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#$Date: 2024-01-06 09:23:42 +0200 (Sat, 06 Jan 2024) $
#$Revision: 288746 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/03/1570312.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_1570312
loop_
_publ_author_name
'Peddi, Balakrishna'
'Khan, Souvik'
'Gonnade, Rajesh G.'
'Yildiz, Cem B.'
'Majumdar, Moumita'
_publ_section_title
;
 Intramolecular donor-stabilized tetra-coordinated germanium(iv)
 di-cations and their Lewis acidic properties.
;
_journal_issue                   47
_journal_name_full               'Chemical science'
_journal_page_first              13755
_journal_page_last               13764
_journal_paper_doi               10.1039/d3sc03717g
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C36 H44 Cl Ge P2, Cl3 Ge, C H3 C N'
_chemical_formula_sum            'C38 H47 Cl4 Ge2 N P2'
_chemical_formula_weight         866.68
_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-12-02 deposited with the CCDC.	2023-11-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.653(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4966(3)
_cell_length_b                   24.3150(8)
_cell_length_c                   19.5124(6)
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.93
_cell_measurement_theta_min      2.92
_cell_volume                     3985.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_data_reduction        'SAINT (Bruker, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL, Mercury 2020.20'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'Omega and phi scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            52044
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.001
_diffrn_reflns_theta_max         67.001
_diffrn_reflns_theta_min         2.924
_diffrn_source                   'micro-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.291
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.6129
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (BRUKER, 2016)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_description       block
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.258
_exptl_crystal_size_mid          0.192
_exptl_crystal_size_min          0.118
_refine_diff_density_max         1.847
_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         7065
_refine_ls_number_restraints     89
_refine_ls_restrained_S_all      1.218
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0659
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0276P)²+26.2827P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1407
_refine_ls_wR_factor_ref         0.1435
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6418
_reflns_number_total             7065
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc03717g2.cif
_cod_data_source_block           aaaa_a
_cod_depositor_comments
'Adding full bibliography for 1570312--1570327.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1570312
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.342
_shelx_estimated_absorpt_t_max   0.574
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 0.31202(7) 0.48238(2) 0.73680(3) 0.01976(16) Uani 1 1 d . . . . .
Cl1 Cl 0.56795(14) 0.50009(5) 0.75805(6) 0.0256(3) Uani 1 1 d . . . . .
P1 P 0.37048(16) 0.38280(5) 0.70962(7) 0.0215(3) Uani 1 1 d . . . . .
P2 P 0.26240(15) 0.58698(5) 0.76605(7) 0.0216(3) Uani 1 1 d . . . . .
C1 C 0.2390(7) 0.4724(2) 0.8266(3) 0.0294(13) Uani 1 1 d . . . . .
C2 C 0.2542(5) 0.48891(19) 0.6363(2) 0.0159(9) Uani 1 1 d . U . . .
C3 C 0.1973(8) 0.4212(3) 0.8500(3) 0.0388(14) Uani 1 1 d . U . . .
H3 H 0.1815 0.3915 0.8180 0.047 Uiso 1 1 calc R U . . .
C4 C 0.1776(10) 0.4117(3) 0.9196(4) 0.0547(19) Uani 1 1 d . U . . .
H4 H 0.1417 0.3770 0.9335 0.066 Uiso 1 1 calc R U . . .
C5 C 0.2108(10) 0.4531(3) 0.9664(4) 0.0557(19) Uani 1 1 d . U . . .
C6 C 0.2938(10) 0.5443(4) 0.9966(4) 0.059(2) Uani 1 1 d . U . . .
C7 C 0.3405(11) 0.5960(4) 0.9801(4) 0.066(2) Uani 1 1 d . U . . .
H7 H 0.3759 0.6219 1.0155 0.079 Uiso 1 1 calc R U . . .
C8 C 0.3351(9) 0.6099(3) 0.9098(3) 0.0498(17) Uani 1 1 d . U . . .
H8 H 0.3592 0.6466 0.8984 0.060 Uiso 1 1 calc R U . . .
C9 C 0.2968(7) 0.5728(3) 0.8573(3) 0.0345(13) Uani 1 1 d . U . . .
C10 C 0.2567(9) 0.5051(3) 0.9431(3) 0.0450(16) Uani 1 1 d . U . . .
C11 C 0.2639(7) 0.5168(3) 0.8731(3) 0.0332(13) Uani 1 1 d . U . . .
C12 C 0.2131(12) 0.4566(4) 1.0443(5) 0.075(2) Uani 1 1 d . U . . .
H12A H 0.2849 0.4284 1.0687 0.090 Uiso 1 1 calc R U . . .
H12B H 0.1050 0.4514 1.0563 0.090 Uiso 1 1 calc R U . . .
C13 C 0.2762(12) 0.5160(4) 1.0642(5) 0.076(3) Uani 1 1 d . U . . .
H13A H 0.1999 0.5361 1.0886 0.092 Uiso 1 1 calc R U . . .
H13B H 0.3801 0.5142 1.0949 0.092 Uiso 1 1 calc R U . . .
C14 C 0.1784(5) 0.5334(2) 0.6016(2) 0.0173(10) Uani 1 1 d . . . . .
H14 H 0.1306 0.5601 0.6275 0.021 Uiso 1 1 calc R U . . .
C15 C 0.1689(6) 0.5411(2) 0.5292(3) 0.0212(10) Uani 1 1 d . . . . .
H15 H 0.1110 0.5711 0.5069 0.025 Uiso 1 1 calc R U . . .
C16 C 0.2441(6) 0.5045(2) 0.4918(2) 0.0181(10) Uani 1 1 d . . . . .
C17 C 0.3954(6) 0.4247(2) 0.4823(3) 0.0195(10) Uani 1 1 d . . . . .
C18 C 0.4753(6) 0.3791(2) 0.5093(3) 0.0239(11) Uani 1 1 d . . . . .
H18 H 0.5306 0.3566 0.4810 0.029 Uiso 1 1 calc R U . . .
C19 C 0.4749(6) 0.3659(2) 0.5792(3) 0.0234(11) Uani 1 1 d . . . . .
H19 H 0.5272 0.3333 0.5972 0.028 Uiso 1 1 calc R U . . .
C20 C 0.4004(6) 0.3990(2) 0.6231(2) 0.0187(10) Uani 1 1 d . . . . .
C21 C 0.3248(5) 0.4488(2) 0.5972(3) 0.0183(10) Uani 1 1 d . . . . .
C22 C 0.3210(6) 0.4593(2) 0.5263(2) 0.0184(10) Uani 1 1 d . . . . .
C23 C 0.3636(6) 0.4482(2) 0.4095(3) 0.0225(11) Uani 1 1 d . . . . .
H23A H 0.3029 0.4217 0.3772 0.027 Uiso 1 1 calc R U . . .
H23B H 0.4647 0.4570 0.3925 0.027 Uiso 1 1 calc R U . . .
C24 C 0.2642(6) 0.5015(2) 0.4160(2) 0.0230(11) Uani 1 1 d . . . . .
H24A H 0.3214 0.5343 0.4024 0.028 Uiso 1 1 calc R U . . .
H24B H 0.1594 0.4991 0.3861 0.028 Uiso 1 1 calc R U . . .
C25 C 0.0503(6) 0.6083(2) 0.7494(3) 0.0207(10) Uani 1 1 d . . . . .
H25 H 0.0273 0.6200 0.6998 0.025 Uiso 1 1 calc R U . . .
C26 C -0.0570(6) 0.5596(2) 0.7577(3) 0.0280(12) Uani 1 1 d . . . . .
H26A H -0.0375 0.5468 0.8059 0.042 Uiso 1 1 calc R U . . .
H26B H -0.0342 0.5298 0.7269 0.042 Uiso 1 1 calc R U . . .
H26C H -0.1685 0.5708 0.7458 0.042 Uiso 1 1 calc R U . . .
C27 C 0.0103(7) 0.6569(2) 0.7930(3) 0.0315(13) Uani 1 1 d . . . . .
H27A H -0.1022 0.6666 0.7801 0.047 Uiso 1 1 calc R U . . .
H27B H 0.0767 0.6885 0.7847 0.047 Uiso 1 1 calc R U . . .
H27C H 0.0308 0.6470 0.8422 0.047 Uiso 1 1 calc R U . . .
C28 C 0.3749(6) 0.6498(2) 0.7507(3) 0.0329(13) Uani 1 1 d . . . . .
H28 H 0.3368 0.6802 0.7785 0.040 Uiso 1 1 calc R U . . .
C29 C 0.3390(8) 0.6662(3) 0.6740(4) 0.0435(16) Uani 1 1 d . . . . .
H29A H 0.4006 0.6991 0.6661 0.065 Uiso 1 1 calc R U . . .
H29B H 0.2252 0.6741 0.6617 0.065 Uiso 1 1 calc R U . . .
H29C H 0.3685 0.6360 0.6452 0.065 Uiso 1 1 calc R U . . .
C30 C 0.5531(7) 0.6437(3) 0.7732(5) 0.054(2) Uani 1 1 d . . . . .
H30A H 0.5951 0.6161 0.7440 0.081 Uiso 1 1 calc R U . . .
H30B H 0.5736 0.6318 0.8217 0.081 Uiso 1 1 calc R U . . .
H30C H 0.6055 0.6790 0.7684 0.081 Uiso 1 1 calc R U . . .
C31 C 0.1960(7) 0.3362(2) 0.6969(3) 0.0328(13) Uani 1 1 d . . . . .
H31 H 0.1785 0.3230 0.7437 0.039 Uiso 1 1 calc R U . . .
C32 C 0.0459(7) 0.3679(3) 0.6652(4) 0.0428(16) Uani 1 1 d . . . . .
H32A H 0.0637 0.3848 0.6214 0.064 Uiso 1 1 calc R U . . .
H32B H 0.0228 0.3967 0.6975 0.064 Uiso 1 1 calc R U . . .
H32C H -0.0444 0.3425 0.6566 0.064 Uiso 1 1 calc R U . . .
C33 C 0.2192(8) 0.2859(2) 0.6535(4) 0.0429(16) Uani 1 1 d . . . . .
H33A H 0.1265 0.2616 0.6518 0.064 Uiso 1 1 calc R U . . .
H33B H 0.3151 0.2661 0.6743 0.064 Uiso 1 1 calc R U . . .
H33C H 0.2309 0.2974 0.6064 0.064 Uiso 1 1 calc R U . . .
C34 C 0.5403(7) 0.3417(2) 0.7521(3) 0.0325(13) Uani 1 1 d . . . . .
H34 H 0.5404 0.3065 0.7257 0.039 Uiso 1 1 calc R U . . .
C35 C 0.5154(9) 0.3267(3) 0.8258(3) 0.0482(17) Uani 1 1 d . . . . .
H35A H 0.6075 0.3059 0.8484 0.072 Uiso 1 1 calc R U . . .
H35B H 0.4191 0.3043 0.8240 0.072 Uiso 1 1 calc R U . . .
H35C H 0.5036 0.3604 0.8521 0.072 Uiso 1 1 calc R U . . .
C36 C 0.7002(7) 0.3685(3) 0.7512(3) 0.0423(16) Uani 1 1 d . . . . .
H36A H 0.7119 0.3998 0.7831 0.063 Uiso 1 1 calc R U . . .
H36B H 0.7077 0.3812 0.7042 0.063 Uiso 1 1 calc R U . . .
H36C H 0.7848 0.3417 0.7657 0.063 Uiso 1 1 calc R U . . .
N1 N 0.7306(8) 0.2579(3) 0.6210(4) 0.0560(16) Uani 1 1 d . . . . .
C37 C 0.7688(10) 0.2497(3) 0.5691(4) 0.057(2) Uani 1 1 d D . . . .
C38 C 0.877(4) 0.2272(14) 0.5147(14) 0.082(9) Uani 0.35 1 d D U P A 1
H38A H 0.8175 0.1998 0.4845 0.123 Uiso 0.35 1 calc R U P A 1
H38B H 0.9737 0.2102 0.5398 0.123 Uiso 0.35 1 calc R U P A 1
H38C H 0.9070 0.2578 0.4866 0.123 Uiso 0.35 1 calc R U P A 1
C38' C 0.801(2) 0.2405(7) 0.4988(7) 0.077(4) Uani 0.65 1 d D U P A 2
H38D H 0.7117 0.2205 0.4723 0.115 Uiso 0.65 1 calc R U P A 2
H38E H 0.8986 0.2189 0.5002 0.115 Uiso 0.65 1 calc R U P A 2
H38F H 0.8139 0.2760 0.4765 0.115 Uiso 0.65 1 calc R U P A 2
Ge2 Ge 0.22516(9) 0.28570(3) 0.39321(4) 0.0353(3) Uani 0.889(2) 1 d . . P B 1
Cl2 Cl 0.0673(3) 0.34094(9) 0.44873(13) 0.0327(5) Uani 0.889(2) 1 d . . P B 1
Cl3 Cl 0.0248(3) 0.22737(11) 0.34633(11) 0.0444(5) Uani 0.889(2) 1 d . . P B 1
Cl4 Cl 0.3286(3) 0.23059(9) 0.48455(12) 0.0462(5) Uani 0.889(2) 1 d . . P B 1
Ge2' Ge 0.1486(8) 0.2512(3) 0.4422(3) 0.036(2) Uani 0.111(2) 1 d D . P B 2
Cl2' Cl 0.044(3) 0.3278(8) 0.4749(12) 0.044(5) Uani 0.111(2) 1 d D . P B 2
Cl3' Cl 0.0044(18) 0.2003(7) 0.3631(9) 0.041(4) Uani 0.111(2) 1 d D . P B 2
Cl4' Cl 0.382(2) 0.2231(9) 0.4921(12) 0.0462(5) Uani 0.111(2) 1 d D . P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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
_geom_angle_publ_flag
C2 Ge1 C1 147.3(2) . . ?
C2 Ge1 Cl1 105.43(14) . . ?
C1 Ge1 Cl1 107.06(18) . . ?
C2 Ge1 P1 84.01(14) . . ?
C1 Ge1 P1 99.55(17) . . ?
Cl1 Ge1 P1 90.41(5) . . ?
C2 Ge1 P2 96.53(14) . . ?
C1 Ge1 P2 81.09(17) . . ?
Cl1 Ge1 P2 87.50(5) . . ?
P1 Ge1 P2 177.90(5) . . ?
C20 P1 C34 109.3(2) . . ?
C20 P1 C31 103.4(2) . . ?
C34 P1 C31 106.6(3) . . ?
C20 P1 Ge1 92.72(16) . . ?
C34 P1 Ge1 125.8(2) . . ?
C31 P1 Ge1 115.63(19) . . ?
C9 P2 C28 108.0(3) . . ?
C9 P2 C25 103.7(3) . . ?
C28 P2 C25 104.6(2) . . ?
C9 P2 Ge1 91.3(2) . . ?
C28 P2 Ge1 130.83(18) . . ?
C25 P2 Ge1 114.31(17) . . ?
C3 C1 C11 119.8(5) . . ?
C3 C1 Ge1 122.4(4) . . ?
C11 C1 Ge1 116.4(4) . . ?
C14 C2 C21 118.4(4) . . ?
C14 C2 Ge1 125.6(4) . . ?
C21 C2 Ge1 114.8(3) . . ?
C1 C3 C4 122.4(6) . . ?
C1 C3 H3 118.8 . . ?
C4 C3 H3 118.8 . . ?
C5 C4 C3 118.8(7) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
C4 C5 C10 119.0(7) . . ?
C4 C5 C12 133.1(8) . . ?
C10 C5 C12 107.9(7) . . ?
C7 C6 C10 119.1(7) . . ?
C7 C6 C13 133.7(8) . . ?
C10 C6 C13 107.2(8) . . ?
C6 C7 C8 118.7(8) . . ?
C6 C7 H7 120.6 . . ?
C8 C7 H7 120.6 . . ?
C9 C8 C7 122.8(8) . . ?
C9 C8 H8 118.6 . . ?
C7 C8 H8 118.6 . . ?
C8 C9 C11 119.9(6) . . ?
C8 C9 P2 127.0(5) . . ?
C11 C9 P2 112.8(4) . . ?
C11 C10 C6 122.9(7) . . ?
C11 C10 C5 123.1(7) . . ?
C6 C10 C5 114.0(6) . . ?
C1 C11 C10 116.5(6) . . ?
C1 C11 C9 127.4(5) . . ?
C10 C11 C9 116.1(6) . . ?
C5 C12 C13 104.6(7) . . ?
C5 C12 H12A 110.8 . . ?
C13 C12 H12A 110.8 . . ?
C5 C12 H12B 110.8 . . ?
C13 C12 H12B 110.8 . . ?
H12A C12 H12B 108.9 . . ?
C6 C13 C12 106.1(7) . . ?
C6 C13 H13A 110.5 . . ?
C12 C13 H13A 110.5 . . ?
C6 C13 H13B 110.5 . . ?
C12 C13 H13B 110.5 . . ?
H13A C13 H13B 108.7 . . ?
C2 C14 C15 123.0(4) . . ?
C2 C14 H14 118.5 . . ?
C15 C14 H14 118.5 . . ?
C16 C15 C14 119.1(5) . . ?
C16 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?
C15 C16 C22 118.4(4) . . ?
C15 C16 C24 133.0(5) . . ?
C22 C16 C24 108.5(4) . . ?
C18 C17 C22 119.4(5) . . ?
C18 C17 C23 132.4(5) . . ?
C22 C17 C23 108.2(4) . . ?
C17 C18 C19 119.2(5) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C20 C19 C18 122.2(5) . . ?
C20 C19 H19 118.9 . . ?
C18 C19 H19 118.9 . . ?
C19 C20 C21 119.6(4) . . ?
C19 C20 P1 126.5(4) . . ?
C21 C20 P1 113.6(4) . . ?
C22 C21 C2 117.0(4) . . ?
C22 C21 C20 116.5(4) . . ?
C2 C21 C20 126.5(4) . . ?
C16 C22 C21 123.9(5) . . ?
C16 C22 C17 113.2(4) . . ?
C21 C22 C17 123.0(5) . . ?
C17 C23 C24 105.0(4) . . ?
C17 C23 H23A 110.8 . . ?
C24 C23 H23A 110.8 . . ?
C17 C23 H23B 110.8 . . ?
C24 C23 H23B 110.8 . . ?
H23A C23 H23B 108.8 . . ?
C16 C24 C23 105.2(4) . . ?
C16 C24 H24A 110.7 . . ?
C23 C24 H24A 110.7 . . ?
C16 C24 H24B 110.7 . . ?
C23 C24 H24B 110.7 . . ?
H24A C24 H24B 108.8 . . ?
C26 C25 C27 110.9(4) . . ?
C26 C25 P2 110.3(4) . . ?
C27 C25 P2 114.3(4) . . ?
C26 C25 H25 107.0 . . ?
C27 C25 H25 107.0 . . ?
P2 C25 H25 107.0 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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 . . ?
C30 C28 C29 110.5(6) . . ?
C30 C28 P2 112.8(4) . . ?
C29 C28 P2 110.0(4) . . ?
C30 C28 H28 107.8 . . ?
C29 C28 H28 107.8 . . ?
P2 C28 H28 107.8 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C33 C31 C32 110.4(5) . . ?
C33 C31 P1 113.5(4) . . ?
C32 C31 P1 110.2(4) . . ?
C33 C31 H31 107.5 . . ?
C32 C31 H31 107.5 . . ?
P1 C31 H31 107.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C36 C34 C35 111.5(5) . . ?
C36 C34 P1 114.0(4) . . ?
C35 C34 P1 110.0(4) . . ?
C36 C34 H34 107.0 . . ?
C35 C34 H34 107.0 . . ?
P1 C34 H34 107.0 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N1 C37 C38' 173.9(11) . . ?
N1 C37 C38 158.0(14) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C38' H38D 109.5 . . ?
C37 C38' H38E 109.5 . . ?
H38D C38' H38E 109.5 . . ?
C37 C38' H38F 109.5 . . ?
H38D C38' H38F 109.5 . . ?
H38E C38' H38F 109.5 . . ?
Cl2 Ge2 Cl4 99.12(9) . . ?
Cl2 Ge2 Cl3 95.70(8) . . ?
Cl4 Ge2 Cl3 97.05(9) . . ?
Cl4' Ge2' Cl2' 120.9(9) . . ?
Cl4' Ge2' Cl3' 120.6(8) . . ?
Cl2' Ge2' Cl3' 118.3(8) . . ?
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 C2 1.955(5) . ?
Ge1 C1 1.959(5) . ?
Ge1 Cl1 2.1943(14) . ?
Ge1 P1 2.5436(14) . ?
Ge1 P2 2.6540(14) . ?
P1 C20 1.789(5) . ?
P1 C34 1.846(6) . ?
P1 C31 1.852(6) . ?
P2 C9 1.793(6) . ?
P2 C28 1.851(6) . ?
P2 C25 1.856(5) . ?
C1 C3 1.390(9) . ?
C1 C11 1.406(8) . ?
C2 C14 1.383(7) . ?
C2 C21 1.426(7) . ?
C3 C4 1.414(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.360(11) . ?
C4 H4 0.9500 . ?
C5 C10 1.418(11) . ?
C5 C12 1.519(11) . ?
C6 C7 1.370(12) . ?
C6 C10 1.414(10) . ?
C6 C13 1.517(12) . ?
C7 C8 1.407(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.368(9) . ?
C8 H8 0.9500 . ?
C9 C11 1.433(9) . ?
C10 C11 1.407(8) . ?
C12 C13 1.567(13) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.416(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.367(7) . ?
C15 H15 0.9500 . ?
C16 C22 1.400(7) . ?
C16 C24 1.517(7) . ?
C17 C18 1.364(7) . ?
C17 C22 1.416(7) . ?
C17 C23 1.518(7) . ?
C18 C19 1.402(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.395(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.427(7) . ?
C21 C22 1.401(7) . ?
C23 C24 1.562(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.518(7) . ?
C25 C27 1.524(7) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C30 1.519(8) . ?
C28 C29 1.533(9) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C33 1.518(8) . ?
C31 C32 1.538(9) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C36 1.508(9) . ?
C34 C35 1.528(8) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
N1 C37 1.128(10) . ?
C37 C38' 1.455(13) . ?
C37 C38 1.602(18) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C38' H38D 0.9800 . ?
C38' H38E 0.9800 . ?
C38' H38F 0.9800 . ?
Ge2 Cl2 2.283(2) . ?
Ge2 Cl4 2.296(2) . ?
Ge2 Cl3 2.297(2) . ?
Ge2' Cl4' 2.186(15) . ?
Ge2' Cl2' 2.199(15) . ?
Ge2' Cl3' 2.202(14) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 C1 C3 C4 0.3(10) . . . . ?
Ge1 C1 C3 C4 166.2(5) . . . . ?
C1 C3 C4 C5 -4.5(11) . . . . ?
C3 C4 C5 C10 3.0(11) . . . . ?
C3 C4 C5 C12 -175.7(8) . . . . ?
C10 C6 C7 C8 6.1(12) . . . . ?
C13 C6 C7 C8 -176.7(9) . . . . ?
C6 C7 C8 C9 -5.1(12) . . . . ?
C7 C8 C9 C11 -1.6(11) . . . . ?
C7 C8 C9 P2 171.9(6) . . . . ?
C28 P2 C9 C8 26.5(7) . . . . ?
C25 P2 C9 C8 -84.1(7) . . . . ?
Ge1 P2 C9 C8 160.5(6) . . . . ?
C28 P2 C9 C11 -159.7(4) . . . . ?
C25 P2 C9 C11 89.7(5) . . . . ?
Ge1 P2 C9 C11 -25.7(4) . . . . ?
C7 C6 C10 C11 -0.7(12) . . . . ?
C13 C6 C10 C11 -178.6(7) . . . . ?
C7 C6 C10 C5 179.7(7) . . . . ?
C13 C6 C10 C5 1.8(9) . . . . ?
C4 C5 C10 C11 2.6(11) . . . . ?
C12 C5 C10 C11 -178.5(7) . . . . ?
C4 C5 C10 C6 -177.8(7) . . . . ?
C12 C5 C10 C6 1.1(9) . . . . ?
C3 C1 C11 C10 4.9(9) . . . . ?
Ge1 C1 C11 C10 -161.8(5) . . . . ?
C3 C1 C11 C9 -175.5(6) . . . . ?
Ge1 C1 C11 C9 17.8(8) . . . . ?
C6 C10 C11 C1 173.9(6) . . . . ?
C5 C10 C11 C1 -6.5(10) . . . . ?
C6 C10 C11 C9 -5.7(10) . . . . ?
C5 C10 C11 C9 173.9(6) . . . . ?
C8 C9 C11 C1 -172.9(6) . . . . ?
P2 C9 C11 C1 12.8(8) . . . . ?
C8 C9 C11 C10 6.7(9) . . . . ?
P2 C9 C11 C10 -167.6(5) . . . . ?
C4 C5 C12 C13 175.4(9) . . . . ?
C10 C5 C12 C13 -3.4(9) . . . . ?
C7 C6 C13 C12 178.7(9) . . . . ?
C10 C6 C13 C12 -3.8(10) . . . . ?
C5 C12 C13 C6 4.3(10) . . . . ?
C21 C2 C14 C15 -0.4(7) . . . . ?
Ge1 C2 C14 C15 166.5(4) . . . . ?
C2 C14 C15 C16 -3.3(7) . . . . ?
C14 C15 C16 C22 3.2(7) . . . . ?
C14 C15 C16 C24 -177.1(5) . . . . ?
C22 C17 C18 C19 3.4(7) . . . . ?
C23 C17 C18 C19 -175.5(5) . . . . ?
C17 C18 C19 C20 -2.5(8) . . . . ?
C18 C19 C20 C21 -1.6(8) . . . . ?
C18 C19 C20 P1 171.9(4) . . . . ?
C34 P1 C20 C19 33.9(5) . . . . ?
C31 P1 C20 C19 -79.3(5) . . . . ?
Ge1 P1 C20 C19 163.5(5) . . . . ?
C34 P1 C20 C21 -152.2(4) . . . . ?
C31 P1 C20 C21 94.5(4) . . . . ?
Ge1 P1 C20 C21 -22.7(4) . . . . ?
C14 C2 C21 C22 4.0(7) . . . . ?
Ge1 C2 C21 C22 -164.4(3) . . . . ?
C14 C2 C21 C20 -176.5(5) . . . . ?
Ge1 C2 C21 C20 15.2(6) . . . . ?
C19 C20 C21 C22 4.5(7) . . . . ?
P1 C20 C21 C22 -169.8(4) . . . . ?
C19 C20 C21 C2 -175.0(5) . . . . ?
P1 C20 C21 C2 10.7(6) . . . . ?
C15 C16 C22 C21 0.5(7) . . . . ?
C24 C16 C22 C21 -179.3(4) . . . . ?
C15 C16 C22 C17 -179.6(4) . . . . ?
C24 C16 C22 C17 0.7(6) . . . . ?
C2 C21 C22 C16 -4.1(7) . . . . ?
C20 C21 C22 C16 176.3(4) . . . . ?
C2 C21 C22 C17 175.9(4) . . . . ?
C20 C21 C22 C17 -3.7(7) . . . . ?
C18 C17 C22 C16 179.8(5) . . . . ?
C23 C17 C22 C16 -1.1(6) . . . . ?
C18 C17 C22 C21 -0.2(7) . . . . ?
C23 C17 C22 C21 178.8(4) . . . . ?
C18 C17 C23 C24 -180.0(5) . . . . ?
C22 C17 C23 C24 1.1(5) . . . . ?
C15 C16 C24 C23 -179.7(5) . . . . ?
C22 C16 C24 C23 0.1(5) . . . . ?
C17 C23 C24 C16 -0.7(5) . . . . ?
C9 P2 C25 C26 -69.0(4) . . . . ?
C28 P2 C25 C26 178.0(4) . . . . ?
Ge1 P2 C25 C26 28.8(4) . . . . ?
C9 P2 C25 C27 56.8(5) . . . . ?
C28 P2 C25 C27 -56.3(5) . . . . ?
Ge1 P2 C25 C27 154.5(3) . . . . ?
C9 P2 C28 C30 60.5(5) . . . . ?
C25 P2 C28 C30 170.4(5) . . . . ?
Ge1 P2 C28 C30 -47.7(6) . . . . ?
C9 P2 C28 C29 -175.6(4) . . . . ?
C25 P2 C28 C29 -65.7(4) . . . . ?
Ge1 P2 C28 C29 76.3(5) . . . . ?
C20 P1 C31 C33 56.6(5) . . . . ?
C34 P1 C31 C33 -58.6(5) . . . . ?
Ge1 P1 C31 C33 156.3(4) . . . . ?
C20 P1 C31 C32 -67.9(5) . . . . ?
C34 P1 C31 C32 176.9(4) . . . . ?
Ge1 P1 C31 C32 31.8(5) . . . . ?
C20 P1 C34 C36 54.9(5) . . . . ?
C31 P1 C34 C36 166.0(4) . . . . ?
Ge1 P1 C34 C36 -53.5(5) . . . . ?
C20 P1 C34 C35 -179.1(4) . . . . ?
C31 P1 C34 C35 -67.9(5) . . . . ?
Ge1 P1 C34 C35 72.6(5) . . . . ?
