#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/10/7021007.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_7021007
loop_
_publ_author_name
'West, Joseph K.'
'Fondong, Gregory L.'
'Noll, Bruce C.'
'Stahl, Lothar'
_publ_section_title
;
 Heavier carbene analogues and their derivatives as κ-El, κ(2)-El,N, and
 κ(2)-N,N' ligands: different reactivity patterns for acyclic and cyclic
 diamidogermylenes and -stannylenes.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3835
_journal_page_last               3842
_journal_paper_doi               10.1039/c2dt32443a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C60 H144 Cl4 Cu4 Ge6 N12 Si6, 1.55(C7 H8)'
_chemical_formula_sum            'C70.85 H156.4 Cl4 Cu4 Ge6 N12 Si6'
_chemical_formula_weight         2176.88
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_date             2012-12-15
_audit_creation_method
;
Olex2 1.2
(compiled Dec 5 2012 16:17:34, GUI svn.r4385)
;
_cell_angle_alpha                101.8801(17)
_cell_angle_beta                 111.4422(16)
_cell_angle_gamma                108.3098(16)
_cell_formula_units_Z            1
_cell_length_a                   12.6839(14)
_cell_length_b                   15.6668(17)
_cell_length_c                   16.3267(17)
_cell_measurement_reflns_used    8857
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      28.14
_cell_measurement_theta_min      2.40
_cell_volume                     2671.5(5)
_computing_cell_refinement       'Bruker SMART Version 5.632'
_computing_data_collection       'Bruker SMART Version 5.632'
_computing_data_reduction        'Bruker SAINT Version 6.45A'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20999
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.64
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.649
_exptl_absorpt_correction_T_max  0.329
_exptl_absorpt_correction_T_min  0.262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1148
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.42
_refine_diff_density_max         1.023
_refine_diff_density_min         -0.645
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         10392
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0.136
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0720P)²+0.9676P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                8682
_reflns_number_total             10392
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32443a.txt
_cod_data_source_block           1
_cod_original_formula_sum        'C70.85 H156.40 Cl4 Cu4 Ge6 N12 Si6'
_cod_database_code               7021007
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.69294(3) 1.15318(2) 0.33950(2) 0.03362(10) Uani 1 1 d . A .
Ge2 Ge 0.36615(3) 0.76669(2) -0.01802(2) 0.03081(10) Uani 1 1 d . . .
Ge3 Ge 0.71113(3) 0.94839(2) 0.17518(2) 0.02945(9) Uani 1 1 d . B .
Cu1 Cu 0.65473(3) 1.08445(3) 0.18525(3) 0.03013(10) Uani 1 1 d . . .
Cu2 Cu 0.51954(3) 0.92397(3) 0.05098(3) 0.02926(10) Uani 1 1 d . . .
Cl1 Cl 0.77957(8) 1.20514(6) 0.15744(6) 0.04007(19) Uani 1 1 d . . .
Cl2 Cl 0.44588(7) 1.04151(5) 0.07919(5) 0.03004(16) Uani 1 1 d . . .
Si1 Si 0.74722(11) 1.26115(8) 0.50796(7) 0.0487(3) Uani 1 1 d . A .
Si2 Si 0.23108(10) 0.58262(7) -0.06265(7) 0.0407(2) Uani 1 1 d . . .
Si3 Si 0.86996(9) 0.87921(7) 0.25271(7) 0.0397(2) Uani 1 1 d . B .
N1 N 0.6116(3) 1.1759(2) 0.4082(2) 0.0413(7) Uani 1 1 d . . .
N2 N 0.8318(3) 1.2394(2) 0.44965(19) 0.0392(6) Uani 1 1 d . . .
N3 N 0.3556(3) 0.64830(19) -0.0782(2) 0.0382(6) Uani 1 1 d . . .
N4 N 0.2433(3) 0.68967(19) 0.0046(2) 0.0360(6) Uani 1 1 d . . .
N5 N 0.7375(3) 0.8835(2) 0.25751(19) 0.0376(6) Uani 1 1 d . . .
N6 N 0.8544(3) 0.9432(2) 0.1771(2) 0.0384(6) Uani 1 1 d . . .
C1 C 0.7573(5) 1.3849(4) 0.5342(4) 0.0885(18) Uani 1 1 d . . .
H1A H 0.7408 1.4009 0.4772 0.133 Uiso 1 1 calc R A .
H1B H 0.8414 1.4306 0.5842 0.133 Uiso 1 1 calc R . .
H1C H 0.6952 1.3886 0.5551 0.133 Uiso 1 1 calc R . .
C2 C 0.7811(5) 1.2300(5) 0.6156(3) 0.0882(18) Uani 1 1 d . . .
H2A H 0.7702 1.1630 0.5999 0.132 Uiso 1 1 calc R A .
H2B H 0.7234 1.2377 0.6401 0.132 Uiso 1 1 calc R . .
H2C H 0.8675 1.2730 0.6637 0.132 Uiso 1 1 calc R . .
C3 C 0.0816(4) 0.5105(3) -0.1751(3) 0.0607(11) Uani 1 1 d . . .
H3A H 0.0635 0.5526 -0.2097 0.091 Uiso 1 1 calc R . .
H3B H 0.0130 0.4822 -0.1607 0.091 Uiso 1 1 calc R . .
H3C H 0.0901 0.4589 -0.2140 0.091 Uiso 1 1 calc R . .
C4 C 0.2607(5) 0.5012(3) 0.0039(3) 0.0615(11) Uani 1 1 d . . .
H4A H 0.3414 0.5370 0.0611 0.092 Uiso 1 1 calc R . .
H4B H 0.2623 0.4461 -0.0361 0.092 Uiso 1 1 calc R . .
H4C H 0.1937 0.4780 0.0214 0.092 Uiso 1 1 calc R . .
C5 C 1.0153(4) 0.9441(3) 0.3675(3) 0.0540(10) Uani 1 1 d . . .
H5A H 1.0872 0.9444 0.3577 0.081 Uiso 1 1 calc R B .
H5B H 1.0078 0.9115 0.4116 0.081 Uiso 1 1 calc R . .
H5C H 1.0275 1.0107 0.3936 0.081 Uiso 1 1 calc R . .
C6 C 0.8546(4) 0.7564(3) 0.1993(3) 0.0595(11) Uani 1 1 d . . .
H6A H 0.8352 0.7174 0.2361 0.089 Uiso 1 1 calc R B .
H6B H 0.9336 0.7610 0.1995 0.089 Uiso 1 1 calc R . .
H6C H 0.7871 0.7260 0.1342 0.089 Uiso 1 1 calc R . .
C10 C 0.481(2) 1.1372(17) 0.3786(16) 0.059(4) Uani 0.602(14) 1 d PU A 1
C11 C 0.4567(12) 1.1598(13) 0.4616(9) 0.099(5) Uani 0.602(14) 1 d PU A 1
H11A H 0.5127 1.1475 0.5130 0.149 Uiso 0.602(14) 1 calc PR A 1
H11B H 0.3694 1.1188 0.4434 0.149 Uiso 0.602(14) 1 calc PR A 1
H11C H 0.4722 1.2278 0.4829 0.149 Uiso 0.602(14) 1 calc PR A 1
C12 C 0.4102(8) 1.0341(6) 0.3180(8) 0.071(3) Uani 0.602(14) 1 d PU A 1
H12A H 0.4296 1.0226 0.2650 0.106 Uiso 0.602(14) 1 calc PR A 1
H12B H 0.3202 1.0161 0.2937 0.106 Uiso 0.602(14) 1 calc PR A 1
H12C H 0.4338 0.9952 0.3550 0.106 Uiso 0.602(14) 1 calc PR A 1
C13 C 0.4265(9) 1.1947(9) 0.3119(9) 0.086(4) Uani 0.602(14) 1 d PU A 1
H13A H 0.4577 1.2623 0.3511 0.129 Uiso 0.602(14) 1 calc PR A 1
H13B H 0.3347 1.1643 0.2815 0.129 Uiso 0.602(14) 1 calc PR A 1
H13C H 0.4547 1.1916 0.2634 0.129 Uiso 0.602(14) 1 calc PR A 1
C20 C 0.9625(3) 1.2849(3) 0.4681(2) 0.0457(8) Uani 1 1 d . A .
C21 C 1.0470(4) 1.3305(4) 0.5746(3) 0.0725(13) Uani 1 1 d . . .
H21A H 1.0285 1.3823 0.6018 0.109 Uiso 1 1 calc R A .
H21B H 1.1349 1.3571 0.5875 0.109 Uiso 1 1 calc R . .
H21C H 1.0321 1.2814 0.6029 0.109 Uiso 1 1 calc R . .
C22 C 0.9802(4) 1.3638(3) 0.4260(3) 0.0630(11) Uani 1 1 d . . .
H22A H 0.9291 1.3348 0.3572 0.095 Uiso 1 1 calc R A .
H22B H 1.0687 1.3962 0.4418 0.095 Uiso 1 1 calc R . .
H22C H 0.9542 1.4108 0.4521 0.095 Uiso 1 1 calc R . .
C23 C 0.9970(4) 1.2096(3) 0.4250(3) 0.0586(11) Uani 1 1 d . . .
H23A H 0.9786 1.1565 0.4481 0.088 Uiso 1 1 calc R A .
H23B H 1.0865 1.2387 0.4429 0.088 Uiso 1 1 calc R . .
H23C H 0.9481 1.1848 0.3561 0.088 Uiso 1 1 calc R . .
C30 C 0.4188(4) 0.6252(3) -0.1327(3) 0.0456(8) Uani 1 1 d . . .
C31 C 0.5532(5) 0.6957(4) -0.0839(5) 0.105(2) Uani 1 1 d . . .
H31A H 0.5591 0.7602 -0.0813 0.157 Uiso 1 1 calc R . .
H31B H 0.5958 0.6767 -0.1187 0.157 Uiso 1 1 calc R . .
H31C H 0.5929 0.6965 -0.0196 0.157 Uiso 1 1 calc R . .
C32 C 0.3556(7) 0.6304(5) -0.2314(4) 0.098(2) Uani 1 1 d . . .
H32A H 0.2647 0.5925 -0.2601 0.147 Uiso 1 1 calc R . .
H32B H 0.3880 0.6042 -0.2716 0.147 Uiso 1 1 calc R . .
H32C H 0.3740 0.6977 -0.2250 0.147 Uiso 1 1 calc R . .
C33 C 0.4054(6) 0.5227(4) -0.1471(4) 0.0858(17) Uani 1 1 d . . .
H33A H 0.4333 0.5146 -0.0859 0.129 Uiso 1 1 calc R . .
H33B H 0.4568 0.5100 -0.1762 0.129 Uiso 1 1 calc R . .
H33C H 0.3174 0.4772 -0.1884 0.129 Uiso 1 1 calc R . .
C40 C 0.1698(3) 0.7150(3) 0.0478(3) 0.0443(8) Uani 1 1 d . . .
C41 C 0.1532(6) 0.6571(4) 0.1096(4) 0.092(2) Uani 1 1 d . . .
H41A H 0.1113 0.5880 0.0714 0.138 Uiso 1 1 calc R . .
H41B H 0.1023 0.6736 0.1373 0.138 Uiso 1 1 calc R . .
H41C H 0.2355 0.6722 0.1602 0.138 Uiso 1 1 calc R . .
C42 C 0.0409(5) 0.6931(5) -0.0282(4) 0.0862(17) Uani 1 1 d . . .
H42A H 0.0503 0.7217 -0.0746 0.129 Uiso 1 1 calc R . .
H42B H -0.0021 0.7205 0.0009 0.129 Uiso 1 1 calc R . .
H42C H -0.0083 0.6231 -0.0598 0.129 Uiso 1 1 calc R . .
C43 C 0.2348(4) 0.8213(3) 0.1067(4) 0.0692(14) Uani 1 1 d . . .
H43A H 0.3191 0.8370 0.1548 0.104 Uiso 1 1 calc R . .
H43B H 0.1866 0.8372 0.1377 0.104 Uiso 1 1 calc R . .
H43C H 0.2409 0.8586 0.0660 0.104 Uiso 1 1 calc R . .
C50 C 0.6581(4) 0.8350(3) 0.2958(3) 0.0456(8) Uani 1 1 d . . .
C51 C 0.5621(5) 0.7346(4) 0.2226(4) 0.0788(15) Uani 1 1 d . . .
H51A H 0.5057 0.7409 0.1667 0.118 Uiso 1 1 calc R . .
H51B H 0.5135 0.6999 0.2498 0.118 Uiso 1 1 calc R . .
H51C H 0.6059 0.6986 0.2046 0.118 Uiso 1 1 calc R . .
C52 C 0.5895(5) 0.8924(4) 0.3176(4) 0.0817(17) Uani 1 1 d . . .
H52A H 0.6503 0.9579 0.3618 0.123 Uiso 1 1 calc R . .
H52B H 0.5401 0.8612 0.3461 0.123 Uiso 1 1 calc R . .
H52C H 0.5335 0.8953 0.2592 0.123 Uiso 1 1 calc R . .
C53 C 0.7368(5) 0.8233(4) 0.3843(3) 0.0704(13) Uani 1 1 d . . .
H53A H 0.7796 0.7848 0.3693 0.106 Uiso 1 1 calc R . .
H53B H 0.6828 0.7905 0.4089 0.106 Uiso 1 1 calc R . .
H53C H 0.7991 0.8869 0.4319 0.106 Uiso 1 1 calc R . .
C60 C 0.9381(19) 0.9900(11) 0.1368(14) 0.045(3) Uani 0.628(8) 1 d PU B 1
C61 C 0.8574(8) 0.9947(8) 0.0468(6) 0.063(2) Uani 0.628(8) 1 d PU B 1
H61A H 0.7911 0.9301 0.0047 0.094 Uiso 0.628(8) 1 calc PR B 1
H61B H 0.9082 1.0190 0.0165 0.094 Uiso 0.628(8) 1 calc PR B 1
H61C H 0.8195 1.0382 0.0598 0.094 Uiso 0.628(8) 1 calc PR B 1
C62 C 1.0099(10) 0.9310(9) 0.1276(8) 0.072(3) Uani 0.628(8) 1 d PU B 1
H62A H 1.0433 0.9181 0.1857 0.108 Uiso 0.628(8) 1 calc PR B 1
H62B H 1.0793 0.9669 0.1170 0.108 Uiso 0.628(8) 1 calc PR B 1
H62C H 0.9539 0.8699 0.0741 0.108 Uiso 0.628(8) 1 calc PR B 1
C63 C 1.0323(7) 1.0926(5) 0.2106(6) 0.066(2) Uani 0.628(8) 1 d PU B 1
H63A H 0.9877 1.1333 0.2133 0.098 Uiso 0.628(8) 1 calc PR B 1
H63B H 1.0968 1.1207 0.1922 0.098 Uiso 0.628(8) 1 calc PR B 1
H63C H 1.0717 1.0886 0.2728 0.098 Uiso 0.628(8) 1 calc PR B 1
C10A C 0.471(2) 1.141(2) 0.382(2) 0.054(5) Uani 0.398(14) 1 d PU A 2
C11A C 0.3984(12) 1.101(2) 0.2843(10) 0.136(13) Uani 0.398(14) 1 d PU A 2
H11D H 0.4211 1.1491 0.2566 0.203 Uiso 0.398(14) 1 calc PR A 2
H11E H 0.3097 1.0788 0.2686 0.203 Uiso 0.398(14) 1 calc PR A 2
H11F H 0.4133 1.0458 0.2591 0.203 Uiso 0.398(14) 1 calc PR A 2
C12A C 0.445(2) 1.2011(17) 0.4417(16) 0.089(6) Uani 0.398(14) 1 d PU A 2
H12D H 0.4951 1.2097 0.5074 0.134 Uiso 0.398(14) 1 calc PR A 2
H12E H 0.3557 1.1708 0.4246 0.134 Uiso 0.398(14) 1 calc PR A 2
H12F H 0.4657 1.2640 0.4347 0.134 Uiso 0.398(14) 1 calc PR A 2
C13A C 0.4491(17) 1.0478(12) 0.4169(18) 0.118(9) Uani 0.398(14) 1 d PU A 2
H13D H 0.3879 0.9885 0.3623 0.177 Uiso 0.398(14) 1 calc PR A 2
H13E H 0.4177 1.0566 0.4631 0.177 Uiso 0.398(14) 1 calc PR A 2
H13F H 0.5288 1.0432 0.4458 0.177 Uiso 0.398(14) 1 calc PR A 2
C60A C 0.915(3) 0.9650(19) 0.127(3) 0.052(6) Uani 0.372(8) 1 d PU B 2
C61A C 1.0522(12) 0.9879(13) 0.1730(12) 0.062(4) Uani 0.372(8) 1 d PU B 2
H61D H 1.0963 1.0457 0.2305 0.092 Uiso 0.372(8) 1 calc PR B 2
H61E H 1.0867 0.9997 0.1295 0.092 Uiso 0.372(8) 1 calc PR B 2
H61F H 1.0629 0.9334 0.1894 0.092 Uiso 0.372(8) 1 calc PR B 2
C62A C 0.9097(13) 1.0601(10) 0.1028(11) 0.056(3) Uani 0.372(8) 1 d PU B 2
H62D H 0.8220 1.0491 0.0692 0.084 Uiso 0.372(8) 1 calc PR B 2
H62E H 0.9506 1.0724 0.0631 0.084 Uiso 0.372(8) 1 calc PR B 2
H62F H 0.9530 1.1160 0.1618 0.084 Uiso 0.372(8) 1 calc PR B 2
C63A C 0.8534(11) 0.8884(9) 0.0236(8) 0.060(3) Uani 0.372(8) 1 d PU B 2
H63D H 0.8530 0.8267 0.0274 0.089 Uiso 0.372(8) 1 calc PR B 2
H63E H 0.9017 0.9112 -0.0088 0.089 Uiso 0.372(8) 1 calc PR B 2
H63F H 0.7672 0.8797 -0.0116 0.089 Uiso 0.372(8) 1 calc PR B 2
C71 C 0.5368(7) 0.4878(7) 0.6404(7) 0.195(3) Uani 0.775(7) 1 d PG C 2
C72 C 0.6214(10) 0.4685(7) 0.7078(8) 0.195(3) Uani 0.775(7) 1 d PG C 2
H72 H 0.5927 0.4125 0.7221 0.234 Uiso 0.775(7) 1 calc PR C 2
C73 C 0.7481(9) 0.5312(8) 0.7543(7) 0.195(3) Uani 0.775(7) 1 d PG C 2
H73 H 0.8059 0.5180 0.8004 0.234 Uiso 0.775(7) 1 calc PR C 2
C74 C 0.7901(7) 0.6131(7) 0.7334(7) 0.195(3) Uani 0.775(7) 1 d PG C 2
H74 H 0.8767 0.6559 0.7652 0.234 Uiso 0.775(7) 1 calc PR C 2
C75 C 0.7055(10) 0.6324(7) 0.6660(8) 0.195(3) Uani 0.775(7) 1 d PG C 2
H75 H 0.7342 0.6884 0.6517 0.234 Uiso 0.775(7) 1 calc PR C 2
C76 C 0.5788(9) 0.5698(9) 0.6195(6) 0.195(3) Uani 0.775(7) 1 d PG C 2
H76 H 0.5210 0.5829 0.5735 0.234 Uiso 0.775(7) 1 calc PR C 2
C77 C 0.4038(12) 0.4267(12) 0.5837(11) 0.195(3) Uani 0.775(7) 1 d P . .
H77A H 0.3911 0.3636 0.5458 0.292 Uiso 0.775(7) 1 calc PR C 2
H77B H 0.3655 0.4568 0.5418 0.292 Uiso 0.775(7) 1 calc PR C 2
H77C H 0.3648 0.4182 0.6251 0.292 Uiso 0.775(7) 1 calc PR C 2
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'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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
Cu1 Ge1 Si1 169.27(3) . .
N1 Ge1 Cu1 141.19(10) . .
N1 Ge1 Si1 41.30(10) . .
N2 Ge1 Cu1 134.77(9) . .
N2 Ge1 Si1 41.36(9) . .
N2 Ge1 N1 82.60(13) . .
Cu2 Ge2 Cl1 94.60(2) . 2_675
Cu2 Ge2 Si2 166.13(3) . .
Cl1 Ge2 Si2 99.25(3) 2_675 .
N3 Ge2 Cu2 134.75(9) . .
N3 Ge2 Cl1 101.48(9) . 2_675
N3 Ge2 Si2 41.09(9) . .
N3 Ge2 N4 81.96(12) . .
N4 Ge2 Cu2 137.56(9) . .
N4 Ge2 Cl1 97.52(9) . 2_675
N4 Ge2 Si2 41.09(9) . .
Cu1 Ge3 Si3 147.88(3) . .
Cu2 Ge3 Cu1 62.910(15) . .
Cu2 Ge3 Si3 149.17(3) . .
N5 Ge3 Cu1 129.37(9) . .
N5 Ge3 Cu2 129.02(9) . .
N5 Ge3 Si3 41.07(9) . .
N6 Ge3 Cu1 128.88(9) . .
N6 Ge3 Cu2 132.54(9) . .
N6 Ge3 Si3 41.26(9) . .
N6 Ge3 N5 82.31(12) . .
Ge1 Cu1 Ge3 108.127(18) . .
Ge1 Cu1 Cu2 137.87(2) . .
Ge1 Cu1 Cl2 110.29(2) . .
Ge3 Cu1 Cu2 57.236(15) . .
Cl1 Cu1 Ge1 105.42(3) . .
Cl1 Cu1 Ge3 112.02(3) . .
Cl1 Cu1 Cu2 116.70(3) . .
Cl1 Cu1 Cl2 107.21(3) . .
Cl2 Cu1 Ge3 113.47(2) . .
Cl2 Cu1 Cu2 57.62(2) . .
Ge2 Cu2 Ge3 114.438(19) . .
Ge2 Cu2 Cu1 152.53(2) . .
Ge2 Cu2 Cl2 114.21(3) . .
Ge2 Cu2 Cl2 104.33(2) . 2_675
Ge3 Cu2 Cu1 59.854(15) . .
Ge3 Cu2 Cl2 110.04(2) . 2_675
Cl2 Cu2 Ge3 115.97(2) . .
Cl2 Cu2 Cu1 102.62(2) 2_675 .
Cl2 Cu2 Cu1 57.56(2) . .
Cl2 Cu2 Cl2 95.31(3) . 2_675
Cu1 Cl1 Ge2 107.26(3) . 2_675
Cu1 Cl2 Cu2 98.15(3) . 2_675
Cu1 Cl2 Cu2 64.81(2) . .
Cu2 Cl2 Cu2 84.69(3) . 2_675
N1 Si1 Ge1 44.23(9) . .
N1 Si1 N2 88.30(13) . .
N1 Si1 C1 113.8(2) . .
N1 Si1 C2 114.9(2) . .
N2 Si1 Ge1 44.14(9) . .
N2 Si1 C1 113.6(2) . .
N2 Si1 C2 114.7(2) . .
C1 Si1 Ge1 122.1(2) . .
C1 Si1 C2 110.2(3) . .
C2 Si1 Ge1 127.7(2) . .
N3 Si2 Ge2 44.60(9) . .
N3 Si2 C3 113.73(17) . .
N3 Si2 C4 115.00(19) . .
N4 Si2 Ge2 44.80(9) . .
N4 Si2 N3 89.14(13) . .
N4 Si2 C3 115.60(19) . .
N4 Si2 C4 114.01(17) . .
C3 Si2 Ge2 122.02(15) . .
C3 Si2 C4 108.5(2) . .
C4 Si2 Ge2 129.44(15) . .
N5 Si3 Ge3 44.37(9) . .
N5 Si3 N6 88.39(13) . .
N5 Si3 C5 114.37(17) . .
N5 Si3 C6 115.20(19) . .
N6 Si3 Ge3 44.04(9) . .
N6 Si3 C5 114.41(18) . .
N6 Si3 C6 114.36(18) . .
C5 Si3 Ge3 126.22(13) . .
C6 Si3 Ge3 124.72(14) . .
C6 Si3 C5 109.05(19) . .
Si1 N1 Ge1 94.47(14) . .
C10 N1 Ge1 128.4(9) . .
C10 N1 Si1 137.0(9) . .
C10 N1 C10A 5(2) . .
C10A N1 Ge1 132.4(13) . .
C10A N1 Si1 132.7(12) . .
Si1 N2 Ge1 94.50(14) . .
C20 N2 Ge1 129.2(2) . .
C20 N2 Si1 135.1(2) . .
Si2 N3 Ge2 94.30(13) . .
C30 N3 Ge2 129.5(2) . .
C30 N3 Si2 135.3(2) . .
Si2 N4 Ge2 94.11(13) . .
C40 N4 Ge2 130.3(2) . .
C40 N4 Si2 134.5(2) . .
Si3 N5 Ge3 94.56(13) . .
C50 N5 Ge3 131.5(2) . .
C50 N5 Si3 132.7(2) . .
Si3 N6 Ge3 94.70(13) . .
C60 N6 Ge3 132.0(7) . .
C60 N6 Si3 132.9(8) . .
C60A N6 Ge3 133.5(17) . .
C60A N6 Si3 130.9(17) . .
C60A N6 C60 12.7(17) . .
N1 C10 C11 110.4(16) . .
N1 C10 C12 115.2(16) . .
N1 C10 C13 105.7(15) . .
C11 C10 C12 112.3(17) . .
C11 C10 C13 107.4(16) . .
C12 C10 C13 105.2(15) . .
N2 C20 C21 109.0(3) . .
N2 C20 C22 110.0(3) . .
N2 C20 C23 109.6(3) . .
C21 C20 C22 108.8(4) . .
C23 C20 C21 109.6(4) . .
C23 C20 C22 109.8(3) . .
N3 C30 C31 110.3(3) . .
N3 C30 C32 109.5(3) . .
N3 C30 C33 109.4(3) . .
C31 C30 C32 108.6(5) . .
C31 C30 C33 111.2(4) . .
C33 C30 C32 107.7(4) . .
N4 C40 C41 110.0(3) . .
N4 C40 C42 110.2(3) . .
N4 C40 C43 109.9(3) . .
C41 C40 C42 108.7(4) . .
C43 C40 C41 109.5(4) . .
C43 C40 C42 108.4(4) . .
N5 C50 C51 109.2(3) . .
N5 C50 C52 110.1(3) . .
N5 C50 C53 110.3(3) . .
C52 C50 C51 109.0(4) . .
C53 C50 C51 108.3(4) . .
C53 C50 C52 109.9(4) . .
N6 C60 C63 107.2(13) . .
C61 C60 N6 108.0(13) . .
C61 C60 C62 114.9(14) . .
C61 C60 C63 111.0(11) . .
C62 C60 N6 106.8(11) . .
C62 C60 C63 108.7(14) . .
C11A C10A N1 110(2) . .
C11A C10A C12A 123(3) . .
C11A C10A C13A 104(2) . .
C12A C10A N1 114.6(19) . .
C12A C10A C13A 101(2) . .
C13A C10A N1 100(2) . .
N6 C60A C61A 116(3) . .
N6 C60A C62A 111(3) . .
N6 C60A C63A 115(2) . .
C61A C60A C62A 105(2) . .
C61A C60A C63A 108(3) . .
C63A C60A C62A 101(2) . .
C72 C71 C76 120.0 . .
C72 C71 C77 125.7(10) . .
C76 C71 C77 114.2(10) . .
C73 C72 C71 120.0 . .
C74 C73 C72 120.0 . .
C73 C74 C75 120.0 . .
C76 C75 C74 120.0 . .
C75 C76 C71 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 Cu1 2.3238(5) .
Ge1 Si1 2.6206(10) .
Ge1 N1 1.834(3) .
Ge1 N2 1.831(3) .
Ge2 Cu2 2.3170(5) .
Ge2 Cl1 2.5773(9) 2_675
Ge2 Si2 2.6268(10) .
Ge2 N3 1.850(3) .
Ge2 N4 1.856(3) .
Ge3 Cu1 2.4459(5) .
Ge3 Cu2 2.3784(5) .
Ge3 Si3 2.6284(10) .
Ge3 N5 1.844(3) .
Ge3 N6 1.833(3) .
Cu1 Cu2 2.5181(6) .
Cu1 Cl1 2.2993(9) .
Cu1 Cl2 2.3485(8) .
Cu2 Cl2 2.4510(8) 2_675
Cu2 Cl2 2.3501(8) .
Cl1 Ge2 2.5773(9) 2_675
Cl2 Cu2 2.4510(8) 2_675
Si1 N1 1.735(3) .
Si1 N2 1.737(3) .
Si1 C1 1.849(5) .
Si1 C2 1.856(5) .
Si2 N3 1.731(3) .
Si2 N4 1.731(3) .
Si2 C3 1.870(4) .
Si2 C4 1.876(4) .
Si3 N5 1.732(3) .
Si3 N6 1.739(3) .
Si3 C5 1.859(4) .
Si3 C6 1.857(4) .
N1 C10 1.42(2) .
N1 C10A 1.55(3) .
N2 C20 1.466(5) .
N3 C30 1.462(4) .
N4 C40 1.456(4) .
N5 C50 1.469(4) .
N6 C60 1.52(2) .
N6 C60A 1.35(5) .
C10 C11 1.49(2) .
C10 C12 1.48(2) .
C10 C13 1.65(3) .
C20 C21 1.525(5) .
C20 C22 1.529(6) .
C20 C23 1.512(5) .
C30 C31 1.490(6) .
C30 C32 1.548(7) .
C30 C33 1.520(6) .
C40 C41 1.516(6) .
C40 C42 1.523(7) .
C40 C43 1.509(5) .
C50 C51 1.531(6) .
C50 C52 1.509(6) .
C50 C53 1.512(5) .
C60 C61 1.49(2) .
C60 C62 1.51(2) .
C60 C63 1.551(17) .
C10A C11A 1.39(4) .
C10A C12A 1.41(4) .
C10A C13A 1.66(4) .
C60A C61A 1.50(4) .
C60A C62A 1.63(4) .
C60A C63A 1.58(4) .
C71 C72 1.3900 .
C71 C76 1.3900 .
C71 C77 1.448(14) .
C72 C73 1.3900 .
C73 C74 1.3900 .
C74 C75 1.3900 .
C75 C76 1.3900 .
