#------------------------------------------------------------------------------
#$Date: 2024-01-06 09:23:42 +0200 (Sat, 06 Jan 2024) $
#$Revision: 288746 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/03/1570313.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_1570313
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, C F3 O3 S, C H2 Cl2'
_chemical_formula_sum            'C38 H46 Cl3 F3 Ge O3 P2 S'
_chemical_formula_weight         880.69
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/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                90.00(3)
_cell_angle_beta                 102.93(3)
_cell_angle_gamma                90.00(3)
_cell_formula_units_Z            4
_cell_length_a                   17.954(4)
_cell_length_b                   9.494(2)
_cell_length_c                   26.010(5)
_cell_measurement_reflns_used    7669
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.058
_cell_measurement_theta_min      1.164
_cell_volume                     4321.1(16)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'Omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0920
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            45776
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.058
_diffrn_reflns_theta_max         25.058
_diffrn_reflns_theta_min         1.164
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.063
_exptl_absorpt_correction_T_max  0.808
_exptl_absorpt_correction_T_min  0.689
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.861
_refine_diff_density_min         -0.980
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         7545
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0484
_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)+(0.0346P)²+5.7765P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1234
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4938
_reflns_number_total             7545
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc03717g2.cif
_cod_data_source_block           TRY_a
_cod_depositor_comments
'Adding full bibliography for 1570312--1570327.cif.'
_cod_original_cell_volume        4321.4(16)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               1570313
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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
Cl1 Cl 0.5000 0.23979(15) 0.7500 0.0378(4) Uani 1 2 d S T P . .
P1 P 0.45894(6) 0.45955(11) 0.64603(4) 0.0282(3) Uani 1 1 d . . . . .
C1 C 0.6000(2) 0.5324(4) 0.73602(15) 0.0297(9) Uani 1 1 d . . . . .
S1 S 0.81211(7) 0.22431(14) 0.49534(4) 0.0444(3) Uani 1 1 d . . . . .
O1 O 0.87947(18) 0.1546(4) 0.48426(12) 0.0545(9) Uani 1 1 d . . . . .
Ge1 Ge 0.5000 0.47445(6) 0.7500 0.02906(17) Uani 1 2 d S T P . .
F2 F 0.8953(3) 0.4549(5) 0.5175(2) 0.1307(17) Uani 1 1 d . . . . .
O2 O 0.7410(2) 0.1963(5) 0.45715(15) 0.0808(13) Uani 1 1 d . . . . .
F3 F 0.8352(2) 0.4375(4) 0.43514(15) 0.1062(13) Uani 1 1 d . U . . .
O3 O 0.8059(2) 0.2180(4) 0.55052(12) 0.0575(9) Uani 1 1 d . . . . .
C3 C 0.6623(2) 0.5810(5) 0.77515(16) 0.0385(11) Uani 1 1 d . . . . .
H3 H 0.6531 0.6079 0.8084 0.046 Uiso 1 1 calc R U . . .
F4 F 0.7727(2) 0.4932(4) 0.49495(15) 0.1028(12) Uani 1 1 d . U . . .
C4 C 0.7390(3) 0.5920(5) 0.76746(18) 0.0448(12) Uani 1 1 d . . . . .
H4 H 0.7788 0.6285 0.7946 0.054 Uiso 1 1 calc R U . . .
C5 C 0.7540(2) 0.5483(5) 0.71947(17) 0.0402(11) Uani 1 1 d . . . . .
C6 C 0.7160(2) 0.4536(5) 0.63276(16) 0.0358(10) Uani 1 1 d . . . . .
C7 C 0.6615(2) 0.3989(5) 0.59073(16) 0.0382(11) Uani 1 1 d . . . . .
H7 H 0.6761 0.3642 0.5602 0.046 Uiso 1 1 calc R U . . .
C8 C 0.5829(2) 0.3956(4) 0.59430(15) 0.0340(10) Uani 1 1 d . . . . .
H8 H 0.5460 0.3616 0.5649 0.041 Uiso 1 1 calc R U . . .
C9 C 0.5579(2) 0.4404(4) 0.63931(15) 0.0288(9) Uani 1 1 d . . . . .
C10 C 0.6919(2) 0.4967(4) 0.67929(15) 0.0317(10) Uani 1 1 d . . . . .
C11 C 0.6149(2) 0.4903(4) 0.68517(15) 0.0305(10) Uani 1 1 d . . . . .
C12 C 0.8284(3) 0.5399(7) 0.69911(19) 0.0625(16) Uani 1 1 d . . . . .
H12A H 0.8660 0.4769 0.7217 0.075 Uiso 1 1 calc R U . . .
H12B H 0.8515 0.6344 0.6986 0.075 Uiso 1 1 calc R U . . .
C13 C 0.8030(2) 0.4785(5) 0.64135(17) 0.0452(12) Uani 1 1 d . . . . .
H13A H 0.8142 0.5464 0.6152 0.054 Uiso 1 1 calc R U . . .
H13B H 0.8300 0.3891 0.6381 0.054 Uiso 1 1 calc R U . . .
C14 C 0.4253(2) 0.6273(4) 0.60891(15) 0.0341(10) Uani 1 1 d . . . . .
H14 H 0.3692 0.6355 0.6068 0.041 Uiso 1 1 calc R U . . .
C15 C 0.4371(3) 0.6303(5) 0.55156(16) 0.0499(13) Uani 1 1 d . . . . .
H15D H 0.4143 0.5459 0.5327 0.075 Uiso 1 1 calc R U . . .
H15E H 0.4919 0.6327 0.5523 0.075 Uiso 1 1 calc R U . . .
H15F H 0.4125 0.7144 0.5335 0.075 Uiso 1 1 calc R U . . .
C16 C 0.4644(3) 0.7574(5) 0.64017(18) 0.0468(12) Uani 1 1 d . . . . .
H16D H 0.4438 0.8439 0.6217 0.070 Uiso 1 1 calc R U . . .
H16E H 0.5196 0.7531 0.6428 0.070 Uiso 1 1 calc R U . . .
H16F H 0.4542 0.7572 0.6756 0.070 Uiso 1 1 calc R U . . .
C17 C 0.3968(2) 0.3162(5) 0.60811(17) 0.0393(11) Uani 1 1 d . . . . .
H17 H 0.3867 0.3423 0.5699 0.047 Uiso 1 1 calc R U . . .
C18 C 0.4332(3) 0.1680(5) 0.61345(18) 0.0486(12) Uani 1 1 d . . . . .
H18D H 0.4000 0.1028 0.5895 0.073 Uiso 1 1 calc R U . . .
H18E H 0.4395 0.1350 0.6499 0.073 Uiso 1 1 calc R U . . .
H18F H 0.4833 0.1722 0.6043 0.073 Uiso 1 1 calc R U . . .
C19 C 0.3181(3) 0.3156(6) 0.6243(2) 0.0678(16) Uani 1 1 d . . . . .
H19A H 0.2956 0.4100 0.6195 0.102 Uiso 1 1 calc R U . . .
H19B H 0.3256 0.2880 0.6614 0.102 Uiso 1 1 calc R U . . .
H19C H 0.2837 0.2483 0.6022 0.102 Uiso 1 1 calc R U . . .
C20 C 0.8313(4) 0.4114(7) 0.4859(2) 0.0745(19) Uani 1 1 d . . . . .
Ge1' Ge 1.0000 -0.00946(7) 0.7500 0.03050(17) Uani 1 2 d DS TU P . .
Cl1' Cl 1.0000 -0.24544(15) 0.7500 0.0343(3) Uani 1 2 d S T P . .
P1' P 0.97541(6) -0.01033(12) 0.84754(4) 0.0291(3) Uani 1 1 d D U . . .
C1' C 0.8905(2) 0.0468(4) 0.73052(15) 0.0303(9) Uani 1 1 d . . . . .
C3' C 0.8520(2) 0.0910(4) 0.68002(16) 0.0362(10) Uani 1 1 d . . . . .
H3' H 0.8818 0.1170 0.6556 0.043 Uiso 1 1 calc R U . . .
C4' C 0.7703(2) 0.0993(5) 0.66309(16) 0.0396(11) Uani 1 1 d . . . . .
H4' H 0.7472 0.1362 0.6293 0.048 Uiso 1 1 calc R U . . .
C5' C 0.7254(2) 0.0522(4) 0.69715(16) 0.0332(10) Uani 1 1 d . . . . .
C6' C 0.7099(2) -0.0382(4) 0.77940(16) 0.0331(10) Uani 1 1 d . . . . .
C7' C 0.7381(2) -0.0767(4) 0.83198(16) 0.0358(10) Uani 1 1 d . . . . .
H7' H 0.7042 -0.1064 0.8532 0.043 Uiso 1 1 calc R U . . .
C8' C 0.8189(2) -0.0706(4) 0.85351(16) 0.0345(10) Uani 1 1 d . . . . .
H8' H 0.8376 -0.0945 0.8896 0.041 Uiso 1 1 calc R U . . .
C9' C 0.8722(2) -0.0302(4) 0.82317(15) 0.0302(9) Uani 1 1 d . . . . .
C10' C 0.7626(2) 0.0073(4) 0.74898(15) 0.0299(9) Uani 1 1 d . . . . .
C11' C 0.8442(2) 0.0088(4) 0.76839(15) 0.0293(9) Uani 1 1 d . . . . .
C12' C 0.6385(3) 0.0410(5) 0.69153(18) 0.0476(12) Uani 1 1 d . . . . .
H12C H 0.6146 -0.0138 0.6597 0.057 Uiso 1 1 calc R U . . .
H12D H 0.6148 0.1356 0.6891 0.057 Uiso 1 1 calc R U . . .
C13' C 0.6293(2) -0.0378(5) 0.74345(17) 0.0432(11) Uani 1 1 d . . . . .
H13C H 0.5929 0.0129 0.7604 0.052 Uiso 1 1 calc R U . . .
H13D H 0.6106 -0.1352 0.7354 0.052 Uiso 1 1 calc R U . . .
C14' C 0.9865(3) 0.1647(5) 0.88307(16) 0.0388(11) Uani 1 1 d . . . . .
H14' H 1.0414 0.1731 0.9018 0.047 Uiso 1 1 calc R U . . .
C15' C 0.9380(3) 0.1788(6) 0.92594(19) 0.0550(14) Uani 1 1 d . . . . .
H15A H 0.9489 0.2695 0.9440 0.083 Uiso 1 1 calc R U . . .
H15B H 0.9511 0.1022 0.9516 0.083 Uiso 1 1 calc R U . . .
H15C H 0.8835 0.1736 0.9090 0.083 Uiso 1 1 calc R U . . .
C16' C 0.9695(3) 0.2875(5) 0.8428(2) 0.0604(15) Uani 1 1 d . . . . .
H16A H 1.0020 0.2785 0.8174 0.091 Uiso 1 1 calc R U . . .
H16B H 0.9799 0.3774 0.8615 0.091 Uiso 1 1 calc R U . . .
H16C H 0.9156 0.2840 0.8241 0.091 Uiso 1 1 calc R U . . .
C17' C 1.0087(2) -0.1471(4) 0.90005(16) 0.0348(10) Uani 1 1 d . . . . .
H17' H 0.9855 -0.1229 0.9305 0.042 Uiso 1 1 calc R U . . .
C18' C 0.9834(3) -0.2989(5) 0.88294(18) 0.0471(12) Uani 1 1 d . . . . .
H18A H 0.9291 -0.2992 0.8654 0.071 Uiso 1 1 calc R U . . .
H18B H 0.9917 -0.3600 0.9141 0.071 Uiso 1 1 calc R U . . .
H18C H 1.0135 -0.3337 0.8585 0.071 Uiso 1 1 calc R U . . .
C19' C 1.0972(3) -0.1400(5) 0.9203(2) 0.0543(13) Uani 1 1 d . . . . .
H19D H 1.1220 -0.1659 0.8917 0.082 Uiso 1 1 calc R U . . .
H19E H 1.1131 -0.2055 0.9499 0.082 Uiso 1 1 calc R U . . .
H19F H 1.1122 -0.0440 0.9322 0.082 Uiso 1 1 calc R U . . .
C1S C 0.6848(3) 0.9238(6) 0.5337(2) 0.0694(16) Uani 1 1 d . . . . .
H1SA H 0.6965 0.9292 0.4983 0.083 Uiso 1 1 calc R U . . .
H1SB H 0.7267 0.9711 0.5590 0.083 Uiso 1 1 calc R U . . .
Cl1S Cl 0.59777(11) 1.01197(19) 0.53264(7) 0.0931(6) Uani 1 1 d . . . . .
Cl2S Cl 0.68031(12) 0.74715(19) 0.55164(10) 0.1259(8) Uani 1 1 d . . . . .
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'
F F 0.0171 0.0103 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C9 P1 C14 103.90(19) . . ?
C9 P1 C17 110.48(19) . . ?
C14 P1 C17 104.9(2) . . ?
C9 P1 Ge1 92.78(13) . . ?
C14 P1 Ge1 117.50(13) . . ?
C17 P1 Ge1 124.69(14) . . ?
C3 C1 C11 117.7(4) . . ?
C3 C1 Ge1 124.2(3) . . ?
C11 C1 Ge1 116.5(3) . . ?
O2 S1 O1 114.8(2) . . ?
O2 S1 O3 114.4(2) . . ?
O1 S1 O3 114.97(19) . . ?
O2 S1 C20 104.4(3) . . ?
O1 S1 C20 102.9(2) . . ?
O3 S1 C20 103.2(2) . . ?
C1 Ge1 C1 147.9(2) 2_656 . ?
C1 Ge1 Cl1 106.06(12) 2_656 . ?
C1 Ge1 Cl1 106.06(12) . . ?
C1 Ge1 P1 98.36(12) 2_656 . ?
C1 Ge1 P1 83.35(12) . . ?
Cl1 Ge1 P1 86.93(4) . . ?
C1 Ge1 P1 83.35(12) 2_656 2_656 ?
C1 Ge1 P1 98.36(12) . 2_656 ?
Cl1 Ge1 P1 86.93(4) . 2_656 ?
P1 Ge1 P1 173.86(5) . 2_656 ?
C1 C3 C4 123.5(4) . . ?
C1 C3 H3 118.2 . . ?
C4 C3 H3 118.2 . . ?
C5 C4 C3 118.9(4) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C10 118.6(4) . . ?
C4 C5 C12 132.5(4) . . ?
C10 C5 C12 108.9(4) . . ?
C7 C6 C10 118.5(4) . . ?
C7 C6 C13 132.8(4) . . ?
C10 C6 C13 108.7(4) . . ?
C6 C7 C8 119.0(4) . . ?
C6 C7 H7 120.5 . . ?
C8 C7 H7 120.5 . . ?
C9 C8 C7 123.2(4) . . ?
C9 C8 H8 118.4 . . ?
C7 C8 H8 118.4 . . ?
C8 C9 C11 118.5(4) . . ?
C8 C9 P1 127.2(3) . . ?
C11 C9 P1 114.0(3) . . ?
C11 C10 C5 123.5(4) . . ?
C11 C10 C6 124.2(4) . . ?
C5 C10 C6 112.4(4) . . ?
C10 C11 C1 117.6(4) . . ?
C10 C11 C9 116.4(3) . . ?
C1 C11 C9 126.0(4) . . ?
C5 C12 C13 104.9(4) . . ?
C5 C12 H12A 110.8 . . ?
C13 C12 H12A 110.8 . . ?
C5 C12 H12B 110.8 . . ?
C13 C12 H12B 110.8 . . ?
H12A C12 H12B 108.8 . . ?
C6 C13 C12 105.1(3) . . ?
C6 C13 H13A 110.7 . . ?
C12 C13 H13A 110.7 . . ?
C6 C13 H13B 110.7 . . ?
C12 C13 H13B 110.7 . . ?
H13A C13 H13B 108.8 . . ?
C15 C14 C16 110.2(4) . . ?
C15 C14 P1 114.2(3) . . ?
C16 C14 P1 110.3(3) . . ?
C15 C14 H14 107.3 . . ?
C16 C14 H14 107.3 . . ?
P1 C14 H14 107.3 . . ?
C14 C15 H15D 109.5 . . ?
C14 C15 H15E 109.5 . . ?
H15D C15 H15E 109.5 . . ?
C14 C15 H15F 109.5 . . ?
H15D C15 H15F 109.5 . . ?
H15E C15 H15F 109.5 . . ?
C14 C16 H16D 109.5 . . ?
C14 C16 H16E 109.5 . . ?
H16D C16 H16E 109.5 . . ?
C14 C16 H16F 109.5 . . ?
H16D C16 H16F 109.5 . . ?
H16E C16 H16F 109.5 . . ?
C18 C17 C19 111.2(4) . . ?
C18 C17 P1 114.9(3) . . ?
C19 C17 P1 109.0(3) . . ?
C18 C17 H17 107.1 . . ?
C19 C17 H17 107.1 . . ?
P1 C17 H17 107.1 . . ?
C17 C18 H18D 109.5 . . ?
C17 C18 H18E 109.5 . . ?
H18D C18 H18E 109.5 . . ?
C17 C18 H18F 109.5 . . ?
H18D C18 H18F 109.5 . . ?
H18E C18 H18F 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
F2 C20 F3 108.7(6) . . ?
F2 C20 F4 108.2(6) . . ?
F3 C20 F4 105.8(5) . . ?
F2 C20 S1 112.5(4) . . ?
F3 C20 S1 110.9(5) . . ?
F4 C20 S1 110.5(4) . . ?
C1' Ge1' C1' 148.9(2) 2_756 . ?
C1' Ge1' Cl1' 105.56(12) 2_756 . ?
C1' Ge1' Cl1' 105.56(12) . . ?
C1' Ge1' P1' 97.06(12) 2_756 . ?
C1' Ge1' P1' 83.04(12) . . ?
Cl1' Ge1' P1' 89.82(4) . . ?
C1' Ge1' P1' 83.04(12) 2_756 2_756 ?
C1' Ge1' P1' 97.06(12) . 2_756 ?
Cl1' Ge1' P1' 89.82(4) . 2_756 ?
P1' Ge1' P1' 179.65(5) . 2_756 ?
C9' P1' C17' 108.21(19) . . ?
C9' P1' C14' 104.3(2) . . ?
C17' P1' C14' 105.7(2) . . ?
C9' P1' Ge1' 92.36(13) . . ?
C17' P1' Ge1' 126.75(14) . . ?
C14' P1' Ge1' 116.12(14) . . ?
C3' C1' C11' 117.8(4) . . ?
C3' C1' Ge1' 124.7(3) . . ?
C11' C1' Ge1' 116.0(3) . . ?
C1' C3' C4' 123.9(4) . . ?
C1' C3' H3' 118.1 . . ?
C4' C3' H3' 118.1 . . ?
C5' C4' C3' 118.9(4) . . ?
C5' C4' H4' 120.6 . . ?
C3' C4' H4' 120.6 . . ?
C4' C5' C10' 118.5(4) . . ?
C4' C5' C12' 132.8(4) . . ?
C10' C5' C12' 108.7(3) . . ?
C7' C6' C10' 118.8(4) . . ?
C7' C6' C13' 132.9(4) . . ?
C10' C6' C13' 108.2(3) . . ?
C6' C7' C8' 119.0(4) . . ?
C6' C7' H7' 120.5 . . ?
C8' C7' H7' 120.5 . . ?
C9' C8' C7' 122.8(4) . . ?
C9' C8' H8' 118.6 . . ?
C7' C8' H8' 118.6 . . ?
C8' C9' C11' 119.1(4) . . ?
C8' C9' P1' 126.2(3) . . ?
C11' C9' P1' 114.6(3) . . ?
C5' C10' C6' 112.6(4) . . ?
C5' C10' C11' 123.6(4) . . ?
C6' C10' C11' 123.8(4) . . ?
C10' C11' C9' 116.4(3) . . ?
C10' C11' C1' 116.8(3) . . ?
C9' C11' C1' 126.7(4) . . ?
C5' C12' C13' 104.4(3) . . ?
C5' C12' H12C 110.9 . . ?
C13' C12' H12C 110.9 . . ?
C5' C12' H12D 110.9 . . ?
C13' C12' H12D 110.9 . . ?
H12C C12' H12D 108.9 . . ?
C6' C13' C12' 104.8(3) . . ?
C6' C13' H13C 110.8 . . ?
C12' C13' H13C 110.8 . . ?
C6' C13' H13D 110.8 . . ?
C12' C13' H13D 110.8 . . ?
H13C C13' H13D 108.9 . . ?
C16' C14' C15' 111.1(4) . . ?
C16' C14' P1' 110.3(3) . . ?
C15' C14' P1' 114.2(3) . . ?
C16' C14' H14' 107.0 . . ?
C15' C14' H14' 107.0 . . ?
P1' C14' H14' 107.0 . . ?
C14' C15' H15A 109.5 . . ?
C14' C15' H15B 109.5 . . ?
H15A C15' H15B 109.5 . . ?
C14' C15' H15C 109.5 . . ?
H15A C15' H15C 109.5 . . ?
H15B C15' H15C 109.5 . . ?
C14' C16' H16A 109.5 . . ?
C14' C16' H16B 109.5 . . ?
H16A C16' H16B 109.5 . . ?
C14' C16' H16C 109.5 . . ?
H16A C16' H16C 109.5 . . ?
H16B C16' H16C 109.5 . . ?
C18' C17' C19' 110.4(4) . . ?
C18' C17' P1' 114.2(3) . . ?
C19' C17' P1' 110.4(3) . . ?
C18' C17' H17' 107.2 . . ?
C19' C17' H17' 107.2 . . ?
P1' C17' H17' 107.2 . . ?
C17' C18' H18A 109.5 . . ?
C17' C18' H18B 109.5 . . ?
H18A C18' H18B 109.5 . . ?
C17' C18' H18C 109.5 . . ?
H18A C18' H18C 109.5 . . ?
H18B C18' H18C 109.5 . . ?
C17' C19' H19D 109.5 . . ?
C17' C19' H19E 109.5 . . ?
H19D C19' H19E 109.5 . . ?
C17' C19' H19F 109.5 . . ?
H19D C19' H19F 109.5 . . ?
H19E C19' H19F 109.5 . . ?
Cl2S C1S Cl1S 111.4(3) . . ?
Cl2S C1S H1SA 109.3 . . ?
Cl1S C1S H1SA 109.3 . . ?
Cl2S C1S H1SB 109.3 . . ?
Cl1S C1S H1SB 109.3 . . ?
H1SA C1S H1SB 108.0 . . ?
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
Cl1 Ge1 2.2280(16) . ?
P1 C9 1.832(4) . ?
P1 C14 1.890(4) . ?
P1 C17 1.892(4) . ?
P1 Ge1 2.6429(12) . ?
C1 C3 1.411(6) . ?
C1 C11 1.463(5) . ?
C1 Ge1 1.988(4) . ?
S1 O2 1.456(4) . ?
S1 O1 1.463(3) . ?
S1 O3 1.465(3) . ?
S1 C20 1.837(7) . ?
Ge1 C1 1.988(4) 2_656 ?
Ge1 P1 2.6429(12) 2_656 ?
F2 C20 1.320(8) . ?
F3 C20 1.361(6) . ?
C3 C4 1.439(6) . ?
C3 H3 0.9500 . ?
F4 C20 1.369(6) . ?
C4 C5 1.397(6) . ?
C4 H4 0.9500 . ?
C5 C10 1.433(6) . ?
C5 C12 1.545(6) . ?
C6 C7 1.395(6) . ?
C6 C10 1.433(5) . ?
C6 C13 1.546(6) . ?
C7 C8 1.434(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.411(5) . ?
C8 H8 0.9500 . ?
C9 C11 1.466(6) . ?
C10 C11 1.425(6) . ?
C12 C13 1.581(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.553(5) . ?
C14 C16 1.557(6) . ?
C14 H14 1.0000 . ?
C15 H15D 0.9800 . ?
C15 H15E 0.9800 . ?
C15 H15F 0.9800 . ?
C16 H16D 0.9800 . ?
C16 H16E 0.9800 . ?
C16 H16F 0.9800 . ?
C17 C18 1.544(6) . ?
C17 C19 1.563(6) . ?
C17 H17 1.0000 . ?
C18 H18D 0.9800 . ?
C18 H18E 0.9800 . ?
C18 H18F 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
Ge1' C1' 1.991(4) 2_756 ?
Ge1' C1' 1.991(4) . ?
Ge1' Cl1' 2.2404(16) . ?
Ge1' P1' 2.6707(11) . ?
Ge1' P1' 2.6708(11) 2_756 ?
P1' C9' 1.829(4) . ?
P1' C17' 1.882(4) . ?
P1' C14' 1.890(4) . ?
C1' C3' 1.404(5) . ?
C1' C11' 1.469(5) . ?
C3' C4' 1.437(6) . ?
C3' H3' 0.9500 . ?
C4' C5' 1.399(6) . ?
C4' H4' 0.9500 . ?
C5' C10' 1.429(5) . ?
C5' C12' 1.537(6) . ?
C6' C7' 1.396(6) . ?
C6' C10' 1.430(5) . ?
C6' C13' 1.538(6) . ?
C7' C8' 1.435(6) . ?
C7' H7' 0.9500 . ?
C8' C9' 1.423(5) . ?
C8' H8' 0.9500 . ?
C9' C11' 1.449(5) . ?
C10' C11' 1.437(6) . ?
C12' C13' 1.585(6) . ?
C12' H12C 0.9900 . ?
C12' H12D 0.9900 . ?
C13' H13C 0.9900 . ?
C13' H13D 0.9900 . ?
C14' C16' 1.551(6) . ?
C14' C15' 1.567(6) . ?
C14' H14' 1.0000 . ?
C15' H15A 0.9800 . ?
C15' H15B 0.9800 . ?
C15' H15C 0.9800 . ?
C16' H16A 0.9800 . ?
C16' H16B 0.9800 . ?
C16' H16C 0.9800 . ?
C17' C18' 1.546(6) . ?
C17' C19' 1.561(6) . ?
C17' H17' 1.0000 . ?
C18' H18A 0.9800 . ?
C18' H18B 0.9800 . ?
C18' H18C 0.9800 . ?
C19' H19D 0.9800 . ?
C19' H19E 0.9800 . ?
C19' H19F 0.9800 . ?
C1S Cl2S 1.748(6) . ?
C1S Cl1S 1.768(6) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
