19) 0.1010(12) Uani 1 1 d . . .
F5 F 0.5496(2) 0.10070(11) 0.39624(14) 0.0660(7) Uani 1 1 d . . .
F6 F 0.31153(15) 0.12019(10) 0.54579(12) 0.0468(5) Uani 1 1 d . . .
F7 F 0.15775(17) 0.10535(13) 0.61914(16) 0.0672(7) Uani 1 1 d . . .
F8 F 0.1824(2) 0.03168(14) 0.76025(17) 0.0773(8) Uani 1 1 d . . .
F9 F 0.3626(2) -0.02585(13) 0.82851(15) 0.0757(8) Uani 1 1 d . . .
F10 F 0.51826(17) -0.01140(11) 0.75736(13) 0.0564(6) Uani 1 1 d . . .
C1 C 0.8137(3) 0.34655(19) 0.7422(3) 0.0548(10) Uani 1 1 d . . .
H1A H 0.8120 0.3397 0.6817 0.082 Uiso 1 1 calc R . .
H1B H 0.8841 0.3437 0.7779 0.082 Uiso 1 1 calc R . .
H1C H 0.7865 0.3881 0.7487 0.082 Uiso 1 1 calc R . .
C2 C 0.7500(2) 0.29756(16) 0.7704(2) 0.0371(7) Uani 1 1 d . . .
C3 C 0.7136(3) 0.31210(17) 0.8422(2) 0.0423(8) Uani 1 1 d . . .
H3A H 0.7489 0.3440 0.8793 0.051 Uiso 1 1 calc R . .
C4 C 0.6313(2) 0.28486(17) 0.8650(2) 0.0371(7) Uani 1 1 d . . .
C5 C 0.5908(3) 0.31680(19) 0.9319(2) 0.0513(10) Uani 1 1 d . . .
H5A H 0.5170 0.3106 0.9185 0.077 Uiso 1 1 calc R . .
H5B H 0.6057 0.3616 0.9321 0.077 Uiso 1 1 calc R . .
H5C H 0.6232 0.2991 0.9887 0.077 Uiso 1 1 calc R . .
C7 C 0.7714(2) 0.14822(18) 0.8649(2) 0.0437(8) Uani 1 1 d . . .
H7A H 0.8002 0.1840 0.9012 0.066 Uiso 1 1 calc R . .
H7B H 0.8242 0.1290 0.8422 0.066 Uiso 1 1 calc R . .
H7C H 0.7461 0.1174 0.8992 0.066 Uiso 1 1 calc R . .
C11 C 0.7600(2) 0.23381(14) 0.64848(18) 0.0297(6) Uani 1 1 d . A .
C12 C 0.8599(2) 0.21214(17) 0.65525(19) 0.0368(7) Uani 1 1 d . . .
C13 C 0.8895(2) 0.20230(17) 0.5801(2) 0.0379(7) Uani 1 1 d . A .
H13A H 0.9558 0.1868 0.5836 0.045 Uiso 1 1 calc R . .
C14 C 0.8244(2) 0.21458(17) 0.5010(2) 0.0403(8) Uani 1 1 d . . .
H14A H 0.8470 0.2098 0.4504 0.048 Uiso 1 1 calc R A .
C15 C 0.7265(2) 0.23371(16) 0.4945(2) 0.0386(7) Uani 1 1 d . A .
H15A H 0.6814 0.2403 0.4390 0.046 Uiso 1 1 calc R . .
C16 C 0.6914(2) 0.24376(14) 0.56804(19) 0.0329(7) Uani 1 1 d . . .
C21 C 0.4873(2) 0.21318(16) 0.8349(2) 0.0347(7) Uani 1 1 d . . .
C22 C 0.4789(3) 0.16886(16) 0.8972(2) 0.0396(8) Uani 1 1 d . . .
C23 C 0.3811(3) 0.14788(19) 0.8956(3) 0.0505(9) Uani 1 1 d . . .
H23A H 0.3731 0.1169 0.9356 0.061 Uiso 1 1 calc R . .
C24 C 0.2959(3) 0.1716(2) 0.8369(3) 0.0551(11) Uani 1 1 d . . .
H24A H 0.2301 0.1568 0.8367 0.066 Uiso 1 1 calc R . .
C25 C 0.3061(3) 0.2162(2) 0.7793(2) 0.0487(9) Uani 1 1 d . . .
H25A H 0.2469 0.2328 0.7403 0.058 Uiso 1 1 calc R . .
C26 C 0.4013(2) 0.23813(18) 0.7762(2) 0.0421(8) Uani 1 1 d . . .
C31 C 0.6209(3) 0.03837(15) 0.5196(2) 0.0373(7) Uani 1 1 d . . .
C32 C 0.7101(3) 0.01250(18) 0.5676(3) 0.0484(9) Uani 1 1 d . . .
C33 C 0.8039(3) 0.0199(2) 0.5486(4) 0.0695(13) Uani 1 1 d . . .
C34 C 0.8082(4) 0.0548(2) 0.4788(4) 0.0734(15) Uani 1 1 d . . .
C35 C 0.7221(4) 0.0821(2) 0.4291(3) 0.0669(13) Uani 1 1 d . . .
C36 C 0.6325(3) 0.07435(17) 0.4506(2) 0.0485(9) Uani 1 1 d . . .
C41 C 0.4231(2) 0.05615(15) 0.64864(19) 0.0341(7) Uani 1 1 d . . .
C42 C 0.3286(3) 0.08384(15) 0.6173(2) 0.0357(7) Uani 1 1 d . . .
C43 C 0.2477(3) 0.07684(18) 0.6529(2) 0.0448(8) Uani 1 1 d . . .
C44 C 0.2600(3) 0.03917(19) 0.7242(2) 0.0506(9) Uani 1 1 d . . .
C45 C 0.3515(3) 0.00949(18) 0.7587(2) 0.0477(9) Uani 1 1 d . . .
C46 C 0.4299(3) 0.01834(16) 0.7208(2) 0.0394(7) Uani 1 1 d . . .
C121 C 0.9341(5) 0.1881(5) 0.7399(4) 0.0325(18) Uiso 0.555(17) 1 d P A 2
H12A H 0.9045 0.1990 0.7886 0.039 Uiso 0.555(17) 1 calc PR A 2
C122 C 1.0345(5) 0.2255(5) 0.7524(5) 0.046(2) Uiso 0.555(17) 1 d P A 2
H12B H 1.0835 0.2121 0.8057 0.069 Uiso 0.555(17) 1 calc PR A 2
H12C H 1.0206 0.2703 0.7558 0.069 Uiso 0.555(17) 1 calc PR A 2
H12D H 1.0628 0.2179 0.7034 0.069 Uiso 0.555(17) 1 calc PR A 2
C123 C 0.9548(7) 0.1193(5) 0.7439(5) 0.049(2) Uiso 0.555(17) 1 d P A 2
H12E H 0.8905 0.0964 0.7345 0.073 Uiso 0.555(17) 1 calc PR A 2
H12F H 0.9993 0.1085 0.8006 0.073 Uiso 0.555(17) 1 calc PR A 2
H12G H 0.9881 0.1078 0.6992 0.073 Uiso 0.555(17) 1 calc PR A 2
C12A C 0.9404(5) 0.2102(5) 0.7416(4) 0.025(2) Uiso 0.445(17) 1 d P A 1
H12H H 0.9072 0.2209 0.7881 0.030 Uiso 0.445(17) 1 calc PR A 1
C12B C 0.9752(7) 0.1424(6) 0.7531(6) 0.041(2) Uiso 0.445(17) 1 d P A 1
H12I H 0.9157 0.1148 0.7388 0.061 Uiso 0.445(17) 1 calc PR A 1
H12J H 1.0139 0.1353 0.8130 0.061 Uiso 0.445(17) 1 calc PR A 1
H12K H 1.0185 0.1333 0.7148 0.061 Uiso 0.445(17) 1 calc PR A 1
C12C C 1.0299(6) 0.2532(6) 0.7493(5) 0.035(2) Uiso 0.445(17) 1 d P A 1
H12L H 1.0723 0.2532 0.8089 0.053 Uiso 0.445(17) 1 calc PR A 1
H12M H 1.0054 0.2957 0.7329 0.053 Uiso 0.445(17) 1 calc PR A 1
H12N H 1.0703 0.2387 0.7110 0.053 Uiso 0.445(17) 1 calc PR A 1
C161 C 0.5825(2) 0.26529(17) 0.5566(2) 0.0405(8) Uani 1 1 d . A .
H16A H 0.5666 0.2622 0.6135 0.049 Uiso 1 1 calc R . .
C162 C 0.5723(4) 0.3331(2) 0.5282(4) 0.0759(14) Uani 1 1 d . . .
H16B H 0.6197 0.3588 0.5711 0.114 Uiso 1 1 calc R A .
H16C H 0.5025 0.3473 0.5225 0.114 Uiso 1 1 calc R . .
H16D H 0.5880 0.3371 0.4725 0.114 Uiso 1 1 calc R . .
C163 C 0.5064(3) 0.2259(2) 0.4922(3) 0.0544(10) Uani 1 1 d . . .
H16E H 0.5111 0.1824 0.5120 0.082 Uiso 1 1 calc R A .
H16F H 0.5213 0.2280 0.4360 0.082 Uiso 1 1 calc R . .
H16G H 0.4376 0.2416 0.4869 0.082 Uiso 1 1 calc R . .
C221 C 0.5691(3) 0.14379(18) 0.9659(2) 0.0449(8) Uani 1 1 d . . .
H22A H 0.6315 0.1654 0.9592 0.054 Uiso 1 1 calc R . .
C222 C 0.5831(3) 0.0728(2) 0.9549(3) 0.0619(11) Uani 1 1 d . . .
H22B H 0.5879 0.0644 0.8963 0.093 Uiso 1 1 calc R . .
H22C H 0.5247 0.0503 0.9649 0.093 Uiso 1 1 calc R . .
H22D H 0.6456 0.0588 0.9966 0.093 Uiso 1 1 calc R . .
C223 C 0.5584(3) 0.1589(2) 1.0567(3) 0.0637(11) Uani 1 1 d . . .
H22E H 0.5492 0.2040 1.0619 0.096 Uiso 1 1 calc R . .
H22F H 0.6199 0.1454 1.1000 0.096 Uiso 1 1 calc R . .
H22G H 0.4993 0.1368 1.0660 0.096 Uiso 1 1 calc R . .
C261 C 0.4084(3) 0.28799(19) 0.7104(2) 0.0472(9) Uani 1 1 d . . .
H26A H 0.4808 0.2901 0.7077 0.057 Uiso 1 1 calc R . .
C262 C 0.3782(5) 0.3535(2) 0.7362(3) 0.0859(16) Uani 1 1 d . . .
H26B H 0.4277 0.3673 0.7890 0.129 Uiso 1 1 calc R . .
H26C H 0.3104 0.3515 0.7461 0.129 Uiso 1 1 calc R . .
H26D H 0.3772 0.3833 0.6897 0.129 Uiso 1 1 calc R . .
C263 C 0.3423(4) 0.2728(2) 0.6203(3) 0.0686(12) Uani 1 1 d . . .
H26E H 0.3612 0.2317 0.6026 0.103 Uiso 1 1 calc R . .
H26F H 0.3528 0.3046 0.5796 0.103 Uiso 1 1 calc R . .
H26G H 0.2706 0.2724 0.6206 0.103 Uiso 1 1 calc R . .
C51 C 0.5051(16) 0.4975(8) 0.5483(13) 0.057(4) Uiso 0.25 1 d P . .
C52 C 0.3726(16) 0.5052(9) 0.5345(15) 0.068(5) Uiso 0.25 1 d P . .
C53 C 0.621(2) 0.4838(14) 0.6337(18) 0.110(8) Uiso 0.25 1 d P . .
C57 C 0.5327(19) 0.4906(12) 0.6108(16) 0.089(6) Uiso 0.25 1 d P . .
C56 C 0.6287(18) 0.4931(11) 0.5167(16) 0.083(6) Uiso 0.25 1 d P . .
C55 C 0.4567(16) 0.5009(8) 0.5155(12) 0.054(4) Uiso 0.25 1 d P . .
C54 C 0.437(2) 0.4945(11) 0.5667(15) 0.081(6) Uiso 0.25 1 d P . .
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'
F F 0.0171 0.0103 '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'
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
N2 Ge1 N1 94.09(11) . .
N2 Ge1 C7 100.40(13) . .
N1 Ge1 C7 99.25(13) . .
N2 Ge1 Cu1 111.86(7) . .
N1 Ge1 Cu1 120.69(7) . .
C7 Ge1 Cu1 124.82(12) . .
C41 Cu1 Ge1 149.01(9) . .
C41 Cu1 Cu2 52.69(9) . .
Ge1 Cu1 Cu2 155.64(2) . .
C31 Cu2 C41 151.81(13) . .
C31 Cu2 C31 110.85(10) . 3_656
C41 Cu2 C31 97.04(12) . 3_656
C31 Cu2 Cu1 98.38(10) . .
C41 Cu2 Cu1 53.95(9) . .
C31 Cu2 Cu1 150.73(8) 3_656 .
C31 Cu2 Cu2 63.76(10) . 3_656
C41 Cu2 Cu2 143.94(9) . 3_656
C31 Cu2 Cu2 47.09(8) 3_656 3_656
Cu1 Cu2 Cu2 162.09(3) . 3_656
C2 N1 C11 121.4(3) . .
C2 N1 Ge1 120.7(2) . .
C11 N1 Ge1 117.68(19) . .
C4 N2 C21 121.5(2) . .
C4 N2 Ge1 120.6(2) . .
C21 N2 Ge1 117.92(19) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 C3 123.2(3) . .
N1 C2 C1 119.9(3) . .
C3 C2 C1 116.8(3) . .
C4 C3 C2 127.4(3) . .
C4 C3 H3A 116.3 . .
C2 C3 H3A 116.3 . .
N2 C4 C3 122.3(3) . .
N2 C4 C5 119.4(3) . .
C3 C4 C5 118.3(3) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Ge1 C7 H7A 109.5 . .
Ge1 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
Ge1 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C16 C11 C12 120.9(3) . .
C16 C11 N1 119.1(3) . .
C12 C11 N1 119.9(3) . .
C13 C12 C11 118.6(3) . .
C13 C12 C12A 119.0(4) . .
C11 C12 C12A 121.5(4) . .
C13 C12 C121 116.3(4) . .
C11 C12 C121 124.3(3) . .
C12A C12 C121 17.9(3) . .
C14 C13 C12 120.9(3) . .
C14 C13 H13A 119.5 . .
C12 C13 H13A 119.5 . .
C13 C14 C15 120.2(3) . .
C13 C14 H14A 119.9 . .
C15 C14 H14A 119.9 . .
C14 C15 C16 121.6(3) . .
C14 C15 H15A 119.2 . .
C16 C15 H15A 119.2 . .
C11 C16 C15 117.6(3) . .
C11 C16 C161 123.4(3) . .
C15 C16 C161 119.0(3) . .
C26 C21 C22 121.7(3) . .
C26 C21 N2 119.1(3) . .
C22 C21 N2 119.2(3) . .
C23 C22 C21 117.4(3) . .
C23 C22 C221 118.8(3) . .
C21 C22 C221 123.7(3) . .
C24 C23 C22 121.1(4) . .
C24 C23 H23A 119.4 . .
C22 C23 H23A 119.4 . .
C25 C24 C23 120.1(3) . .
C25 C24 H24A 120.0 . .
C23 C24 H24A 120.0 . .
C24 C25 C26 121.7(4) . .
C24 C25 H25A 119.2 . .
C26 C25 H25A 119.2 . .
C25 C26 C21 117.9(4) . .
C25 C26 C261 119.5(3) . .
C21 C26 C261 122.6(3) . .
C32 C31 C36 113.6(3) . .
C32 C31 Cu2 119.4(3) . .
C36 C31 Cu2 126.1(3) . .
C32 C31 Cu2 115.0(2) . 3_656
C36 C31 Cu2 97.4(2) . 3_656
Cu2 C31 Cu2 69.15(10) . 3_656
F1 C32 C31 119.7(3) . .
F1 C32 C33 116.6(4) . .
C31 C32 C33 123.7(4) . .
F2 C33 C34 121.2(4) . .
F2 C33 C32 119.8(5) . .
C34 C33 C32 119.0(4) . .
F3 C34 C35 120.6(5) . .
F3 C34 C33 119.6(6) . .
C35 C34 C33 119.8(4) . .
F4 C35 C34 119.5(4) . .
F4 C35 C36 121.1(5) . .
C34 C35 C36 119.3(4) . .
F5 C36 C35 115.8(4) . .
F5 C36 C31 119.5(3) . .
C35 C36 C31 124.5(4) . .
C42 C41 C46 113.5(3) . .
C42 C41 Cu2 116.9(2) . .
C46 C41 Cu2 120.8(2) . .
C42 C41 Cu1 118.1(2) . .
C46 C41 Cu1 107.7(2) . .
Cu2 C41 Cu1 73.35(11) . .
F6 C42 C43 116.1(3) . .
F6 C42 C41 119.1(3) . .
C43 C42 C41 124.9(3) . .
F7 C43 C44 119.7(3) . .
F7 C43 C42 121.8(3) . .
C44 C43 C42 118.5(3) . .
F8 C44 C43 119.7(4) . .
F8 C44 C45 120.2(3) . .
C43 C44 C45 120.1(3) . .
F9 C45 C44 119.3(3) . .
F9 C45 C46 121.7(4) . .
C44 C45 C46 119.0(3) . .
F10 C46 C45 116.7(3) . .
F10 C46 C41 119.2(3) . .
C45 C46 C41 124.0(3) . .
C123 C121 C12 115.7(6) . .
C123 C121 C122 110.6(6) . .
C12 C121 C122 106.7(5) . .
C123 C121 H12A 107.8 . .
C12 C121 H12A 107.8 . .
C122 C121 H12A 107.8 . .
C121 C122 H12B 109.5 . .
C121 C122 H12C 109.5 . .
H12B C122 H12C 109.5 . .
C121 C122 H12D 109.5 . .
H12B C122 H12D 109.5 . .
H12C C122 H12D 109.5 . .
C121 C123 H12E 109.5 . .
C121 C123 H12F 109.5 . .
H12E C123 H12F 109.5 . .
C121 C123 H12G 109.5 . .
H12E C123 H12G 109.5 . .
H12F C123 H12G 109.5 . .
C12C C12A C12B 110.6(7) . .
C12C C12A C12 115.3(6) . .
C12B C12A C12 105.2(6) . .
C12C C12A H12H 108.5 . .
C12B C12A H12H 108.5 . .
C12 C12A H12H 108.5 . .
C163 C161 C162 109.6(3) . .
C163 C161 C16 112.6(3) . .
C162 C161 C16 109.6(3) . .
C163 C161 H16A 108.3 . .
C162 C161 H16A 108.3 . .
C16 C161 H16A 108.3 . .
C161 C162 H16B 109.5 . .
C161 C162 H16C 109.5 . .
H16B C162 H16C 109.5 . .
C161 C162 H16D 109.5 . .
H16B C162 H16D 109.5 . .
H16C C162 H16D 109.5 . .
C161 C163 H16E 109.5 . .
C161 C163 H16F 109.5 . .
H16E C163 H16F 109.5 . .
C161 C163 H16G 109.5 . .
H16E C163 H16G 109.5 . .
H16F C163 H16G 109.5 . .
C22 C221 C223 110.8(3) . .
C22 C221 C222 111.4(3) . .
C223 C221 C222 111.1(3) . .
C22 C221 H22A 107.8 . .
C223 C221 H22A 107.8 . .
C222 C221 H22A 107.8 . .
C221 C222 H22B 109.5 . .
C221 C222 H22C 109.5 . .
H22B C222 H22C 109.5 . .
C221 C222 H22D 109.5 . .
H22B C222 H22D 109.5 . .
H22C C222 H22D 109.5 . .
C221 C223 H22E 109.5 . .
C221 C223 H22F 109.5 . .
H22E C223 H22F 109.5 . .
C221 C223 H22G 109.5 . .
H22E C223 H22G 109.5 . .
H22F C223 H22G 109.5 . .
C26 C261 C263 112.4(4) . .
C26 C261 C262 112.1(3) . .
C263 C261 C262 108.4(3) . .
C26 C261 H26A 107.9 . .
C263 C261 H26A 107.9 . .
C262 C261 H26A 107.9 . .
C261 C262 H26B 109.5 . .
C261 C262 H26C 109.5 . .
H26B C262 H26C 109.5 . .
C261 C262 H26D 109.5 . .
H26B C262 H26D 109.5 . .
H26C C262 H26D 109.5 . .
C261 C263 H26E 109.5 . .
C261 C263 H26F 109.5 . .
H26E C263 H26F 109.5 . .
C261 C263 H26G 109.5 . .
H26E C263 H26G 109.5 . .
H26F C263 H26G 109.5 . .
C55 C51 C57 141(3) . .
C55 C51 C54 61(2) . .
C57 C51 C54 80(2) . .
C55 C51 C55 84(3) . 3_666
C57 C51 C55 134(3) . 3_666
C54 C51 C55 145(3) . 3_666
C55 C51 C51 56(2) . 3_666
C57 C51 C51 163(3) . 3_666
C54 C51 C51 116(3) . 3_666
C55 C51 C51 28.4(11) 3_666 3_666
C55 C51 C52 37(2) . .
C57 C51 C52 104(2) . .
C54 C51 C52 24.4(16) . .
C55 C51 C52 122(2) 3_666 .
C51 C51 C52 93.1(19) 3_666 .
C55 C51 C53 175(3) . .
C57 C51 C53 35.7(19) . .
C54 C51 C53 116(2) . .
C55 C51 C53 99(2) 3_666 .
C51 C51 C53 127(2) 3_666 .
C52 C51 C53 139.6(17) . .
C55 C51 C56 11(2) . 3_666
C57 C51 C56 130(2) . 3_666
C54 C51 C56 49.9(18) . 3_666
C55 C51 C56 95(2) 3_666 3_666
C51 C51 C56 67.1(17) 3_666 3_666
C52 C51 C56 26.1(8) . 3_666
C53 C51 C56 165.5(17) . 3_666
C55 C51 C56 121(3) . .
C57 C51 C56 98(2) . .
C54 C51 C56 174(2) . .
C55 C51 C56 36.4(14) 3_666 .
C51 C51 C56 64.8(14) 3_666 .
C52 C51 C56 157.9(16) . .
C53 C51 C56 62.4(13) . .
C56 C51 C56 131.9(13) 3_666 .
C56 C52 C54 110(3) 3_666 .
C56 C52 C55 62(2) 3_666 .
C54 C52 C55 47.9(19) . .
C56 C52 C51 83(2) 3_666 .
C54 C52 C51 28.1(19) . .
C55 C52 C51 20.4(11) . .
C57 C53 C51 29.4(15) . .
C57 C53 C56 90(2) . .
C51 C53 C56 60.5(12) . .
C51 C57 C53 115(3) . .
C51 C57 C54 52.0(19) . .
C53 C57 C54 166(3) . .
C51 C57 C55 16.5(15) . .
C53 C57 C55 131(3) . .
C54 C57 C55 35.5(12) . .
C52 C56 C55 78(3) 3_666 3_666
C52 C56 C54 37(2) 3_666 3_666
C55 C56 C54 41.2(14) 3_666 3_666
C52 C56 C51 71(2) 3_666 3_666
C55 C56 C51 7.1(13) 3_666 3_666
C54 C56 C51 34.3(12) 3_666 3_666
C52 C56 C51 119(3) 3_666 .
C55 C56 C51 41.1(15) 3_666 .
C54 C56 C51 82.1(18) 3_666 .
C51 C56 C51 48.1(13) 3_666 .
C52 C56 C53 175(3) 3_666 .
C55 C56 C53 98(2) 3_666 .
C54 C56 C53 139(2) 3_666 .
C51 C56 C53 105.2(17) 3_666 .
C51 C56 C53 57.1(13) . .
C51 C55 C54 77(3) . .
C51 C55 C56 162(3) . 3_666
C54 C55 C56 85(2) . 3_666
C51 C55 C52 122(3) . .
C54 C55 C52 46.5(18) . .
C56 C55 C52 39.4(14) 3_666 .
C51 C55 C51 96(3) . 3_666
C54 C55 C51 170(3) . 3_666
C56 C55 C51 103(3) 3_666 3_666
C52 C55 C51 142(3) . 3_666
C51 C55 C55 64(3) . 3_666
C54 C55 C55 141(3) . 3_666
C56 C55 C55 134(3) 3_666 3_666
C52 C55 C55 173(3) . 3_666
C51 C55 C55 31.2(11) 3_666 3_666
C51 C55 C57 23(2) . .
C54 C55 C57 54(2) . .
C56 C55 C57 139(2) 3_666 .
C52 C55 C57 100.0(18) . .
C51 C55 C57 118(2) 3_666 .
C55 C55 C57 87(2) 3_666 .
C52 C54 C55 86(3) . .
C52 C54 C51 127(3) . .
C55 C54 C51 42.6(17) . .
C52 C54 C57 169(3) . .
C55 C54 C57 90(3) . .
C51 C54 C57 47.8(17) . .
C52 C54 C56 32.9(17) . 3_666
C55 C54 C56 53(2) . 3_666
C51 C54 C56 96(2) . 3_666
C57 C54 C56 144(3) . 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 N2 1.943(2) .
Ge1 N1 1.955(3) .
Ge1 C7 1.969(3) .
Ge1 Cu1 2.2867(7) .
Cu1 C41 2.039(3) .
Cu1 Cu2 2.4157(7) .
Cu2 C31 1.953(3) .
Cu2 C41 2.005(3) .
Cu2 C31 2.392(3) 3_656
Cu2 Cu2 2.4919(8) 3_656
N1 C2 1.325(4) .
N1 C11 1.453(4) .
N2 C4 1.338(4) .
N2 C21 1.454(4) .
F1 C32 1.347(5) .
F2 C33 1.357(6) .
F3 C34 1.343(5) .
F4 C35 1.351(5) .
F5 C36 1.354(5) .
F6 C42 1.358(4) .
F7 C43 1.348(4) .
F8 C44 1.346(4) .
F9 C45 1.329(4) .
F10 C46 1.351(4) .
C1 C2 1.507(5) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.410(4) .
C3 C4 1.397(5) .
C3 H3A 0.9500 .
C4 C5 1.500(4) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C11 C16 1.397(4) .
C11 C12 1.416(4) .
C12 C13 1.390(4) .
C12 C12A 1.525(8) .
C12 C121 1.553(7) .
C13 C14 1.370(5) .
C13 H13A 0.9500 .
C14 C15 1.373(5) .
C14 H14A 0.9500 .
C15 C16 1.408(4) .
C15 H15A 0.9500 .
C16 C161 1.518(4) .
C21 C26 1.401(5) .
C21 C22 1.407(5) .
C22 C23 1.402(5) .
C22 C221 1.515(5) .
C23 C24 1.384(6) .
C23 H23A 0.9500 .
C24 C25 1.365(6) .
C24 H24A 0.9500 .
C25 C26 1.393(5) .
C25 H25A 0.9500 .
C26 C261 1.524(5) .
C31 C32 1.371(5) .
C31 C36 1.395(5) .
C31 Cu2 2.392(3) 3_656
C32 C33 1.402(6) .
C33 C34 1.365(7) .
C34 C35 1.363(7) .
C35 C36 1.366(6) .
C41 C42 1.385(5) .
C41 C46 1.398(4) .
C42 C43 1.379(5) .
C43 C44 1.377(5) .
C44 C45 1.377(6) .
C45 C46 1.379(5) .
C121 C123 1.498(11) .
C121 C122 1.553(10) .
C121 H12A 1.0000 .
C122 H12B 0.9800 .
C122 H12C 0.9800 .
C122 H12D 0.9800 .
C123 H12E 0.9800 .
C123 H12F 0.9800 .
C123 H12G 0.9800 .
C12A C12C 1.507(11) .
C12A C12B 1.523(12) .
C12A H12H 1.0000 .
C12B H12I 0.9800 .
C12B H12J 0.9800 .
C12B H12K 0.9800 .
C12C H12L 0.9800 .
C12C H12M 0.9800 .
C12C H12N 0.9800 .
C161 C163 1.513(5) .
C161 C162 1.517(5) .
C161 H16A 1.0000 .
C162 H16B 0.9800 .
C162 H16C 0.9800 .
C162 H16D 0.9800 .
C163 H16E 0.9800 .
C163 H16F 0.9800 .
C163 H16G 0.9800 .
C221 C223 1.541(5) .
C221 C222 1.547(6) .
C221 H22A 1.0000 .
C222 H22B 0.9800 .
C222 H22C 0.9800 .
C222 H22D 0.9800 .
C223 H22E 0.9800 .
C223 H22F 0.9800 .
C223 H22G 0.9800 .
C261 C263 1.525(5) .
C261 C262 1.549(6) .
C261 H26A 1.0000 .
C262 H26B 0.9800 .
C262 H26C 0.9800 .
C262 H26D 0.9800 .
C263 H26E 0.9800 .
C263 H26F 0.9800 .
C263 H26G 0.9800 .
C51 C55 0.73(2) .
C51 C57 0.99(3) .
C51 C54 1.05(3) .
C51 C55 1.27(2) 3_666
C51 C51 1.53(4) 3_666
C51 C52 1.77(3) .
C51 C53 1.82(4) .
C51 C56 1.86(3) 3_666
C51 C56 1.89(3) .
C52 C56 0.82(2) 3_666
C52 C54 0.92(3) .
C52 C55 1.27(3) .
C53 C57 1.17(3) .
C53 C56 1.92(4) .
C57 C54 1.31(3) .
C57 C55 1.62(3) .
C56 C52 0.82(2) 3_666
C56 C55 1.15(3) 3_666
C56 C54 1.43(3) 3_666
C56 C51 1.86(3) 3_666
C55 C54 0.94(2) .
C55 C56 1.15(3) 3_666
C55 C51 1.27(2) 3_666
C55 C55 1.40(4) 3_666
C54 C56 1.43(3) 3_666
