#------------------------------------------------------------------------------
#$Date: 2024-01-06 09:23:42 +0200 (Sat, 06 Jan 2024) $
#$Revision: 288746 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/03/1570324.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_1570324
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         'C48 H36 F Ge P2, C F3 O3 S [+ solvent]'
_chemical_formula_sum            'C49 H36 F4 Ge O3 P2 S'
_chemical_formula_weight         915.37
_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-2018/3
_audit_update_record
;
2023-04-14 deposited with the CCDC.	2023-11-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.484(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.046(3)
_cell_length_b                   18.494(6)
_cell_length_c                   23.535(8)
_cell_measurement_reflns_used    4434
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      20.5
_cell_measurement_theta_min      2.32
_cell_volume                     4335(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0933
_diffrn_reflns_av_unetI/netI     0.0725
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            40939
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.260
_diffrn_reflns_theta_min         1.745
_exptl_absorpt_coefficient_mu    0.888
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.3261
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.608
_refine_diff_density_min         -0.386
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         7709
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0441
_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)+(0.0465P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1135
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5285
_reflns_number_total             7709
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc03717g2.cif
_cod_data_source_block           platon_sq
_cod_depositor_comments
'Adding full bibliography for 1570312--1570327.cif.'
_cod_original_cell_volume        4335(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1570324
_shelx_shelxl_version_number     2018/3
_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+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 0.46082(3) 0.41758(2) 0.64015(2) 0.02799(12) Uani 1 1 d . . . . .
O1 O 0.4583(3) 0.46640(15) 0.77298(11) 0.0539(8) Uani 1 1 d . . . . .
S1 S 0.36991(11) 0.48749(5) 0.81462(5) 0.0463(3) Uani 1 1 d . . . . .
C1 C 0.5101(3) 0.37844(18) 0.56991(14) 0.0273(8) Uani 1 1 d . . . . .
F1 F 0.58218(19) 0.48848(10) 0.65630(9) 0.0398(5) Uani 1 1 d . . . . .
P1 P 0.58116(8) 0.32515(5) 0.69434(4) 0.0270(2) Uani 1 1 d . . . . .
C4 C 0.5211(4) 0.3703(2) 0.46626(16) 0.0439(10) Uani 1 1 d . . . . .
H4 H 0.495995 0.389451 0.428930 0.053 Uiso 1 1 calc R U . . .
F4 F 0.5828(3) 0.54308(16) 0.87436(12) 0.0877(9) Uani 1 1 d . . . . .
C3 C 0.4757(4) 0.40400(19) 0.51444(15) 0.0362(9) Uani 1 1 d . . . . .
H3 H 0.419766 0.445470 0.508533 0.043 Uiso 1 1 calc R U . . .
F3 F 0.4263(3) 0.51365(17) 0.92484(12) 0.0997(11) Uani 1 1 d . . . . .
O3 O 0.3136(3) 0.55898(15) 0.80695(14) 0.0670(9) Uani 1 1 d . . . . .
P2 P 0.25377(9) 0.29800(5) 0.61409(4) 0.0280(2) Uani 1 1 d . . . . .
O2 O 0.2790(3) 0.43235(14) 0.82847(12) 0.0528(8) Uani 1 1 d . . . . .
F2 F 0.5478(3) 0.43118(16) 0.89273(11) 0.0776(8) Uani 1 1 d . . . . .
C2 C 0.2943(3) 0.46844(17) 0.64051(14) 0.0265(8) Uani 1 1 d . . . . .
C6 C 0.7182(3) 0.22326(19) 0.53220(16) 0.0360(9) Uani 1 1 d . . . . .
C5 C 0.6002(4) 0.3109(2) 0.47365(15) 0.0392(9) Uani 1 1 d . . . . .
C7 C 0.7611(3) 0.1922(2) 0.58436(16) 0.0384(9) Uani 1 1 d . . . . .
H7 H 0.817086 0.150659 0.586873 0.046 Uiso 1 1 calc R U . . .
C8 C 0.7202(3) 0.22332(18) 0.63454(15) 0.0325(8) Uani 1 1 d . . . . .
H8 H 0.750781 0.202371 0.670756 0.039 Uiso 1 1 calc R U . . .
C9 C 0.6372(3) 0.28325(18) 0.63214(14) 0.0288(8) Uani 1 1 d . . . . .
C10 C 0.5938(3) 0.31683(18) 0.57823(14) 0.0259(8) Uani 1 1 d . . . . .
C11 C 0.6365(3) 0.28435(18) 0.52981(15) 0.0312(8) Uani 1 1 d . . . . .
C12 C 0.6627(4) 0.2609(2) 0.43316(17) 0.0570(12) Uani 1 1 d . . . . .
H12A H 0.722228 0.288322 0.410581 0.068 Uiso 1 1 calc R U . . .
H12B H 0.592180 0.236835 0.406416 0.068 Uiso 1 1 calc R U . . .
C13 C 0.7437(4) 0.2048(2) 0.47174(16) 0.0517(11) Uani 1 1 d . . . . .
H13A H 0.712701 0.155157 0.461356 0.062 Uiso 1 1 calc R U . . .
H13B H 0.840594 0.208399 0.468103 0.062 Uiso 1 1 calc R U . . .
C14 C 0.3044(4) 0.53894(18) 0.66091(15) 0.0343(9) Uani 1 1 d . . . . .
H14 H 0.388945 0.555288 0.679171 0.041 Uiso 1 1 calc R U . . .
C15 C 0.1948(4) 0.58760(19) 0.65580(15) 0.0394(9) Uani 1 1 d . . . . .
H15 H 0.204649 0.634905 0.671507 0.047 Uiso 1 1 calc R U . . .
C16 C 0.0750(4) 0.56507(19) 0.62789(15) 0.0337(9) Uani 1 1 d . . . . .
C17 C -0.0672(3) 0.4796(2) 0.57904(15) 0.0372(9) Uani 1 1 d . . . . .
C19 C 0.0005(3) 0.3567(2) 0.57047(14) 0.0342(9) Uani 1 1 d . . . . .
H19 H -0.023481 0.308461 0.559549 0.041 Uiso 1 1 calc R U . . .
C18 C -0.0973(4) 0.4109(2) 0.56028(16) 0.0403(10) Uani 1 1 d . . . . .
H18 H -0.183576 0.399942 0.540557 0.048 Uiso 1 1 calc R U . . .
C20 C 0.1318(3) 0.37029(18) 0.59598(13) 0.0279(8) Uani 1 1 d . . . . .
C21 C 0.1675(3) 0.44228(18) 0.61399(13) 0.0256(8) Uani 1 1 d . . . . .
C22 C 0.0627(3) 0.49404(18) 0.60707(14) 0.0294(8) Uani 1 1 d . . . . .
C23 C -0.0580(4) 0.6027(2) 0.61489(18) 0.0531(11) Uani 1 1 d . . . . .
H23A H -0.048680 0.647838 0.593165 0.064 Uiso 1 1 calc R U . . .
H23B H -0.095244 0.614580 0.650670 0.064 Uiso 1 1 calc R U . . .
C24 C -0.1491(4) 0.5478(2) 0.57842(18) 0.0514(11) Uani 1 1 d . . . . .
H24A H -0.232890 0.539258 0.595385 0.062 Uiso 1 1 calc R U . . .
H24B H -0.172689 0.565818 0.538768 0.062 Uiso 1 1 calc R U . . .
C25 C 0.4916(3) 0.26226(18) 0.73372(14) 0.0278(8) Uani 1 1 d . . . . .
C26 C 0.4245(4) 0.2893(2) 0.77774(17) 0.0457(10) Uani 1 1 d . . . . .
H26 H 0.423527 0.339700 0.785510 0.055 Uiso 1 1 calc R U . . .
C27 C 0.3591(4) 0.2408(2) 0.80985(18) 0.0551(12) Uani 1 1 d . . . . .
H27 H 0.312505 0.258511 0.839612 0.066 Uiso 1 1 calc R U . . .
C28 C 0.3607(4) 0.1679(2) 0.79936(17) 0.0455(10) Uani 1 1 d . . . . .
H28 H 0.317769 0.135572 0.822536 0.055 Uiso 1 1 calc R U . . .
C29 C 0.4241(4) 0.1416(2) 0.75540(16) 0.0404(9) Uani 1 1 d . . . . .
H29 H 0.422442 0.091266 0.747274 0.048 Uiso 1 1 calc R U . . .
C30 C 0.4905(3) 0.18847(19) 0.72302(15) 0.0354(9) Uani 1 1 d . . . . .
H30 H 0.535765 0.169992 0.693124 0.042 Uiso 1 1 calc R U . . .
C31 C 0.7274(3) 0.35696(19) 0.74001(14) 0.0309(8) Uani 1 1 d . . . . .
C32 C 0.8232(4) 0.3971(2) 0.71637(17) 0.0429(10) Uani 1 1 d . . . . .
H32 H 0.810384 0.408181 0.676613 0.051 Uiso 1 1 calc R U . . .
C33 C 0.9370(4) 0.4211(2) 0.75033(18) 0.0475(10) Uani 1 1 d . . . . .
H33 H 1.002444 0.448130 0.733678 0.057 Uiso 1 1 calc R U . . .
C34 C 0.9564(4) 0.4063(2) 0.80769(18) 0.0542(12) Uani 1 1 d . . . . .
H34 H 1.035469 0.422589 0.830691 0.065 Uiso 1 1 calc R U . . .
C35 C 0.8618(4) 0.3678(3) 0.83200(18) 0.0737(16) Uani 1 1 d . . . . .
H35 H 0.874578 0.358225 0.871992 0.088 Uiso 1 1 calc R U . . .
C36 C 0.7471(4) 0.3429(2) 0.79825(16) 0.0534(12) Uani 1 1 d . . . . .
H36 H 0.681991 0.316023 0.815251 0.064 Uiso 1 1 calc R U . . .
C37 C 0.2674(3) 0.24847(18) 0.54783(15) 0.0299(8) Uani 1 1 d . . . . .
C38 C 0.3610(4) 0.19307(19) 0.54985(16) 0.0386(9) Uani 1 1 d . . . . .
H38 H 0.415633 0.183004 0.585005 0.046 Uiso 1 1 calc R U . . .
C39 C 0.3768(4) 0.1519(2) 0.50175(17) 0.0438(10) Uani 1 1 d . . . . .
H39 H 0.440085 0.113482 0.504404 0.053 Uiso 1 1 calc R U . . .
C40 C 0.3003(4) 0.1671(2) 0.45029(18) 0.0507(11) Uani 1 1 d . . . . .
H40 H 0.311440 0.139693 0.417099 0.061 Uiso 1 1 calc R U . . .
C41 C 0.2080(5) 0.2221(2) 0.44718(17) 0.0561(12) Uani 1 1 d . . . . .
H41 H 0.154116 0.231990 0.411799 0.067 Uiso 1 1 calc R U . . .
C42 C 0.1922(4) 0.2636(2) 0.49535(16) 0.0437(10) Uani 1 1 d . . . . .
H42 H 0.129724 0.302373 0.492248 0.052 Uiso 1 1 calc R U . . .
C43 C 0.1575(3) 0.23599(19) 0.65471(14) 0.0309(8) Uani 1 1 d . . . . .
C44 C 0.1031(4) 0.2637(2) 0.70111(17) 0.0424(10) Uani 1 1 d . . . . .
H44 H 0.115857 0.313243 0.710988 0.051 Uiso 1 1 calc R U . . .
C45 C 0.0296(4) 0.2195(3) 0.73352(18) 0.0539(12) Uani 1 1 d . . . . .
H45 H -0.008267 0.239164 0.765091 0.065 Uiso 1 1 calc R U . . .
C46 C 0.0118(4) 0.1481(3) 0.72011(18) 0.0537(12) Uani 1 1 d . . . . .
H46 H -0.038307 0.118171 0.742384 0.064 Uiso 1 1 calc R U . . .
C47 C 0.0664(4) 0.1191(2) 0.67413(19) 0.0603(13) Uani 1 1 d . . . . .
H47 H 0.054187 0.069358 0.664824 0.072 Uiso 1 1 calc R U . . .
C48 C 0.1395(4) 0.1633(2) 0.64155(17) 0.0470(10) Uani 1 1 d . . . . .
H48 H 0.177423 0.143382 0.610064 0.056 Uiso 1 1 calc R U . . .
C49 C 0.4885(5) 0.4941(3) 0.8794(2) 0.0615(13) 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'
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
F1 Ge1 C2 102.08(12) . . ?
F1 Ge1 C1 102.27(11) . . ?
C2 Ge1 C1 120.60(14) . . ?
F1 Ge1 P1 97.35(7) . . ?
C2 Ge1 P1 137.31(10) . . ?
C1 Ge1 P1 91.18(10) . . ?
O2 S1 O3 115.45(18) . . ?
O2 S1 O1 115.07(17) . . ?
O3 S1 O1 115.14(18) . . ?
O2 S1 C49 103.00(19) . . ?
O3 S1 C49 104.3(2) . . ?
O1 S1 C49 101.1(2) . . ?
C3 C1 C10 118.4(3) . . ?
C3 C1 Ge1 128.2(3) . . ?
C10 C1 Ge1 113.5(2) . . ?
C25 P1 C31 109.10(16) . . ?
C25 P1 C9 111.64(16) . . ?
C31 P1 C9 107.87(15) . . ?
C25 P1 Ge1 119.31(11) . . ?
C31 P1 Ge1 113.89(12) . . ?
C9 P1 Ge1 93.68(11) . . ?
C5 C4 C3 119.8(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C1 C3 C4 122.3(3) . . ?
C1 C3 H3 118.8 . . ?
C4 C3 H3 118.8 . . ?
C20 P2 C37 106.86(16) . . ?
C20 P2 C43 101.24(15) . . ?
C37 P2 C43 103.46(16) . . ?
C14 C2 C21 119.4(3) . . ?
C14 C2 Ge1 115.9(2) . . ?
C21 C2 Ge1 124.1(2) . . ?
C7 C6 C11 119.3(3) . . ?
C7 C6 C13 132.3(4) . . ?
C11 C6 C13 108.4(3) . . ?
C4 C5 C11 118.6(3) . . ?
C4 C5 C12 134.2(4) . . ?
C11 C5 C12 107.3(3) . . ?
C6 C7 C8 118.9(3) . . ?
C6 C7 H7 120.6 . . ?
C8 C7 H7 120.6 . . ?
C9 C8 C7 121.9(3) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C8 C9 C10 119.8(3) . . ?
C8 C9 P1 124.0(3) . . ?
C10 C9 P1 116.2(2) . . ?
C11 C10 C1 118.1(3) . . ?
C11 C10 C9 116.4(3) . . ?
C1 C10 C9 125.5(3) . . ?
C6 C11 C10 123.7(3) . . ?
C6 C11 C5 113.5(3) . . ?
C10 C11 C5 122.8(3) . . ?
C5 C12 C13 105.7(3) . . ?
C5 C12 H12A 110.6 . . ?
C13 C12 H12A 110.6 . . ?
C5 C12 H12B 110.6 . . ?
C13 C12 H12B 110.6 . . ?
H12A C12 H12B 108.7 . . ?
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 . . ?
C2 C14 C15 123.1(3) . . ?
C2 C14 H14 118.4 . . ?
C15 C14 H14 118.4 . . ?
C16 C15 C14 118.4(3) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
C15 C16 C22 119.3(3) . . ?
C15 C16 C23 131.6(3) . . ?
C22 C16 C23 109.1(3) . . ?
C18 C17 C22 118.7(3) . . ?
C18 C17 C24 132.7(3) . . ?
C22 C17 C24 108.5(3) . . ?
C20 C19 C18 123.0(3) . . ?
C20 C19 H19 118.5 . . ?
C18 C19 H19 118.5 . . ?
C17 C18 C19 119.3(3) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C19 C20 C21 118.8(3) . . ?
C19 C20 P2 122.3(3) . . ?
C21 C20 P2 118.6(2) . . ?
C22 C21 C2 115.4(3) . . ?
C22 C21 C20 116.2(3) . . ?
C2 C21 C20 128.4(3) . . ?
C16 C22 C17 112.1(3) . . ?
C16 C22 C21 124.2(3) . . ?
C17 C22 C21 123.7(3) . . ?
C16 C23 C24 104.8(3) . . ?
C16 C23 H23A 110.8 . . ?
C24 C23 H23A 110.8 . . ?
C16 C23 H23B 110.8 . . ?
C24 C23 H23B 110.8 . . ?
H23A C23 H23B 108.9 . . ?
C17 C24 C23 105.1(3) . . ?
C17 C24 H24A 110.7 . . ?
C23 C24 H24A 110.7 . . ?
C17 C24 H24B 110.7 . . ?
C23 C24 H24B 110.7 . . ?
H24A C24 H24B 108.8 . . ?
C30 C25 C26 119.5(3) . . ?
C30 C25 P1 122.4(3) . . ?
C26 C25 P1 118.1(3) . . ?
C27 C26 C25 118.6(4) . . ?
C27 C26 H26 120.7 . . ?
C25 C26 H26 120.7 . . ?
C28 C27 C26 121.3(4) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C27 C28 C29 120.1(4) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C28 C29 C30 119.8(4) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C29 C30 C25 120.7(3) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
C36 C31 C32 118.7(3) . . ?
C36 C31 P1 122.0(3) . . ?
C32 C31 P1 119.3(3) . . ?
C33 C32 C31 120.3(4) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C34 C33 C32 120.6(4) . . ?
C34 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
C33 C34 C35 119.9(4) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 C36 120.1(4) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C31 C36 C35 120.3(4) . . ?
C31 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C38 C37 C42 117.8(3) . . ?
C38 C37 P2 117.8(3) . . ?
C42 C37 P2 124.4(3) . . ?
C37 C38 C39 121.7(4) . . ?
C37 C38 H38 119.1 . . ?
C39 C38 H38 119.1 . . ?
C40 C39 C38 119.6(4) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C41 C40 C39 119.6(4) . . ?
C41 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
C40 C41 C42 120.8(4) . . ?
C40 C41 H41 119.6 . . ?
C42 C41 H41 119.6 . . ?
C37 C42 C41 120.4(4) . . ?
C37 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C44 C43 C48 118.9(3) . . ?
C44 C43 P2 117.8(3) . . ?
C48 C43 P2 123.3(3) . . ?
C43 C44 C45 120.5(4) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C46 C45 C44 120.3(4) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C45 C46 C47 120.2(4) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C46 C47 C48 119.7(4) . . ?
C46 C47 H47 120.2 . . ?
C48 C47 H47 120.2 . . ?
C43 C48 C47 120.5(4) . . ?
C43 C48 H48 119.7 . . ?
C47 C48 H48 119.7 . . ?
F2 C49 F4 108.4(4) . . ?
F2 C49 F3 106.7(4) . . ?
F4 C49 F3 107.3(4) . . ?
F2 C49 S1 111.4(3) . . ?
F4 C49 S1 111.7(3) . . ?
F3 C49 S1 111.2(3) . . ?
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 F1 1.797(2) . ?
Ge1 C2 1.920(3) . ?
Ge1 C1 1.927(3) . ?
Ge1 P1 2.3683(11) . ?
O1 S1 1.459(3) . ?
S1 O2 1.434(3) . ?
S1 O3 1.440(3) . ?
S1 C49 1.813(5) . ?
C1 C3 1.389(5) . ?
C1 C10 1.415(4) . ?
P1 C25 1.800(3) . ?
P1 C31 1.802(3) . ?
P1 C9 1.810(3) . ?
C4 C5 1.354(5) . ?
C4 C3 1.420(5) . ?
C4 H4 0.9500 . ?
F4 C49 1.327(5) . ?
C3 H3 0.9500 . ?
F3 C49 1.355(5) . ?
P2 C20 1.826(3) . ?
P2 C37 1.829(3) . ?
P2 C43 1.845(3) . ?
F2 C49 1.327(5) . ?
C2 C14 1.388(4) . ?
C2 C21 1.428(4) . ?
C6 C7 1.373(5) . ?
C6 C11 1.394(5) . ?
C6 C13 1.517(5) . ?
C5 C11 1.413(5) . ?
C5 C12 1.522(5) . ?
C7 C8 1.421(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.384(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.429(5) . ?
C10 C11 1.403(4) . ?
C12 C13 1.540(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.415(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.359(5) . ?
C15 H15 0.9500 . ?
C16 C22 1.402(5) . ?
C16 C23 1.502(5) . ?
C17 C18 1.366(5) . ?
C17 C22 1.409(5) . ?
C17 C24 1.506(5) . ?
C19 C20 1.399(5) . ?
C19 C18 1.403(5) . ?
C19 H19 0.9500 . ?
C18 H18 0.9500 . ?
C20 C21 1.429(5) . ?
C21 C22 1.417(4) . ?
C23 C24 1.549(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C30 1.387(5) . ?
C25 C26 1.400(4) . ?
C26 C27 1.392(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.370(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.373(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.381(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.384(5) . ?
C31 C32 1.389(5) . ?
C32 C33 1.380(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.366(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.371(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.390(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.387(5) . ?
C37 C42 1.390(5) . ?
C38 C39 1.391(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.376(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.372(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.395(5) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.382(5) . ?
C43 C48 1.387(5) . ?
C44 C45 1.394(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.364(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.384(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.393(5) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
