#------------------------------------------------------------------------------
#$Date: 2020-05-05 16:29:26 +0300 (Tue, 05 May 2020) $
#$Revision: 251662 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/37/7703707.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_7703707
loop_
_publ_author_name
'Böserle, Jiří'
'Jambor, Roman'
'R°uŽička, Aleš'
'Erben, Milan'
'Dostál, Libor'
_publ_section_title
;
 Reactivity of boraguanidinato germylenes toward carbonyl compounds and
 isocyanides: C-O, C-F and C-N bond activation.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4869
_journal_page_last               4877
_journal_paper_doi               10.1039/c9dt04839a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C55 H79 B2 Ge2 N7'
_chemical_formula_sum            'C55 H79 B2 Ge2 N7'
_chemical_formula_weight         1005.05
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-12-10 deposited with the CCDC.	2020-03-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.285(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.1030(17)
_cell_length_b                   22.561(2)
_cell_length_c                   18.1100(18)
_cell_measurement_reflns_used    61097
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     5331.8(10)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(1)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_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  0.0955
_diffrn_reflns_av_unetI/netI     0.0813
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            61097
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         1.803
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.170
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.764
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_description       block
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.349
_exptl_crystal_size_mid          0.188
_exptl_crystal_size_min          0.150
_refine_diff_density_max         3.109
_refine_diff_density_min         -2.445
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         12060
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.1291
_refine_ls_R_factor_gt           0.0678
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0161P)²+30.7608P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1214
_refine_ls_wR_factor_ref         0.1517
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7887
_reflns_number_total             12060
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt04839a2.cif
_cod_data_source_block           ld150921Ge1
_cod_depositor_comments
'Adding full bibliography for 7703706--7703711.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7703707
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge -0.27992(4) 0.06716(2) 0.29017(3) 0.01415(11) Uani 1 1 d . U . . .
Ge2 Ge -0.13257(4) 0.00873(3) 0.37962(3) 0.02757(15) Uani 1 1 d . U . . .
N4 N -0.2478(3) 0.06024(16) 0.1993(2) 0.0151(8) Uani 1 1 d . . . . .
N2 N -0.3360(3) 0.14007(16) 0.3012(2) 0.0161(8) Uani 1 1 d . . . . .
N1 N -0.4149(3) 0.04954(17) 0.2810(2) 0.0167(8) Uani 1 1 d . . . . .
N3 N -0.5131(3) 0.13915(17) 0.3114(2) 0.0188(8) Uani 1 1 d . . . . .
N6 N -0.1339(3) 0.00689(17) 0.1404(2) 0.0174(8) Uani 1 1 d . . . . .
N5 N -0.1128(3) -0.00928(17) 0.2837(2) 0.0173(8) Uani 1 1 d . . . . .
C28 C -0.1976(4) 0.1507(2) 0.1489(3) 0.0212(10) Uani 1 1 d . . . . .
C1 C -0.4434(3) -0.0025(2) 0.3121(3) 0.0170(9) Uani 1 1 d . . . . .
C24 C -0.3643(3) 0.1082(2) 0.0750(3) 0.0204(10) Uani 1 1 d . . . . .
C23 C -0.2708(3) 0.1067(2) 0.1407(2) 0.0164(9) Uani 1 1 d . . . . .
C2 C -0.4233(3) -0.0077(2) 0.3942(3) 0.0223(10) Uani 1 1 d . . . . .
C25 C -0.3797(4) 0.1505(2) 0.0158(3) 0.0252(11) Uani 1 1 d . . . . .
H25 H -0.4411 0.1508 -0.0284 0.030 Uiso 1 1 d R U . . .
C20 C -0.4958(4) 0.1951(2) 0.3564(3) 0.0219(10) Uani 1 1 d . . . . .
H20 H -0.4219 0.2028 0.3760 0.026 Uiso 1 1 d R U . . .
C27 C -0.2160(4) 0.1923(2) 0.0884(3) 0.0278(11) Uani 1 1 d . . . . .
H27 H -0.1669 0.2211 0.0928 0.033 Uiso 1 1 d R U . . .
C17 C -0.6204(4) 0.1187(2) 0.2766(3) 0.0258(11) Uani 1 1 d . . . . .
H17 H -0.6622 0.1533 0.2770 0.031 Uiso 1 1 d R U . . .
C31 C -0.0662(4) -0.0663(2) 0.2876(3) 0.0213(10) Uani 1 1 d . . . . .
C6 C -0.4907(4) -0.0497(2) 0.2608(3) 0.0231(10) Uani 1 1 d . . . . .
C9 C -0.2961(3) 0.1986(2) 0.3119(3) 0.0227(11) Uani 1 1 d . . . . .
C8 C -0.5072(4) -0.0476(2) 0.1738(3) 0.0299(12) Uani 1 1 d . . . . .
H8A H -0.5397 -0.0836 0.1483 0.036 Uiso 1 1 d R U . . .
H8B H -0.4425 -0.0434 0.1682 0.036 Uiso 1 1 d R U . . .
H8C H -0.5503 -0.0145 0.1493 0.036 Uiso 1 1 d R U . . .
C30 C -0.1015(4) 0.1554(2) 0.2232(3) 0.0266(11) Uani 1 1 d . . . . .
H30A H -0.0531 0.1807 0.2130 0.032 Uiso 1 1 d R U . . .
H30B H -0.0724 0.1166 0.2378 0.032 Uiso 1 1 d R U . . .
H30C H -0.1179 0.1716 0.2659 0.032 Uiso 1 1 d R U . . .
C45 C -0.0380(4) 0.0816(3) 0.4095(3) 0.0360(13) Uani 1 1 d . . . . .
C14 C -0.2241(4) 0.2146(2) 0.3880(3) 0.0283(12) Uani 1 1 d . . . . .
C3 C -0.4585(4) -0.0577(2) 0.4212(3) 0.0287(12) Uani 1 1 d . . . . .
H3 H -0.4472 -0.0606 0.4751 0.034 Uiso 1 1 d R U . . .
C22 C -0.5475(4) 0.2487(2) 0.3069(3) 0.0359(13) Uani 1 1 d . . . . .
H22A H -0.5302 0.2509 0.2606 0.043 Uiso 1 1 d R U . . .
H22B H -0.5250 0.2841 0.3381 0.043 Uiso 1 1 d R U . . .
H22C H -0.6204 0.2448 0.2906 0.043 Uiso 1 1 d R U . . .
C26 C -0.3058(4) 0.1916(2) 0.0214(3) 0.0288(12) Uani 1 1 d . . . . .
H26 H -0.3164 0.2190 -0.0193 0.035 Uiso 1 1 d R U . . .
C39 C -0.2115(4) -0.0004(2) 0.0592(3) 0.0232(11) Uani 1 1 d . . . . .
H39 H -0.2766 0.0110 0.0629 0.028 Uiso 1 1 d R U . . .
C5 C -0.5230(4) -0.0987(2) 0.2909(3) 0.0321(12) Uani 1 1 d . . . . .
H5 H -0.5551 -0.1297 0.2566 0.039 Uiso 1 1 d R U . . .
B1 B -0.4296(4) 0.1120(2) 0.2985(3) 0.0175(11) Uani 1 1 d . . . . .
N7 N 0.0243(4) 0.1175(2) 0.4360(3) 0.0395(12) Uani 1 1 d . . . . .
C42 C -0.0235(4) 0.0023(2) 0.1559(3) 0.0263(11) Uani 1 1 d . . . . .
H42 H 0.0115 0.0030 0.2141 0.032 Uiso 1 1 d R U . . .
C21 C -0.5230(4) 0.1906(3) 0.4300(3) 0.0329(13) Uani 1 1 d . . . . .
H21A H -0.5956 0.1850 0.4135 0.039 Uiso 1 1 d R U . . .
H21B H -0.5032 0.2263 0.4610 0.039 Uiso 1 1 d R U . . .
H21C H -0.4877 0.1574 0.4618 0.039 Uiso 1 1 d R U . . .
C19 C -0.6504(4) 0.1015(3) 0.1897(3) 0.0353(13) Uani 1 1 d . . . . .
H19A H -0.6339 0.1332 0.1614 0.042 Uiso 1 1 d R U . . .
H19B H -0.7228 0.0939 0.1666 0.042 Uiso 1 1 d R U . . .
H19C H -0.6139 0.0664 0.1860 0.042 Uiso 1 1 d R U . . .
C29 C -0.4487(3) 0.0660(2) 0.0691(3) 0.0266(11) Uani 1 1 d . . . . .
H29A H -0.5087 0.0754 0.0230 0.032 Uiso 1 1 d R U . . .
H29B H -0.4641 0.0694 0.1162 0.032 Uiso 1 1 d R U . . .
H29C H -0.4275 0.0262 0.0645 0.032 Uiso 1 1 d R U . . .
C38 C 0.1074(4) -0.0230(3) 0.3703(3) 0.0420(16) Uani 1 1 d . . . . .
H38A H 0.1066 -0.0194 0.4229 0.050 Uiso 1 1 d R U . . .
H38B H 0.0823 0.0129 0.3411 0.050 Uiso 1 1 d R U . . .
H38C H 0.1762 -0.0302 0.3743 0.050 Uiso 1 1 d R U . . .
C36 C 0.0402(4) -0.0733(3) 0.3276(3) 0.0323(13) Uani 1 1 d . . . . .
B2 B -0.1643(4) 0.0193(2) 0.2064(3) 0.0160(10) Uani 1 1 d . . . . .
C10 C -0.3263(4) 0.2392(2) 0.2486(3) 0.0294(12) Uani 1 1 d . . . . .
C16 C -0.2012(4) 0.1745(3) 0.4581(3) 0.0362(14) Uani 1 1 d . . . . .
H16A H -0.1528 0.1935 0.5046 0.043 Uiso 1 1 d R U . . .
H16B H -0.1727 0.1380 0.4486 0.043 Uiso 1 1 d R U . . .
H16C H -0.2632 0.1664 0.4665 0.043 Uiso 1 1 d R U . . .
C15 C -0.4103(5) 0.2260(2) 0.1704(3) 0.0378(14) Uani 1 1 d . . . . .
H15A H -0.4639 0.2547 0.1608 0.045 Uiso 1 1 d R U . . .
H15B H -0.4371 0.1871 0.1717 0.045 Uiso 1 1 d R U . . .
H15C H -0.3843 0.2281 0.1286 0.045 Uiso 1 1 d R U . . .
C32 C -0.1284(5) -0.1154(2) 0.2527(3) 0.0299(12) Uani 1 1 d . . . . .
C11 C -0.2764(5) 0.2938(2) 0.2618(4) 0.0439(16) Uani 1 1 d . . . . .
H11 H -0.2931 0.3209 0.2201 0.053 Uiso 1 1 d R U . . .
C40 C -0.2006(4) 0.0395(3) -0.0053(3) 0.0357(13) Uani 1 1 d . . . . .
H40A H -0.1894 0.0796 0.0136 0.043 Uiso 1 1 d R U . . .
H40B H -0.2621 0.0375 -0.0524 0.043 Uiso 1 1 d R U . . .
H40C H -0.1435 0.0264 -0.0176 0.043 Uiso 1 1 d R U . . .
C4 C -0.5092(4) -0.1028(2) 0.3701(3) 0.0347(13) Uani 1 1 d . . . . .
H4 H -0.5335 -0.1354 0.3891 0.042 Uiso 1 1 d R U . . .
C54 C 0.0694(4) 0.2196(3) 0.4158(3) 0.0407(15) Uani 1 1 d . . . . .
H54A H 0.0709 0.2097 0.3641 0.049 Uiso 1 1 d R U . . .
H54B H 0.0005 0.2322 0.4080 0.049 Uiso 1 1 d R U . . .
C7 C -0.3661(4) 0.0388(2) 0.4539(3) 0.0261(11) Uani 1 1 d . . . . .
H7A H -0.3590 0.0264 0.5065 0.031 Uiso 1 1 d R U . . .
H7B H -0.4031 0.0755 0.4411 0.031 Uiso 1 1 d R U . . .
H7C H -0.2994 0.0442 0.4523 0.031 Uiso 1 1 d R U . . .
C47 C 0.2058(4) 0.1449(3) 0.4789(3) 0.0376(14) Uani 1 1 d . . . . .
H47A H 0.2249 0.1092 0.5111 0.045 Uiso 1 1 d R U . . .
H47B H 0.2063 0.1361 0.4266 0.045 Uiso 1 1 d R U . . .
C37 C -0.2426(5) -0.1099(3) 0.2190(3) 0.0409(15) Uani 1 1 d . . . . .
H37A H -0.2659 -0.0987 0.2604 0.049 Uiso 1 1 d R U . . .
H37B H -0.2722 -0.1473 0.1969 0.049 Uiso 1 1 d R U . . .
H37C H -0.2629 -0.0802 0.1779 0.049 Uiso 1 1 d R U . . .
C43 C 0.0198(4) 0.0554(3) 0.1259(3) 0.0371(14) Uani 1 1 d . . . . .
H43A H 0.0031 0.0512 0.0697 0.045 Uiso 1 1 d R U . . .
H43B H 0.0929 0.0569 0.1532 0.045 Uiso 1 1 d R U . . .
H43C H -0.0099 0.0913 0.1359 0.045 Uiso 1 1 d R U . . .
C13 C -0.1800(4) 0.2705(3) 0.3982(4) 0.0425(16) Uani 1 1 d . . . . .
H13 H -0.1343 0.2820 0.4485 0.051 Uiso 1 1 d R U . . .
C46 C 0.0989(4) 0.1648(3) 0.4713(3) 0.0378(14) Uani 1 1 d . . . . .
C52 C 0.1738(5) 0.2292(3) 0.5896(4) 0.0553(19) Uani 1 1 d . . . . .
H52 H 0.1727 0.2383 0.6422 0.066 Uiso 1 1 d R U . . .
C53 C 0.0955(4) 0.1797(3) 0.5504(3) 0.0349(13) Uani 1 1 d . . . . .
H53A H 0.1127 0.1448 0.5842 0.042 Uiso 1 1 d R U . . .
H53B H 0.0271 0.1924 0.5441 0.042 Uiso 1 1 d R U . . .
C18 C -0.6496(4) 0.0709(3) 0.3228(3) 0.0379(14) Uani 1 1 d . . . . .
H18A H -0.6177 0.0343 0.3183 0.045 Uiso 1 1 d R U . . .
H18B H -0.7227 0.0660 0.3018 0.045 Uiso 1 1 d R U . . .
H18C H -0.6265 0.0823 0.3779 0.045 Uiso 1 1 d R U . . .
C48 C 0.2811(5) 0.1934(3) 0.5174(4) 0.0506(17) Uani 1 1 d . . . . .
H48 H 0.3500 0.1807 0.5229 0.061 Uiso 1 1 d R U . . .
C33 C -0.0812(6) -0.1692(3) 0.2529(4) 0.0489(18) Uani 1 1 d . . . . .
H33 H -0.1213 -0.2018 0.2285 0.059 Uiso 1 1 d R U . . .
C49 C 0.2502(5) 0.2475(3) 0.4645(4) 0.0515(18) Uani 1 1 d . . . . .
H49A H 0.2526 0.2383 0.4129 0.062 Uiso 1 1 d R U . . .
H49B H 0.2983 0.2794 0.4882 0.062 Uiso 1 1 d R U . . .
C44 C 0.0108(4) -0.0552(3) 0.1288(3) 0.0378(14) Uani 1 1 d . . . . .
H44A H -0.0142 -0.0882 0.1495 0.045 Uiso 1 1 d R U . . .
H44B H 0.0843 -0.0567 0.1483 0.045 Uiso 1 1 d R U . . .
H44C H -0.0166 -0.0569 0.0715 0.045 Uiso 1 1 d R U . . .
C41 C -0.2265(5) -0.0644(3) 0.0295(3) 0.0390(14) Uani 1 1 d . . . . .
H41A H -0.1739 -0.0747 0.0103 0.047 Uiso 1 1 d R U . . .
H41B H -0.2924 -0.0684 -0.0130 0.047 Uiso 1 1 d R U . . .
H41C H -0.2226 -0.0904 0.0726 0.047 Uiso 1 1 d R U . . .
C12 C -0.2036(5) 0.3087(3) 0.3350(5) 0.055(2) Uani 1 1 d . . . . .
H12 H -0.1700 0.3449 0.3416 0.066 Uiso 1 1 d R U . . .
C34 C 0.0237(7) -0.1756(3) 0.2875(4) 0.057(2) Uani 1 1 d . . . . .
H34 H 0.0538 -0.2117 0.2848 0.068 Uiso 1 1 d R U . . .
C50 C 0.1427(5) 0.2676(3) 0.4532(4) 0.0433(15) Uani 1 1 d . . . . .
H50 H 0.1242 0.3028 0.4190 0.052 Uiso 1 1 d R U . . .
C55 C 0.2800(5) 0.2077(4) 0.6007(3) 0.058(2) Uani 1 1 d . . . . .
H55A H 0.3310 0.2377 0.6269 0.070 Uiso 1 1 d R U . . .
H55B H 0.2964 0.1722 0.6334 0.070 Uiso 1 1 d R U . . .
C35 C 0.0830(6) -0.1287(3) 0.3261(4) 0.0513(19) Uani 1 1 d . . . . .
H35 H 0.1534 -0.1338 0.3519 0.062 Uiso 1 1 d R U . . .
C51 C 0.1441(6) 0.2829(3) 0.5382(4) 0.0575(19) Uani 1 1 d . . . . .
H51A H 0.1927 0.3145 0.5618 0.069 Uiso 1 1 d R U . . .
H51B H 0.0767 0.2962 0.5337 0.069 Uiso 1 1 d R U . . .
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'
B B 0.0013 0.0007 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.133
0 0 -1 0.124
-1 0 1 0.075
1 0 -1 0.069
0 1 0 0.058
0 -1 0 0.094
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
_geom_angle_publ_flag
N2 Ge1 N4 114.91(16) . . ?
N2 Ge1 N1 75.00(16) . . ?
N4 Ge1 N1 118.49(15) . . ?
N2 Ge1 B1 37.16(17) . . ?
N4 Ge1 B1 127.11(16) . . ?
N1 Ge1 B1 37.99(17) . . ?
N2 Ge1 Ge2 133.10(11) . . ?
N4 Ge1 Ge2 96.19(11) . . ?
N1 Ge1 Ge2 120.88(12) . . ?
B1 Ge1 Ge2 136.42(12) . . ?
N5 Ge2 C45 96.09(19) . . ?
N5 Ge2 Ge1 83.90(11) . . ?
C45 Ge2 Ge1 92.64(16) . . ?
C23 N4 B2 118.3(4) . . ?
C23 N4 Ge1 121.7(3) . . ?
B2 N4 Ge1 115.5(3) . . ?
C9 N2 B1 136.2(4) . . ?
C9 N2 Ge1 132.1(3) . . ?
B1 N2 Ge1 91.6(3) . . ?
C1 N1 B1 128.2(4) . . ?
C1 N1 Ge1 124.3(3) . . ?
B1 N1 Ge1 90.0(3) . . ?
B1 N3 C20 119.1(4) . . ?
B1 N3 C17 125.0(4) . . ?
C20 N3 C17 115.6(4) . . ?
B2 N6 C39 120.5(4) . . ?
B2 N6 C42 118.6(4) . . ?
C39 N6 C42 120.8(4) . . ?
C31 N5 B2 119.8(4) . . ?
C31 N5 Ge2 111.6(3) . . ?
B2 N5 Ge2 126.0(3) . . ?
C27 C28 C23 119.0(4) . . ?
C27 C28 C30 119.4(4) . . ?
C23 C28 C30 121.5(4) . . ?
C6 C1 C2 119.3(4) . . ?
C6 C1 N1 119.9(4) . . ?
C2 C1 N1 120.8(4) . . ?
C25 C24 C23 119.5(4) . . ?
C25 C24 C29 119.6(4) . . ?
C23 C24 C29 120.8(4) . . ?
C28 C23 C24 119.5(4) . . ?
C28 C23 N4 119.2(4) . . ?
C24 C23 N4 121.3(4) . . ?
C3 C2 C1 118.8(4) . . ?
C3 C2 C7 118.6(4) . . ?
C1 C2 C7 122.6(4) . . ?
C26 C25 C24 121.1(4) . . ?
C26 C25 H25 119.4 . . ?
C24 C25 H25 119.5 . . ?
N3 C20 C22 114.5(4) . . ?
N3 C20 C21 112.5(4) . . ?
C22 C20 C21 110.3(4) . . ?
N3 C20 H20 106.5 . . ?
C22 C20 H20 106.2 . . ?
C21 C20 H20 106.2 . . ?
C26 C27 C28 121.3(5) . . ?
C26 C27 H27 119.2 . . ?
C28 C27 H27 119.5 . . ?
N3 C17 C18 115.9(4) . . ?
N3 C17 C19 111.1(4) . . ?
C18 C17 C19 111.2(5) . . ?
N3 C17 H17 105.8 . . ?
C18 C17 H17 105.9 . . ?
C19 C17 H17 106.2 . . ?
C36 C31 C32 120.3(5) . . ?
C36 C31 N5 120.4(5) . . ?
C32 C31 N5 119.3(4) . . ?
C5 C6 C1 119.3(4) . . ?
C5 C6 C8 119.6(5) . . ?
C1 C6 C8 121.1(4) . . ?
C10 C9 C14 120.8(5) . . ?
C10 C9 N2 121.0(4) . . ?
C14 C9 N2 118.2(5) . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.8 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.1 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C28 C30 H30A 109.6 . . ?
C28 C30 H30B 109.2 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.6 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N7 C45 Ge2 169.7(5) . . ?
C13 C14 C9 118.9(5) . . ?
C13 C14 C16 119.8(5) . . ?
C9 C14 C16 121.2(5) . . ?
C4 C3 C2 121.7(5) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 118.9 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.8 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.1 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C26 C27 119.4(5) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.5 . . ?
N6 C39 C41 114.1(4) . . ?
N6 C39 C40 116.5(4) . . ?
C41 C39 C40 109.2(4) . . ?
N6 C39 H39 105.2 . . ?
C41 C39 H39 105.4 . . ?
C40 C39 H39 105.4 . . ?
C4 C5 C6 121.8(5) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
N3 B1 N2 127.3(4) . . ?
N3 B1 N1 129.7(4) . . ?
N2 B1 N1 103.0(4) . . ?
N3 B1 Ge1 174.6(3) . . ?
N2 B1 Ge1 51.2(2) . . ?
N1 B1 Ge1 52.1(2) . . ?
C45 N7 C46 176.5(6) . . ?
N6 C42 C44 116.0(4) . . ?
N6 C42 C43 114.2(4) . . ?
C44 C42 C43 109.3(4) . . ?
N6 C42 H42 105.5 . . ?
C44 C42 H42 105.6 . . ?
C43 C42 H42 105.1 . . ?
C20 C21 H21A 109.2 . . ?
C20 C21 H21B 109.9 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.3 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.2 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.7 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C24 C29 H29A 109.6 . . ?
C24 C29 H29B 109.1 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.7 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C36 C38 H38A 109.6 . . ?
C36 C38 H38B 109.1 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.6 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C35 C36 C31 118.5(6) . . ?
C35 C36 C38 119.8(5) . . ?
C31 C36 C38 121.7(5) . . ?
N6 B2 N5 120.8(4) . . ?
N6 B2 N4 122.1(4) . . ?
N5 B2 N4 117.0(4) . . ?
C11 C10 C9 117.4(5) . . ?
C11 C10 C15 120.5(5) . . ?
C9 C10 C15 122.0(5) . . ?
C14 C16 H16A 109.1 . . ?
C14 C16 H16B 109.8 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C10 C15 H15A 109.0 . . ?
C10 C15 H15B 109.8 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.6 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C33 C32 C31 118.2(6) . . ?
C33 C32 C37 121.1(6) . . ?
C31 C32 C37 120.6(5) . . ?
C12 C11 C10 121.7(6) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.0 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.4 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C5 C4 C3 118.8(5) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.3 . . ?
C50 C54 C46 108.7(5) . . ?
C50 C54 H54A 110.2 . . ?
C46 C54 H54A 110.0 . . ?
C50 C54 H54B 109.9 . . ?
C46 C54 H54B 109.7 . . ?
H54A C54 H54B 108.4 . . ?
C2 C7 H7A 109.6 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.3 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C48 C47 C46 109.2(5) . . ?
C48 C47 H47A 109.8 . . ?
C46 C47 H47A 109.7 . . ?
C48 C47 H47B 109.7 . . ?
C46 C47 H47B 110.1 . . ?
H47A C47 H47B 108.3 . . ?
C32 C37 H37A 109.8 . . ?
C32 C37 H37B 109.1 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C42 C43 H43A 109.2 . . ?
C42 C43 H43B 109.9 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.4 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C12 C13 C14 120.4(6) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 119.6 . . ?
N7 C46 C53 107.7(5) . . ?
N7 C46 C47 110.3(5) . . ?
C53 C46 C47 111.7(5) . . ?
N7 C46 C54 109.0(5) . . ?
C53 C46 C54 110.2(5) . . ?
C47 C46 C54 107.9(5) . . ?
C51 C52 C55 112.0(6) . . ?
C51 C52 C53 108.6(6) . . ?
C55 C52 C53 109.2(6) . . ?
C51 C52 H52 109.5 . . ?
C55 C52 H52 108.6 . . ?
C53 C52 H52 109.0 . . ?
C46 C53 C52 109.1(5) . . ?
C46 C53 H53A 109.3 . . ?
C52 C53 H53A 109.5 . . ?
C46 C53 H53B 110.3 . . ?
C52 C53 H53B 110.3 . . ?
H53A C53 H53B 108.3 . . ?
C17 C18 H18A 109.4 . . ?
C17 C18 H18B 110.0 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.0 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C47 C48 C49 108.1(5) . . ?
C47 C48 C55 109.7(5) . . ?
C49 C48 C55 110.0(6) . . ?
C47 C48 H48 109.5 . . ?
C49 C48 H48 109.7 . . ?
C55 C48 H48 109.8 . . ?
C34 C33 C32 121.6(6) . . ?
C34 C33 H33 119.2 . . ?
C32 C33 H33 119.1 . . ?
C48 C49 C50 111.1(5) . . ?
C48 C49 H49A 109.3 . . ?
C50 C49 H49A 109.4 . . ?
C48 C49 H49B 109.4 . . ?
C50 C49 H49B 109.5 . . ?
H49A C49 H49B 108.1 . . ?
C42 C44 H44A 108.9 . . ?
C42 C44 H44B 109.9 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.6 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C39 C41 H41A 109.4 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.4 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C13 C12 C11 120.5(6) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.8 . . ?
C35 C34 C33 119.8(6) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.0 . . ?
C54 C50 C49 109.4(5) . . ?
C54 C50 C51 111.0(5) . . ?
C49 C50 C51 107.0(5) . . ?
C54 C50 H50 109.5 . . ?
C49 C50 H50 109.8 . . ?
C51 C50 H50 110.1 . . ?
C52 C55 C48 108.3(5) . . ?
C52 C55 H55A 110.7 . . ?
C48 C55 H55A 110.0 . . ?
C52 C55 H55B 109.9 . . ?
C48 C55 H55B 109.5 . . ?
H55A C55 H55B 108.4 . . ?
C34 C35 C36 121.2(6) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.2 . . ?
C52 C51 C50 109.3(5) . . ?
C52 C51 H51A 109.8 . . ?
C50 C51 H51A 109.7 . . ?
C52 C51 H51B 109.9 . . ?
C50 C51 H51B 109.8 . . ?
H51A C51 H51B 108.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 N2 1.869(4) . ?
Ge1 N4 1.872(3) . ?
Ge1 N1 1.890(4) . ?
Ge1 B1 2.396(5) . ?
Ge1 Ge2 2.4754(8) . ?
Ge2 N5 1.905(4) . ?
Ge2 C45 2.055(6) . ?
N4 C23 1.439(6) . ?
N4 B2 1.463(6) . ?
N2 C9 1.419(6) . ?
N2 B1 1.448(6) . ?
N1 C1 1.423(6) . ?
N1 B1 1.475(7) . ?
N3 B1 1.423(6) . ?
N3 C20 1.473(6) . ?
N3 C17 1.475(6) . ?
N6 B2 1.441(6) . ?
N6 C39 1.472(6) . ?
N6 C42 1.477(6) . ?
N5 C31 1.433(6) . ?
N5 B2 1.460(6) . ?
C28 C27 1.391(6) . ?
C28 C23 1.398(6) . ?
C28 C30 1.508(6) . ?
C1 C6 1.404(6) . ?
C1 C2 1.410(6) . ?
C24 C25 1.389(7) . ?
C24 C23 1.402(6) . ?
C24 C29 1.497(7) . ?
C2 C3 1.393(7) . ?
C2 C7 1.503(7) . ?
C25 C26 1.370(7) . ?
C25 H25 0.9300 . ?
C20 C22 1.516(7) . ?
C20 C21 1.525(7) . ?
C20 H20 0.9801 . ?
C27 C26 1.383(7) . ?
C27 H27 0.9300 . ?
C17 C18 1.514(7) . ?
C17 C19 1.518(7) . ?
C17 H17 0.9800 . ?
C31 C36 1.405(7) . ?
C31 C32 1.406(7) . ?
C6 C5 1.385(7) . ?
C6 C8 1.503(7) . ?
C9 C10 1.402(7) . ?
C9 C14 1.415(7) . ?
C8 H8A 0.9601 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C30 H30A 0.9599 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9601 . ?
C45 N7 1.157(7) . ?
C14 C13 1.386(8) . ?
C14 C16 1.491(8) . ?
C3 C4 1.379(8) . ?
C3 H3 0.9301 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9601 . ?
C22 H22C 0.9600 . ?
C26 H26 0.9299 . ?
C39 C41 1.527(7) . ?
C39 C40 1.528(7) . ?
C39 H39 0.9799 . ?
C5 C4 1.375(8) . ?
C5 H5 0.9300 . ?
N7 C46 1.464(7) . ?
C42 C44 1.529(7) . ?
C42 C43 1.535(7) . ?
C42 H42 0.9800 . ?
C21 H21A 0.9601 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9601 . ?
C19 H19C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9599 . ?
C38 C36 1.493(8) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9598 . ?
C38 H38C 0.9600 . ?
C36 C35 1.393(8) . ?
C10 C11 1.392(8) . ?
C10 C15 1.492(8) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9599 . ?
C16 H16C 0.9600 . ?
C15 H15A 0.9599 . ?
C15 H15B 0.9601 . ?
C15 H15C 0.9599 . ?
C32 C33 1.384(8) . ?
C32 C37 1.495(8) . ?
C11 C12 1.375(10) . ?
C11 H11 0.9300 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9602 . ?
C4 H4 0.9300 . ?
C54 C50 1.473(9) . ?
C54 C46 1.548(8) . ?
C54 H54A 0.9699 . ?
C54 H54B 0.9702 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9599 . ?
C7 H7C 0.9601 . ?
C47 C48 1.501(9) . ?
C47 C46 1.528(8) . ?
C47 H47A 0.9699 . ?
C47 H47B 0.9702 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9599 . ?
C43 H43A 0.9599 . ?
C43 H43B 0.9601 . ?
C43 H43C 0.9600 . ?
C13 C12 1.370(10) . ?
C13 H13 0.9299 . ?
C46 C53 1.490(8) . ?
C52 C51 1.488(10) . ?
C52 C55 1.513(9) . ?
C52 C53 1.543(8) . ?
C52 H52 0.9800 . ?
C53 H53A 0.9699 . ?
C53 H53B 0.9700 . ?
C18 H18A 0.9601 . ?
C18 H18B 0.9599 . ?
C18 H18C 0.9600 . ?
C48 C49 1.511(9) . ?
C48 C55 1.548(9) . ?
C48 H48 0.9800 . ?
C33 C34 1.377(10) . ?
C33 H33 0.9300 . ?
C49 C50 1.520(8) . ?
C49 H49A 0.9701 . ?
C49 H49B 0.9700 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9599 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9599 . ?
C41 H41C 0.9601 . ?
C12 H12 0.9300 . ?
C34 C35 1.365(10) . ?
C34 H34 0.9299 . ?
C50 C51 1.571(9) . ?
C50 H50 0.9801 . ?
C55 H55A 0.9699 . ?
C55 H55B 0.9702 . ?
C35 H35 0.9300 . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
