# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 2416600'
loop_
_audit_author_name
_audit_author_address
'Moumita Majumdar'
;Indian Institute of Science Education and Research, Pune
India
;
_audit_update_record             
;
2025-01-13 deposited with the CCDC.	2025-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H46 Cl2 F6 Ge O8 P2 S2'
_chemical_formula_weight         1026.31

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   11.237(4)
_cell_length_b                   13.727(5)
_cell_length_c                   15.396(5)
_cell_angle_alpha                86.231(8)
_cell_angle_beta                 72.039(8)
_cell_angle_gamma                80.057(8)
_cell_volume                     2225.1(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9323
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      25.20

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_F_000             1052
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    1.049
_shelx_estimated_absorpt_T_min   0.902
_shelx_estimated_absorpt_T_max   0.949
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_max  0.949
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Smart Apex'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17291
_diffrn_reflns_av_unetI/netI     0.0649
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.009
_diffrn_reflns_theta_max         25.204
_diffrn_reflns_theta_full        25.204
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.973
_reflns_number_total             7824
_reflns_number_gt                6078
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0615P)²+1.6390P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7824
_refine_ls_number_parameters     724
_refine_ls_number_restraints     712
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0484
_refine_ls_wR_factor_ref         0.1312
_refine_ls_wR_factor_gt          0.1206
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C39 C 0.1425(7) 0.2108(7) 0.9724(5) 0.091(3) Uani 0.781(7) 1 d D U P A 1
H39A H 0.209575 0.192277 1.002513 0.109 Uiso 0.781(7) 1 calc R U P A 1
H39B H 0.184579 0.221140 0.906607 0.109 Uiso 0.781(7) 1 calc R U P A 1
Cl1 Cl 0.0521(4) 0.3180(4) 1.0167(3) 0.1259(17) Uani 0.781(7) 1 d D U P A 1
Cl2 Cl 0.0549(4) 0.1108(4) 0.98570(18) 0.1109(14) Uani 0.781(7) 1 d D U P A 1
C39B C 0.027(4) 0.280(2) 1.060(2) 0.099(5) Uani 0.219(7) 1 d D U P A -2
H39C H 0.103148 0.265152 1.081481 0.119 Uiso 0.219(7) 1 calc R U P A -2
H39D H -0.046829 0.292819 1.115728 0.119 Uiso 0.219(7) 1 calc R U P A -2
Cl1B Cl 0.0367(10) 0.3903(14) 1.0004(9) 0.123(4) Uani 0.219(7) 1 d D U P A -2
Cl2B Cl 0.0147(13) 0.1742(15) 1.0140(12) 0.139(5) Uani 0.219(7) 1 d D U P A -2
O3 O 0.1019(11) 0.2166(8) 0.7554(6) 0.043(2) Uani 0.723(2) 1 d D U P B 1
O4 O 0.2719(10) 0.1884(7) 0.6142(6) 0.040(2) Uani 0.723(2) 1 d D U P B 1
O5 O 0.3190(4) 0.2231(3) 0.7512(3) 0.0442(11) Uani 0.723(2) 1 d D U P B 1
S1 S 0.22576(16) 0.23276(11) 0.70305(10) 0.0283(4) Uani 0.723(2) 1 d D U P B 1
C37 C 0.2060(6) 0.3637(4) 0.6743(4) 0.0330(12) Uani 0.723(2) 1 d D U P B 1
F1 F 0.1638(9) 0.4200(6) 0.7477(4) 0.0426(16) Uani 0.723(2) 1 d D U P B 1
F2 F 0.1242(4) 0.3859(3) 0.6264(3) 0.0468(12) Uani 0.723(2) 1 d D U P B 1
F3 F 0.3185(8) 0.3877(5) 0.6236(5) 0.053(2) Uani 0.723(2) 1 d D U P B 1
O3B O 0.098(4) 0.225(3) 0.7720(16) 0.033(5) Uani 0.198(2) 1 d D U P C 2
O4B O 0.267(3) 0.188(2) 0.634(2) 0.032(5) Uani 0.198(2) 1 d D U P C 2
O5B O 0.0877(14) 0.3176(10) 0.6343(10) 0.033(3) Uani 0.198(2) 1 d D U P C 2
S1B S 0.1653(6) 0.2603(4) 0.6841(4) 0.0296(12) Uani 0.198(2) 1 d D U P C 2
C37B C 0.2456(15) 0.3509(11) 0.7125(12) 0.036(2) Uani 0.198(2) 1 d D U P C 2
F1B F 0.160(3) 0.416(2) 0.7701(18) 0.040(5) Uani 0.198(2) 1 d D U P C 2
F2B F 0.3309(12) 0.3078(9) 0.7523(9) 0.044(3) Uani 0.198(2) 1 d D U P C 2
F3B F 0.301(3) 0.4085(17) 0.6423(15) 0.039(4) Uani 0.198(2) 1 d D U P C 2
O3C O 0.335(4) 0.365(4) 0.625(3) 0.041(6) Uani 0.0790(19) 1 d D U P D 3
O4C O 0.279(6) 0.2038(19) 0.630(3) 0.031(6) Uani 0.0790(19) 1 d D U P D 3
O5C O 0.122(3) 0.348(3) 0.624(3) 0.034(6) Uani 0.0790(19) 1 d D U P D 3
S1C S 0.2342(13) 0.3073(10) 0.6486(9) 0.034(2) Uani 0.0790(19) 1 d D U P D 3
C37C C 0.181(2) 0.3096(18) 0.7720(13) 0.035(3) Uani 0.0790(19) 1 d D U P D 3
F1C F 0.130(3) 0.4002(17) 0.803(2) 0.040(5) Uani 0.0790(19) 1 d D U P D 3
F2C F 0.278(2) 0.275(2) 0.8028(19) 0.042(5) Uani 0.0790(19) 1 d D U P D 3
F3C F 0.090(3) 0.253(2) 0.8067(19) 0.035(5) Uani 0.0790(19) 1 d D U P D 3
O6 O 0.6005(3) 0.8071(2) 0.95381(19) 0.0432(8) Uani 1 1 d D . . . .
O7 O 0.6923(3) 0.8254(2) 0.7911(2) 0.0457(8) Uani 1 1 d D . . . .
O8 O 0.4703(3) 0.8075(3) 0.8550(2) 0.0598(10) Uani 1 1 d D . . . .
S2 S 0.59533(10) 0.79010(7) 0.86471(7) 0.0315(2) Uani 1 1 d D . . . .
C38 C 0.6378(4) 0.6570(3) 0.8536(3) 0.0334(10) Uani 1 1 d D . . . .
F4 F 0.5552(3) 0.60895(17) 0.91490(16) 0.0475(7) Uani 1 1 d D . . . .
F5 F 0.6436(3) 0.62778(19) 0.77175(16) 0.0500(7) Uani 1 1 d D . . . .
F6 F 0.7521(3) 0.62575(18) 0.86452(19) 0.0526(7) Uani 1 1 d D . . . .
Ge1 Ge 0.73790(3) 0.27821(3) 0.58632(2) 0.01980(12) Uani 1 1 d . . . . .
P1 P 1.00013(8) 0.23927(6) 0.44520(6) 0.0196(2) Uani 1 1 d . . . . .
P2 P 0.67933(8) 0.24216(6) 0.79097(6) 0.0192(2) Uani 1 1 d . . . . .
O1 O 0.8974(2) 0.29823(17) 0.52671(16) 0.0223(5) Uani 1 1 d . . . . .
O2 O 0.7484(2) 0.21191(17) 0.68897(16) 0.0238(6) Uani 1 1 d . . . . .
C1 C 0.6040(4) 0.0412(3) 0.3117(3) 0.0291(9) Uani 1 1 d . . . . .
H1A H 0.535160 0.078714 0.289615 0.035 Uiso 1 1 calc R U . . .
H1B H 0.584454 -0.025973 0.330679 0.035 Uiso 1 1 calc R U . . .
C2 C 0.6189(3) 0.0938(2) 0.3900(2) 0.0229(8) Uani 1 1 d . . . . .
C3 C 0.5357(3) 0.1245(3) 0.4719(3) 0.0261(8) Uani 1 1 d . . . . .
H3 H 0.451271 0.111156 0.489645 0.031 Uiso 1 1 calc R U . . .
C4 C 0.5776(3) 0.1764(3) 0.5297(2) 0.0230(8) Uani 1 1 d . . . . .
H4 H 0.519056 0.199148 0.586352 0.028 Uiso 1 1 calc R U . . .
C5 C 0.7007(3) 0.1957(2) 0.5074(2) 0.0200(8) Uani 1 1 d . . . . .
C6 C 0.9221(3) 0.1755(2) 0.3870(2) 0.0192(7) Uani 1 1 d . . . . .
C7 C 0.9922(3) 0.1413(3) 0.3002(2) 0.0253(8) Uani 1 1 d . . . . .
H7 H 1.078363 0.150444 0.277228 0.030 Uiso 1 1 calc R U . . .
C8 C 0.9417(4) 0.0942(3) 0.2454(3) 0.0261(8) Uani 1 1 d . . . . .
H8 H 0.992436 0.072038 0.186270 0.031 Uiso 1 1 calc R U . . .
C9 C 0.8167(4) 0.0804(2) 0.2785(2) 0.0233(8) Uani 1 1 d . . . . .
C10 C 0.7333(4) 0.0361(3) 0.2367(3) 0.0298(9) Uani 1 1 d . . . . .
H10A H 0.769864 -0.033241 0.219009 0.036 Uiso 1 1 calc R U . . .
H10B H 0.723691 0.074486 0.181813 0.036 Uiso 1 1 calc R U . . .
C11 C 0.7455(3) 0.1129(2) 0.3661(2) 0.0201(8) Uani 1 1 d . . . . .
C12 C 0.7917(3) 0.1623(2) 0.4231(2) 0.0184(7) Uani 1 1 d . . . . .
C13 C 0.3488(4) 0.6522(3) 0.7238(3) 0.0337(9) Uani 1 1 d . . . . .
H13A H 0.285150 0.667974 0.690479 0.040 Uiso 1 1 calc R U . . .
H13B H 0.383521 0.712874 0.727302 0.040 Uiso 1 1 calc R U . . .
C14 C 0.4530(3) 0.5711(3) 0.6769(2) 0.0242(8) Uani 1 1 d . . . . .
C15 C 0.5346(4) 0.5632(3) 0.5906(2) 0.0249(8) Uani 1 1 d . . . . .
H15 H 0.532564 0.615862 0.547569 0.030 Uiso 1 1 calc R U . . .
C16 C 0.6219(3) 0.4758(3) 0.5663(2) 0.0236(8) Uani 1 1 d . . . . .
H16 H 0.675303 0.468541 0.505020 0.028 Uiso 1 1 calc R U . . .
C17 C 0.6330(3) 0.3995(2) 0.6284(2) 0.0206(8) Uani 1 1 d . . . . .
C18 C 0.5509(3) 0.3394(3) 0.7947(2) 0.0236(8) Uani 1 1 d . . . . .
C19 C 0.4575(4) 0.3580(3) 0.8771(3) 0.0288(9) Uani 1 1 d . . . . .
H19 H 0.455813 0.310897 0.925310 0.035 Uiso 1 1 calc R U . . .
C20 C 0.3644(4) 0.4433(3) 0.8930(3) 0.0334(9) Uani 1 1 d . . . . .
H20 H 0.300019 0.452518 0.950101 0.040 Uiso 1 1 calc R U . . .
C21 C 0.3687(4) 0.5123(3) 0.8250(3) 0.0274(8) Uani 1 1 d . . . . .
C22 C 0.2886(4) 0.6113(3) 0.8205(3) 0.0396(10) Uani 1 1 d . . . . .
H22A H 0.290721 0.655855 0.867869 0.047 Uiso 1 1 calc R U . . .
H22B H 0.199523 0.603814 0.829397 0.047 Uiso 1 1 calc R U . . .
C23 C 0.4619(3) 0.4931(3) 0.7398(2) 0.0235(8) Uani 1 1 d . . . . .
C24 C 0.5522(3) 0.4080(2) 0.7204(2) 0.0185(7) Uani 1 1 d . . . . .
C25 C 1.1088(3) 0.1581(3) 0.4924(2) 0.0240(8) Uani 1 1 d . . . . .
H25 H 1.153850 0.200936 0.517287 0.029 Uiso 1 1 calc R U . . .
C26 C 1.0358(4) 0.0995(3) 0.5726(3) 0.0294(9) Uani 1 1 d . . . . .
H26A H 0.985818 0.144634 0.622219 0.044 Uiso 1 1 calc R U . . .
H26B H 1.095536 0.050833 0.594169 0.044 Uiso 1 1 calc R U . . .
H26C H 0.978953 0.065192 0.553070 0.044 Uiso 1 1 calc R U . . .
C27 C 1.2105(4) 0.0917(3) 0.4204(3) 0.0304(9) Uani 1 1 d . . . . .
H27A H 1.169953 0.047822 0.394936 0.046 Uiso 1 1 calc R U . . .
H27B H 1.269977 0.051981 0.448897 0.046 Uiso 1 1 calc R U . . .
H27C H 1.256415 0.132975 0.371435 0.046 Uiso 1 1 calc R U . . .
C28 C 1.0799(4) 0.3287(3) 0.3681(3) 0.0261(8) Uani 1 1 d . . . . .
H28 H 1.149322 0.291590 0.318368 0.031 Uiso 1 1 calc R U . . .
C29 C 1.1406(4) 0.3896(3) 0.4173(3) 0.0391(11) Uani 1 1 d . . . . .
H29A H 1.074687 0.425031 0.467844 0.059 Uiso 1 1 calc R U . . .
H29B H 1.184002 0.437393 0.374288 0.059 Uiso 1 1 calc R U . . .
H29C H 1.201921 0.345556 0.441211 0.059 Uiso 1 1 calc R U . . .
C30 C 0.9882(4) 0.3924(3) 0.3245(3) 0.0498(13) Uani 1 1 d . . . . .
H30A H 0.957333 0.350406 0.289815 0.075 Uiso 1 1 calc R U . . .
H30B H 1.031798 0.441355 0.283246 0.075 Uiso 1 1 calc R U . . .
H30C H 0.916295 0.426505 0.372230 0.075 Uiso 1 1 calc R U . . .
C31 C 0.7927(3) 0.2863(3) 0.8334(2) 0.0235(8) Uani 1 1 d . . . . .
H31 H 0.868919 0.233597 0.822835 0.028 Uiso 1 1 calc R U . . .
C32 C 0.7404(4) 0.3047(3) 0.9359(3) 0.0396(11) Uani 1 1 d . . . . .
H32A H 0.666673 0.357423 0.948217 0.059 Uiso 1 1 calc R U . . .
H32B H 0.805950 0.324496 0.957600 0.059 Uiso 1 1 calc R U . . .
H32C H 0.714992 0.243919 0.967848 0.059 Uiso 1 1 calc R U . . .
C33 C 0.8352(4) 0.3791(3) 0.7810(3) 0.0361(10) Uani 1 1 d . . . . .
H33A H 0.871117 0.364498 0.715757 0.054 Uiso 1 1 calc R U . . .
H33B H 0.899470 0.399959 0.803327 0.054 Uiso 1 1 calc R U . . .
H33C H 0.762133 0.432203 0.790299 0.054 Uiso 1 1 calc R U . . .
C34 C 0.6292(3) 0.1335(3) 0.8524(3) 0.0246(8) Uani 1 1 d . . . . .
H34 H 0.579253 0.152760 0.916518 0.030 Uiso 1 1 calc R U . . .
C35 C 0.7453(4) 0.0581(3) 0.8555(3) 0.0367(10) Uani 1 1 d . . . . .
H35A H 0.800403 0.043556 0.793202 0.055 Uiso 1 1 calc R U . . .
H35B H 0.717868 -0.002931 0.885559 0.055 Uiso 1 1 calc R U . . .
H35C H 0.792068 0.085324 0.889885 0.055 Uiso 1 1 calc R U . . .
C36 C 0.5433(4) 0.0900(3) 0.8101(3) 0.0443(12) Uani 1 1 d . . . . .
H36A H 0.472893 0.141382 0.805786 0.066 Uiso 1 1 calc R U . . .
H36B H 0.509652 0.035212 0.848508 0.066 Uiso 1 1 calc R U . . .
H36C H 0.592328 0.065687 0.748903 0.066 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C39 Cl1 1.689(10) . ?
C39 Cl2 1.790(9) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39B Cl2B 1.71(2) . ?
C39B Cl1B 1.72(2) . ?
C39B H39C 0.9900 . ?
C39B H39D 0.9900 . ?
O3 S1 1.424(8) . ?
O4 S1 1.440(7) . ?
O5 S1 1.442(4) . ?
S1 C37 1.815(6) . ?
C37 F1 1.325(8) . ?
C37 F2 1.333(6) . ?
C37 F3 1.348(8) . ?
O3B S1B 1.434(15) . ?
O4B S1B 1.439(15) . ?
O5B S1B 1.436(11) . ?
S1B C37B 1.805(12) . ?
C37B F2B 1.328(14) . ?
C37B F1B 1.337(15) . ?
C37B F3B 1.348(15) . ?
O3C S1C 1.432(16) . ?
O4C S1C 1.440(16) . ?
O5C S1C 1.437(16) . ?
S1C C37C 1.808(15) . ?
C37C F2C 1.328(16) . ?
C37C F1C 1.328(16) . ?
C37C F3C 1.346(16) . ?
O6 S2 1.427(3) . ?
O7 S2 1.434(3) . ?
O8 S2 1.436(3) . ?
S2 C38 1.812(4) . ?
C38 F5 1.326(4) . ?
C38 F4 1.333(4) . ?
C38 F6 1.340(5) . ?
Ge1 O2 1.797(2) . ?
Ge1 O1 1.803(2) . ?
Ge1 C17 1.891(4) . ?
Ge1 C5 1.895(3) . ?
P1 O1 1.575(3) . ?
P1 C6 1.786(3) . ?
P1 C25 1.798(4) . ?
P1 C28 1.803(3) . ?
P2 O2 1.570(3) . ?
P2 C18 1.778(4) . ?
P2 C34 1.793(3) . ?
P2 C31 1.802(3) . ?
C1 C2 1.511(5) . ?
C1 C10 1.546(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.359(5) . ?
C2 C11 1.421(5) . ?
C3 C4 1.406(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(5) . ?
C4 H4 0.9500 . ?
C5 C12 1.428(5) . ?
C6 C7 1.389(5) . ?
C6 C12 1.437(5) . ?
C7 C8 1.396(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.381(5) . ?
C8 H8 0.9500 . ?
C9 C11 1.396(5) . ?
C9 C10 1.511(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.407(4) . ?
C13 C14 1.506(5) . ?
C13 C22 1.546(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.361(5) . ?
C14 C23 1.408(5) . ?
C15 C16 1.403(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(5) . ?
C16 H16 0.9500 . ?
C17 C24 1.427(5) . ?
C18 C19 1.381(5) . ?
C18 C24 1.431(5) . ?
C19 C20 1.408(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.361(5) . ?
C20 H20 0.9500 . ?
C21 C23 1.411(5) . ?
C21 C22 1.505(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.390(5) . ?
C25 C26 1.523(5) . ?
C25 C27 1.535(5) . ?
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 1.523(6) . ?
C28 C29 1.529(5) . ?
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 C32 1.526(5) . ?
C31 C33 1.529(5) . ?
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 C35 1.531(5) . ?
C34 C36 1.533(5) . ?
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 . ?

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
Cl1 C39 Cl2 113.5(5) . . ?
Cl1 C39 H39A 108.9 . . ?
Cl2 C39 H39A 108.9 . . ?
Cl1 C39 H39B 108.9 . . ?
Cl2 C39 H39B 108.9 . . ?
H39A C39 H39B 107.7 . . ?
Cl2B C39B Cl1B 122.7(18) . . ?
Cl2B C39B H39C 106.7 . . ?
Cl1B C39B H39C 106.7 . . ?
Cl2B C39B H39D 106.7 . . ?
Cl1B C39B H39D 106.7 . . ?
H39C C39B H39D 106.6 . . ?
O3 S1 O4 114.7(7) . . ?
O3 S1 O5 116.5(5) . . ?
O4 S1 O5 114.2(5) . . ?
O3 S1 C37 104.2(5) . . ?
O4 S1 C37 101.9(5) . . ?
O5 S1 C37 102.6(2) . . ?
F1 C37 F2 107.7(6) . . ?
F1 C37 F3 107.8(7) . . ?
F2 C37 F3 108.4(6) . . ?
F1 C37 S1 112.4(5) . . ?
F2 C37 S1 110.9(4) . . ?
F3 C37 S1 109.5(5) . . ?
O3B S1B O5B 115.2(18) . . ?
O3B S1B O4B 113.0(19) . . ?
O5B S1B O4B 116.9(16) . . ?
O3B S1B C37B 102.7(16) . . ?
O5B S1B C37B 102.9(8) . . ?
O4B S1B C37B 103.6(16) . . ?
F2B C37B F1B 109.2(18) . . ?
F2B C37B F3B 109.6(16) . . ?
F1B C37B F3B 103.2(17) . . ?
F2B C37B S1B 110.6(10) . . ?
F1B C37B S1B 108.7(17) . . ?
F3B C37B S1B 115.3(14) . . ?
O3C S1C O5C 117(2) . . ?
O3C S1C O4C 113(2) . . ?
O5C S1C O4C 115(2) . . ?
O3C S1C C37C 103(2) . . ?
O5C S1C C37C 103.6(17) . . ?
O4C S1C C37C 102.8(19) . . ?
F2C C37C F1C 111(2) . . ?
F2C C37C F3C 108(2) . . ?
F1C C37C F3C 106(2) . . ?
F2C C37C S1C 109.0(16) . . ?
F1C C37C S1C 111.5(17) . . ?
F3C C37C S1C 111.3(17) . . ?
O6 S2 O7 114.94(19) . . ?
O6 S2 O8 114.9(2) . . ?
O7 S2 O8 115.9(2) . . ?
O6 S2 C38 103.45(18) . . ?
O7 S2 C38 102.64(18) . . ?
O8 S2 C38 102.2(2) . . ?
F5 C38 F4 107.1(3) . . ?
F5 C38 F6 106.8(3) . . ?
F4 C38 F6 107.4(3) . . ?
F5 C38 S2 111.8(3) . . ?
F4 C38 S2 112.4(3) . . ?
F6 C38 S2 111.0(2) . . ?
O2 Ge1 O1 105.07(11) . . ?
O2 Ge1 C17 104.10(13) . . ?
O1 Ge1 C17 110.40(12) . . ?
O2 Ge1 C5 110.40(12) . . ?
O1 Ge1 C5 103.92(13) . . ?
C17 Ge1 C5 121.90(14) . . ?
O1 P1 C6 108.87(15) . . ?
O1 P1 C25 107.38(16) . . ?
C6 P1 C25 113.34(16) . . ?
O1 P1 C28 107.27(16) . . ?
C6 P1 C28 109.01(16) . . ?
C25 P1 C28 110.76(17) . . ?
O2 P2 C18 108.99(15) . . ?
O2 P2 C34 107.27(16) . . ?
C18 P2 C34 112.82(17) . . ?
O2 P2 C31 107.30(15) . . ?
C18 P2 C31 109.25(17) . . ?
C34 P2 C31 111.02(16) . . ?
P1 O1 Ge1 129.55(13) . . ?
P2 O2 Ge1 128.91(15) . . ?
C2 C1 C10 104.9(3) . . ?
C2 C1 H1A 110.8 . . ?
C10 C1 H1A 110.8 . . ?
C2 C1 H1B 110.8 . . ?
C10 C1 H1B 110.8 . . ?
H1A C1 H1B 108.8 . . ?
C3 C2 C11 119.5(3) . . ?
C3 C2 C1 132.0(3) . . ?
C11 C2 C1 108.6(3) . . ?
C2 C3 C4 118.5(3) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C5 C4 C3 122.8(3) . . ?
C5 C4 H4 118.6 . . ?
C3 C4 H4 118.6 . . ?
C4 C5 C12 120.3(3) . . ?
C4 C5 Ge1 117.7(3) . . ?
C12 C5 Ge1 121.7(2) . . ?
C7 C6 C12 119.4(3) . . ?
C7 C6 P1 116.8(3) . . ?
C12 C6 P1 123.8(3) . . ?
C6 C7 C8 122.9(3) . . ?
C6 C7 H7 118.5 . . ?
C8 C7 H7 118.5 . . ?
C9 C8 C7 118.9(3) . . ?
C9 C8 H8 120.6 . . ?
C7 C8 H8 120.6 . . ?
C8 C9 C11 118.9(3) . . ?
C8 C9 C10 132.2(3) . . ?
C11 C9 C10 108.9(3) . . ?
C9 C10 C1 105.4(3) . . ?
C9 C10 H10A 110.7 . . ?
C1 C10 H10A 110.7 . . ?
C9 C10 H10B 110.7 . . ?
C1 C10 H10B 110.7 . . ?
H10A C10 H10B 108.8 . . ?
C9 C11 C12 124.1(3) . . ?
C9 C11 C2 112.1(3) . . ?
C12 C11 C2 123.7(3) . . ?
C11 C12 C5 115.2(3) . . ?
C11 C12 C6 115.7(3) . . ?
C5 C12 C6 129.0(3) . . ?
C14 C13 C22 105.5(3) . . ?
C14 C13 H13A 110.6 . . ?
C22 C13 H13A 110.6 . . ?
C14 C13 H13B 110.6 . . ?
C22 C13 H13B 110.6 . . ?
H13A C13 H13B 108.8 . . ?
C15 C14 C23 119.1(3) . . ?
C15 C14 C13 132.2(3) . . ?
C23 C14 C13 108.8(3) . . ?
C14 C15 C16 118.7(3) . . ?
C14 C15 H15 120.6 . . ?
C16 C15 H15 120.6 . . ?
C17 C16 C15 122.4(3) . . ?
C17 C16 H16 118.8 . . ?
C15 C16 H16 118.8 . . ?
C16 C17 C24 119.8(3) . . ?
C16 C17 Ge1 119.3(3) . . ?
C24 C17 Ge1 120.3(2) . . ?
C19 C18 C24 119.1(3) . . ?
C19 C18 P2 118.0(3) . . ?
C24 C18 P2 122.1(3) . . ?
C18 C19 C20 123.2(3) . . ?
C18 C19 H19 118.4 . . ?
C20 C19 H19 118.4 . . ?
C21 C20 C19 118.6(4) . . ?
C21 C20 H20 120.7 . . ?
C19 C20 H20 120.7 . . ?
C20 C21 C23 118.7(4) . . ?
C20 C21 C22 132.1(4) . . ?
C23 C21 C22 109.3(3) . . ?
C21 C22 C13 104.7(3) . . ?
C21 C22 H22A 110.8 . . ?
C13 C22 H22A 110.8 . . ?
C21 C22 H22B 110.8 . . ?
C13 C22 H22B 110.8 . . ?
H22A C22 H22B 108.9 . . ?
C24 C23 C14 124.1(3) . . ?
C24 C23 C21 124.3(3) . . ?
C14 C23 C21 111.6(3) . . ?
C23 C24 C17 115.7(3) . . ?
C23 C24 C18 116.0(3) . . ?
C17 C24 C18 128.3(3) . . ?
C26 C25 C27 112.7(3) . . ?
C26 C25 P1 109.9(3) . . ?
C27 C25 P1 112.8(3) . . ?
C26 C25 H25 107.0 . . ?
C27 C25 H25 107.0 . . ?
P1 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 112.8(3) . . ?
C30 C28 P1 109.9(3) . . ?
C29 C28 P1 110.6(3) . . ?
C30 C28 H28 107.8 . . ?
C29 C28 H28 107.8 . . ?
P1 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 . . ?
C32 C31 C33 111.2(3) . . ?
C32 C31 P2 111.4(2) . . ?
C33 C31 P2 110.9(3) . . ?
C32 C31 H31 107.7 . . ?
C33 C31 H31 107.7 . . ?
P2 C31 H31 107.7 . . ?
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 . . ?
C35 C34 C36 111.8(3) . . ?
C35 C34 P2 109.6(3) . . ?
C36 C34 P2 110.9(3) . . ?
C35 C34 H34 108.1 . . ?
C36 C34 H34 108.1 . . ?
P2 C34 H34 108.1 . . ?
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 . . ?

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
O3 S1 C37 F1 60.6(8) . . . . ?
O4 S1 C37 F1 -179.7(7) . . . . ?
O5 S1 C37 F1 -61.2(6) . . . . ?
O3 S1 C37 F2 -59.9(6) . . . . ?
O4 S1 C37 F2 59.7(7) . . . . ?
O5 S1 C37 F2 178.2(4) . . . . ?
O3 S1 C37 F3 -179.6(7) . . . . ?
O4 S1 C37 F3 -59.9(7) . . . . ?
O5 S1 C37 F3 58.6(6) . . . . ?
O3B S1B C37B F2B 66(2) . . . . ?
O5B S1B C37B F2B -174.4(13) . . . . ?
O4B S1B C37B F2B -52(2) . . . . ?
O3B S1B C37B F1B -54(2) . . . . ?
O5B S1B C37B F1B 65.9(18) . . . . ?
O4B S1B C37B F1B -172(2) . . . . ?
O3B S1B C37B F3B -169(2) . . . . ?
O5B S1B C37B F3B -49.4(18) . . . . ?
O4B S1B C37B F3B 73(2) . . . . ?
O3C S1C C37C F2C -57(3) . . . . ?
O5C S1C C37C F2C -179(3) . . . . ?
O4C S1C C37C F2C 61(3) . . . . ?
O3C S1C C37C F1C 66(3) . . . . ?
O5C S1C C37C F1C -57(3) . . . . ?
O4C S1C C37C F1C -177(3) . . . . ?
O3C S1C C37C F3C -176(3) . . . . ?
O5C S1C C37C F3C 62(3) . . . . ?
O4C S1C C37C F3C -59(3) . . . . ?
O6 S2 C38 F5 -177.1(3) . . . . ?
O7 S2 C38 F5 -57.2(3) . . . . ?
O8 S2 C38 F5 63.2(3) . . . . ?
O6 S2 C38 F4 62.4(3) . . . . ?
O7 S2 C38 F4 -177.7(3) . . . . ?
O8 S2 C38 F4 -57.2(3) . . . . ?
O6 S2 C38 F6 -57.9(3) . . . . ?
O7 S2 C38 F6 62.0(3) . . . . ?
O8 S2 C38 F6 -177.6(3) . . . . ?
C6 P1 O1 Ge1 22.2(2) . . . . ?
C25 P1 O1 Ge1 -100.8(2) . . . . ?
C28 P1 O1 Ge1 140.07(19) . . . . ?
O2 Ge1 O1 P1 99.08(19) . . . . ?
C17 Ge1 O1 P1 -149.24(19) . . . . ?
C5 Ge1 O1 P1 -16.9(2) . . . . ?
C18 P2 O2 Ge1 16.0(2) . . . . ?
C34 P2 O2 Ge1 138.49(19) . . . . ?
C31 P2 O2 Ge1 -102.1(2) . . . . ?
O1 Ge1 O2 P2 120.29(18) . . . . ?
C17 Ge1 O2 P2 4.2(2) . . . . ?
C5 Ge1 O2 P2 -128.24(19) . . . . ?
C10 C1 C2 C3 175.7(4) . . . . ?
C10 C1 C2 C11 -2.9(4) . . . . ?
C11 C2 C3 C4 1.4(5) . . . . ?
C1 C2 C3 C4 -177.1(4) . . . . ?
C2 C3 C4 C5 -1.4(5) . . . . ?
C3 C4 C5 C12 -0.3(5) . . . . ?
C3 C4 C5 Ge1 173.5(3) . . . . ?
O2 Ge1 C5 C4 75.3(3) . . . . ?
O1 Ge1 C5 C4 -172.5(3) . . . . ?
C17 Ge1 C5 C4 -47.2(3) . . . . ?
O2 Ge1 C5 C12 -111.0(3) . . . . ?
O1 Ge1 C5 C12 1.2(3) . . . . ?
C17 Ge1 C5 C12 126.4(3) . . . . ?
O1 P1 C6 C7 163.5(3) . . . . ?
C25 P1 C6 C7 -77.1(3) . . . . ?
C28 P1 C6 C7 46.7(3) . . . . ?
O1 P1 C6 C12 -13.5(3) . . . . ?
C25 P1 C6 C12 105.9(3) . . . . ?
C28 P1 C6 C12 -130.3(3) . . . . ?
C12 C6 C7 C8 0.1(5) . . . . ?
P1 C6 C7 C8 -177.1(3) . . . . ?
C6 C7 C8 C9 -0.2(6) . . . . ?
C7 C8 C9 C11 -0.8(5) . . . . ?
C7 C8 C9 C10 177.8(4) . . . . ?
C8 C9 C10 C1 178.7(4) . . . . ?
C11 C9 C10 C1 -2.6(4) . . . . ?
C2 C1 C10 C9 3.3(4) . . . . ?
C8 C9 C11 C12 2.0(5) . . . . ?
C10 C9 C11 C12 -176.9(3) . . . . ?
C8 C9 C11 C2 179.7(3) . . . . ?
C10 C9 C11 C2 0.8(4) . . . . ?
C3 C2 C11 C9 -177.5(3) . . . . ?
C1 C2 C11 C9 1.4(4) . . . . ?
C3 C2 C11 C12 0.3(5) . . . . ?
C1 C2 C11 C12 179.1(3) . . . . ?
C9 C11 C12 C5 175.6(3) . . . . ?
C2 C11 C12 C5 -1.9(5) . . . . ?
C9 C11 C12 C6 -2.1(5) . . . . ?
C2 C11 C12 C6 -179.5(3) . . . . ?
C4 C5 C12 C11 1.8(5) . . . . ?
Ge1 C5 C12 C11 -171.7(2) . . . . ?
C4 C5 C12 C6 179.1(3) . . . . ?
Ge1 C5 C12 C6 5.6(5) . . . . ?
C7 C6 C12 C11 1.0(5) . . . . ?
P1 C6 C12 C11 177.9(3) . . . . ?
C7 C6 C12 C5 -176.3(3) . . . . ?
P1 C6 C12 C5 0.6(5) . . . . ?
C22 C13 C14 C15 177.1(4) . . . . ?
C22 C13 C14 C23 -4.0(4) . . . . ?
C23 C14 C15 C16 2.3(5) . . . . ?
C13 C14 C15 C16 -179.0(3) . . . . ?
C14 C15 C16 C17 -3.8(5) . . . . ?
C15 C16 C17 C24 1.1(5) . . . . ?
C15 C16 C17 Ge1 172.2(2) . . . . ?
O2 Ge1 C17 C16 169.3(2) . . . . ?
O1 Ge1 C17 C16 57.0(3) . . . . ?
C5 Ge1 C17 C16 -65.3(3) . . . . ?
O2 Ge1 C17 C24 -19.6(3) . . . . ?
O1 Ge1 C17 C24 -131.9(2) . . . . ?
C5 Ge1 C17 C24 105.8(3) . . . . ?
O2 P2 C18 C19 162.1(3) . . . . ?
C34 P2 C18 C19 43.0(3) . . . . ?
C31 P2 C18 C19 -81.0(3) . . . . ?
O2 P2 C18 C24 -28.3(3) . . . . ?
C34 P2 C18 C24 -147.4(3) . . . . ?
C31 P2 C18 C24 88.6(3) . . . . ?
C24 C18 C19 C20 -2.1(5) . . . . ?
P2 C18 C19 C20 167.9(3) . . . . ?
C18 C19 C20 C21 -1.9(6) . . . . ?
C19 C20 C21 C23 3.4(5) . . . . ?
C19 C20 C21 C22 -177.6(4) . . . . ?
C20 C21 C22 C13 178.1(4) . . . . ?
C23 C21 C22 C13 -2.8(4) . . . . ?
C14 C13 C22 C21 4.1(4) . . . . ?
C15 C14 C23 C24 1.9(5) . . . . ?
C13 C14 C23 C24 -177.1(3) . . . . ?
C15 C14 C23 C21 -178.6(3) . . . . ?
C13 C14 C23 C21 2.4(4) . . . . ?
C20 C21 C23 C24 -0.9(5) . . . . ?
C22 C21 C23 C24 179.8(3) . . . . ?
C20 C21 C23 C14 179.6(3) . . . . ?
C22 C21 C23 C14 0.3(4) . . . . ?
C14 C23 C24 C17 -4.5(5) . . . . ?
C21 C23 C24 C17 176.1(3) . . . . ?
C14 C23 C24 C18 176.5(3) . . . . ?
C21 C23 C24 C18 -3.0(5) . . . . ?
C16 C17 C24 C23 2.9(4) . . . . ?
Ge1 C17 C24 C23 -168.1(2) . . . . ?
C16 C17 C24 C18 -178.2(3) . . . . ?
Ge1 C17 C24 C18 10.8(4) . . . . ?
C19 C18 C24 C23 4.3(5) . . . . ?
P2 C18 C24 C23 -165.2(2) . . . . ?
C19 C18 C24 C17 -174.6(3) . . . . ?
P2 C18 C24 C17 15.9(5) . . . . ?
O1 P1 C25 C26 50.2(3) . . . . ?
C6 P1 C25 C26 -70.1(3) . . . . ?
C28 P1 C25 C26 167.0(2) . . . . ?
O1 P1 C25 C27 176.9(2) . . . . ?
C6 P1 C25 C27 56.6(3) . . . . ?
C28 P1 C25 C27 -66.3(3) . . . . ?
O1 P1 C28 C30 -66.6(3) . . . . ?
C6 P1 C28 C30 51.1(3) . . . . ?
C25 P1 C28 C30 176.5(3) . . . . ?
O1 P1 C28 C29 58.5(3) . . . . ?
C6 P1 C28 C29 176.3(3) . . . . ?
C25 P1 C28 C29 -58.4(3) . . . . ?
O2 P2 C31 C32 -172.3(3) . . . . ?
C18 P2 C31 C32 69.6(3) . . . . ?
C34 P2 C31 C32 -55.4(3) . . . . ?
O2 P2 C31 C33 63.1(3) . . . . ?
C18 P2 C31 C33 -54.9(3) . . . . ?
C34 P2 C31 C33 -179.9(3) . . . . ?
O2 P2 C34 C35 66.6(3) . . . . ?
C18 P2 C34 C35 -173.4(3) . . . . ?
C31 P2 C34 C35 -50.4(3) . . . . ?
O2 P2 C34 C36 -57.3(3) . . . . ?
C18 P2 C34 C36 62.7(3) . . . . ?
C31 P2 C34 C36 -174.3(3) . . . . ?

_refine_diff_density_max         0.948
_refine_diff_density_min         -1.073
_refine_diff_density_rms         0.088



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2416610'
loop_
_audit_author_name
_audit_author_address
'Moumita Majumdar'
;Indian Institute of Science Education and Research, Pune
India
;
_audit_update_record             
;
2025-01-13 deposited with the CCDC.	2025-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H45 F3 Ge O5 P2 S'
_chemical_formula_weight         793.32

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   10.664(5)
_cell_length_b                   11.806(6)
_cell_length_c                   14.963(7)
_cell_angle_alpha                94.403(13)
_cell_angle_beta                 96.594(12)
_cell_angle_gamma                98.318(13)
_cell_volume                     1843.3(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_F_000             824
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    1.031
_shelx_estimated_absorpt_T_min   0.913
_shelx_estimated_absorpt_T_max   0.950
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19848
_diffrn_reflns_av_unetI/netI     0.0705
_diffrn_reflns_av_R_equivalents  0.0615
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.122
_diffrn_reflns_theta_max         25.193
_diffrn_reflns_theta_full        25.193
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             6594
_reflns_number_gt                4980
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0344P)²+0.4817P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6594
_refine_ls_number_parameters     454
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0401
_refine_ls_wR_factor_ref         0.0947
_refine_ls_wR_factor_gt          0.0856
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.52491(3) 0.18267(3) 0.30074(2) 0.01772(10) Uani 1 1 d . . . . .
P1 P 0.28845(7) 0.13518(7) 0.13964(5) 0.01808(19) Uani 1 1 d . . . . .
P2 P 0.72758(7) 0.15915(7) 0.46709(5) 0.01863(19) Uani 1 1 d . . . . .
S1 S 0.97013(8) 0.78216(8) 0.20490(6) 0.0342(2) Uani 1 1 d . . . . .
O1 O 0.34390(18) 0.15332(17) 0.23880(13) 0.0197(5) Uani 1 1 d . . . . .
O2 O 0.70368(18) 0.19469(18) 0.37210(13) 0.0213(5) Uani 1 1 d . . . . .
F3 F 1.0047(2) 0.59636(19) 0.11011(16) 0.0537(6) Uani 1 1 d . . . . .
F2 F 1.1744(2) 0.71964(19) 0.15113(18) 0.0630(7) Uani 1 1 d . . . . .
O5 O 0.9479(3) 0.8314(2) 0.12050(17) 0.0498(7) Uani 1 1 d . . . . .
O4 O 1.0548(3) 0.8563(2) 0.27377(16) 0.0468(7) Uani 1 1 d . . . . .
C12 C 0.5216(3) 0.2698(2) 0.11521(19) 0.0160(7) Uani 1 1 d . . . . .
C5 C 0.5907(3) 0.2627(2) 0.20294(19) 0.0179(7) Uani 1 1 d . . . . .
F1 F 1.0942(3) 0.6134(2) 0.24625(19) 0.0793(9) Uani 1 1 d . . . . .
C6 C 0.3945(3) 0.2174(3) 0.0770(2) 0.0185(7) Uani 1 1 d . . . . .
C23 C 0.4552(3) 0.3314(2) 0.55454(19) 0.0173(7) Uani 1 1 d . . . . .
C24 C 0.5180(3) 0.2715(3) 0.4927(2) 0.0177(7) Uani 1 1 d . . . . .
C21 C 0.4792(3) 0.3322(3) 0.6488(2) 0.0205(7) Uani 1 1 d . . . . .
C17 C 0.4747(3) 0.2756(3) 0.39855(19) 0.0172(7) Uani 1 1 d . . . . .
C11 C 0.5874(3) 0.3391(2) 0.05763(19) 0.0162(7) Uani 1 1 d . . . . .
C18 C 0.6174(3) 0.2149(3) 0.5333(2) 0.0189(7) Uani 1 1 d . . . . .
O3 O 0.8605(3) 0.7186(3) 0.2324(2) 0.0811(11) Uani 1 1 d . . . . .
C8 C 0.4169(3) 0.3036(3) -0.0653(2) 0.0244(8) Uani 1 1 d . . . . .
H8 H 0.381762 0.312354 -0.125154 0.029 Uiso 1 1 calc R U . . .
C9 C 0.5363(3) 0.3574(2) -0.0312(2) 0.0196(7) Uani 1 1 d . . . . .
C4 C 0.7131(3) 0.3240(3) 0.2226(2) 0.0222(7) Uani 1 1 d . . . . .
H4 H 0.759110 0.317472 0.279720 0.027 Uiso 1 1 calc R U . . .
C14 C 0.3595(3) 0.3973(3) 0.5286(2) 0.0202(7) Uani 1 1 d . . . . .
C2 C 0.7103(3) 0.4021(3) 0.0812(2) 0.0191(7) Uani 1 1 d . . . . .
C16 C 0.3835(3) 0.3438(3) 0.3763(2) 0.0219(7) Uani 1 1 d . . . . .
H16 H 0.357747 0.348697 0.313925 0.026 Uiso 1 1 calc R U . . .
C19 C 0.6396(3) 0.2164(3) 0.6271(2) 0.0242(8) Uani 1 1 d . . . . .
H19 H 0.705225 0.177761 0.652705 0.029 Uiso 1 1 calc R U . . .
C10 C 0.6311(3) 0.4399(3) -0.0698(2) 0.0228(7) Uani 1 1 d . . . . .
H10A H 0.594681 0.509756 -0.084391 0.027 Uiso 1 1 calc R U . . .
H10B H 0.656693 0.403856 -0.125407 0.027 Uiso 1 1 calc R U . . .
C1 C 0.7473(3) 0.4702(3) 0.0052(2) 0.0233(7) Uani 1 1 d . . . . .
H1A H 0.825340 0.448021 -0.016625 0.028 Uiso 1 1 calc R U . . .
H1B H 0.763027 0.553665 0.024649 0.028 Uiso 1 1 calc R U . . .
C3 C 0.7739(3) 0.3945(3) 0.1646(2) 0.0237(7) Uani 1 1 d . . . . .
H3 H 0.857321 0.436017 0.182684 0.028 Uiso 1 1 calc R U . . .
C20 C 0.5697(3) 0.2722(3) 0.6849(2) 0.0263(8) Uani 1 1 d . . . . .
H20 H 0.584737 0.268546 0.748311 0.032 Uiso 1 1 calc R U . . .
C27 C 0.3944(3) -0.0598(3) 0.1114(2) 0.0355(9) Uani 1 1 d . . . . .
H27A H 0.454581 -0.016622 0.076903 0.053 Uiso 1 1 calc R U . . .
H27B H 0.381572 -0.141544 0.089512 0.053 Uiso 1 1 calc R U . . .
H27C H 0.429000 -0.050009 0.175592 0.053 Uiso 1 1 calc R U . . .
C25 C 0.2671(3) -0.0151(3) 0.0994(2) 0.0246(7) Uani 1 1 d . . . . .
H25 H 0.210398 -0.057500 0.138651 0.029 Uiso 1 1 calc R U . . .
C13 C 0.3133(3) 0.4477(3) 0.6121(2) 0.0260(8) Uani 1 1 d . . . . .
H13A H 0.221301 0.419728 0.612504 0.031 Uiso 1 1 calc R U . . .
H13B H 0.326817 0.532693 0.615295 0.031 Uiso 1 1 calc R U . . .
C7 C 0.3472(3) 0.2353(3) -0.0103(2) 0.0213(7) Uani 1 1 d . . . . .
H7 H 0.263101 0.199232 -0.033785 0.026 Uiso 1 1 calc R U . . .
C22 C 0.3941(3) 0.4061(3) 0.6918(2) 0.0270(8) Uani 1 1 d . . . . .
H22A H 0.445787 0.472261 0.730355 0.032 Uiso 1 1 calc R U . . .
H22B H 0.338572 0.360955 0.729233 0.032 Uiso 1 1 calc R U . . .
C15 C 0.3261(3) 0.4065(3) 0.4390(2) 0.0247(8) Uani 1 1 d . . . . .
H15 H 0.265556 0.454007 0.419715 0.030 Uiso 1 1 calc R U . . .
C28 C 0.1346(3) 0.1838(3) 0.1263(2) 0.0207(7) Uani 1 1 d . . . . .
H28 H 0.095574 0.163795 0.061952 0.025 Uiso 1 1 calc R U . . .
C35 C 0.7480(3) -0.0377(3) 0.5581(2) 0.0273(8) Uani 1 1 d . . . . .
H35A H 0.837616 -0.004902 0.577861 0.041 Uiso 1 1 calc R U . . .
H35B H 0.739138 -0.121779 0.552200 0.041 Uiso 1 1 calc R U . . .
H35C H 0.694840 -0.012768 0.602796 0.041 Uiso 1 1 calc R U . . .
C34 C 0.7049(3) 0.0038(3) 0.4664(2) 0.0239(7) Uani 1 1 d . . . . .
H34 H 0.610640 -0.022399 0.453953 0.029 Uiso 1 1 calc R U . . .
C31 C 0.8868(3) 0.2254(3) 0.5168(2) 0.0246(8) Uani 1 1 d . . . . .
H31 H 0.903537 0.199322 0.578512 0.030 Uiso 1 1 calc R U . . .
C30 C 0.1465(3) 0.3134(3) 0.1476(3) 0.0349(9) Uani 1 1 d . . . . .
H30A H 0.176963 0.333873 0.211976 0.052 Uiso 1 1 calc R U . . .
H30B H 0.062754 0.337302 0.133368 0.052 Uiso 1 1 calc R U . . .
H30C H 0.207254 0.352418 0.111351 0.052 Uiso 1 1 calc R U . . .
C32 C 0.8949(3) 0.3558(3) 0.5264(3) 0.0366(9) Uani 1 1 d . . . . .
H32A H 0.880245 0.383064 0.466457 0.055 Uiso 1 1 calc R U . . .
H32B H 0.979820 0.390970 0.556118 0.055 Uiso 1 1 calc R U . . .
H32C H 0.829804 0.377214 0.562938 0.055 Uiso 1 1 calc R U . . .
C36 C 0.7630(4) -0.0539(3) 0.3889(2) 0.0358(9) Uani 1 1 d . . . . .
H36A H 0.736437 -0.022191 0.332348 0.054 Uiso 1 1 calc R U . . .
H36B H 0.733077 -0.136966 0.382978 0.054 Uiso 1 1 calc R U . . .
H36C H 0.856363 -0.039429 0.401857 0.054 Uiso 1 1 calc R U . . .
C29 C 0.0477(3) 0.1206(3) 0.1863(2) 0.0342(9) Uani 1 1 d . . . . .
H29A H 0.034858 0.037849 0.167727 0.051 Uiso 1 1 calc R U . . .
H29B H -0.034906 0.148179 0.180420 0.051 Uiso 1 1 calc R U . . .
H29C H 0.087289 0.134954 0.249345 0.051 Uiso 1 1 calc R U . . .
C26 C 0.2029(4) -0.0431(3) 0.0020(2) 0.0404(10) Uani 1 1 d . . . . .
H26A H 0.120220 -0.015553 -0.004129 0.061 Uiso 1 1 calc R U . . .
H26B H 0.189659 -0.126525 -0.013575 0.061 Uiso 1 1 calc R U . . .
H26C H 0.257522 -0.005295 -0.038825 0.061 Uiso 1 1 calc R U . . .
C37 C 1.0645(3) 0.6734(3) 0.1761(3) 0.0383(9) Uani 1 1 d . . . . .
C33 C 0.9867(3) 0.1902(3) 0.4614(3) 0.0500(11) Uani 1 1 d . . . . .
H33A H 0.984023 0.106717 0.459236 0.075 Uiso 1 1 calc R U . . .
H33B H 1.071457 0.228772 0.488939 0.075 Uiso 1 1 calc R U . . .
H33C H 0.969629 0.212290 0.399837 0.075 Uiso 1 1 calc R U . . .
H1 H 0.520(3) 0.061(2) 0.3047(19) 0.026(8) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C17 1.933(3) . ?
Ge1 C5 1.945(3) . ?
Ge1 O1 2.013(2) . ?
Ge1 O2 2.056(2) . ?
Ge1 H1 1.43(3) . ?
P1 O1 1.520(2) . ?
P1 C6 1.780(3) . ?
P1 C25 1.803(3) . ?
P1 C28 1.810(3) . ?
P2 O2 1.517(2) . ?
P2 C18 1.785(3) . ?
P2 C31 1.813(3) . ?
P2 C34 1.814(3) . ?
S1 O3 1.416(3) . ?
S1 O4 1.436(3) . ?
S1 O5 1.440(3) . ?
S1 C37 1.798(4) . ?
F3 C37 1.326(4) . ?
F2 C37 1.326(4) . ?
C12 C11 1.408(4) . ?
C12 C6 1.440(4) . ?
C12 C5 1.444(4) . ?
C5 C4 1.386(4) . ?
F1 C37 1.344(4) . ?
C6 C7 1.388(4) . ?
C23 C21 1.404(4) . ?
C23 C14 1.408(4) . ?
C23 C24 1.408(4) . ?
C24 C18 1.435(4) . ?
C24 C17 1.438(4) . ?
C21 C20 1.364(4) . ?
C21 C22 1.508(4) . ?
C17 C16 1.378(4) . ?
C11 C2 1.402(4) . ?
C11 C9 1.422(4) . ?
C18 C19 1.394(4) . ?
C8 C9 1.360(4) . ?
C8 C7 1.396(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.496(4) . ?
C4 C3 1.396(4) . ?
C4 H4 0.9500 . ?
C14 C15 1.364(4) . ?
C14 C13 1.506(4) . ?
C2 C3 1.367(4) . ?
C2 C1 1.499(4) . ?
C16 C15 1.399(4) . ?
C16 H16 0.9500 . ?
C19 C20 1.393(4) . ?
C19 H19 0.9500 . ?
C10 C1 1.553(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C3 H3 0.9500 . ?
C20 H20 0.9500 . ?
C27 C25 1.523(4) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C25 C26 1.528(4) . ?
C25 H25 1.0000 . ?
C13 C22 1.542(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C7 H7 0.9500 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C15 H15 0.9500 . ?
C28 C29 1.522(4) . ?
C28 C30 1.523(4) . ?
C28 H28 1.0000 . ?
C35 C34 1.535(4) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C34 C36 1.536(4) . ?
C34 H34 1.0000 . ?
C31 C33 1.509(5) . ?
C31 C32 1.524(4) . ?
C31 H31 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?

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
C17 Ge1 C5 117.03(13) . . ?
C17 Ge1 O1 90.56(10) . . ?
C5 Ge1 O1 93.63(11) . . ?
C17 Ge1 O2 89.36(10) . . ?
C5 Ge1 O2 92.77(11) . . ?
O1 Ge1 O2 172.86(8) . . ?
C17 Ge1 H1 120.2(11) . . ?
C5 Ge1 H1 122.7(12) . . ?
O1 Ge1 H1 89.0(11) . . ?
O2 Ge1 H1 84.9(11) . . ?
O1 P1 C6 108.47(13) . . ?
O1 P1 C25 110.43(13) . . ?
C6 P1 C25 110.47(15) . . ?
O1 P1 C28 109.35(13) . . ?
C6 P1 C28 109.38(14) . . ?
C25 P1 C28 108.72(14) . . ?
O2 P2 C18 108.53(13) . . ?
O2 P2 C31 108.59(14) . . ?
C18 P2 C31 107.28(15) . . ?
O2 P2 C34 111.01(13) . . ?
C18 P2 C34 109.02(15) . . ?
C31 P2 C34 112.28(14) . . ?
O3 S1 O4 116.8(2) . . ?
O3 S1 O5 114.8(2) . . ?
O4 S1 O5 114.44(16) . . ?
O3 S1 C37 103.34(19) . . ?
O4 S1 C37 102.56(17) . . ?
O5 S1 C37 102.05(18) . . ?
P1 O1 Ge1 132.20(12) . . ?
P2 O2 Ge1 123.72(12) . . ?
C11 C12 C6 114.3(3) . . ?
C11 C12 C5 115.7(3) . . ?
C6 C12 C5 130.0(3) . . ?
C4 C5 C12 117.8(3) . . ?
C4 C5 Ge1 115.8(2) . . ?
C12 C5 Ge1 126.3(2) . . ?
C7 C6 C12 120.3(3) . . ?
C7 C6 P1 117.0(2) . . ?
C12 C6 P1 122.6(2) . . ?
C21 C23 C14 111.8(3) . . ?
C21 C23 C24 124.5(3) . . ?
C14 C23 C24 123.6(3) . . ?
C23 C24 C18 114.7(3) . . ?
C23 C24 C17 116.2(3) . . ?
C18 C24 C17 129.1(3) . . ?
C20 C21 C23 119.0(3) . . ?
C20 C21 C22 132.1(3) . . ?
C23 C21 C22 108.9(3) . . ?
C16 C17 C24 118.1(3) . . ?
C16 C17 Ge1 117.1(2) . . ?
C24 C17 Ge1 124.6(2) . . ?
C2 C11 C12 124.6(3) . . ?
C2 C11 C9 110.9(3) . . ?
C12 C11 C9 124.4(3) . . ?
C19 C18 C24 119.9(3) . . ?
C19 C18 P2 118.7(2) . . ?
C24 C18 P2 120.9(2) . . ?
C9 C8 C7 118.6(3) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C8 C9 C11 119.1(3) . . ?
C8 C9 C10 131.7(3) . . ?
C11 C9 C10 109.2(3) . . ?
C5 C4 C3 124.9(3) . . ?
C5 C4 H4 117.6 . . ?
C3 C4 H4 117.6 . . ?
C15 C14 C23 119.1(3) . . ?
C15 C14 C13 131.9(3) . . ?
C23 C14 C13 109.0(3) . . ?
C3 C2 C11 118.8(3) . . ?
C3 C2 C1 131.3(3) . . ?
C11 C2 C1 110.0(3) . . ?
C17 C16 C15 124.6(3) . . ?
C17 C16 H16 117.7 . . ?
C15 C16 H16 117.7 . . ?
C20 C19 C18 122.8(3) . . ?
C20 C19 H19 118.6 . . ?
C18 C19 H19 118.6 . . ?
C9 C10 C1 105.3(2) . . ?
C9 C10 H10A 110.7 . . ?
C1 C10 H10A 110.7 . . ?
C9 C10 H10B 110.7 . . ?
C1 C10 H10B 110.7 . . ?
H10A C10 H10B 108.8 . . ?
C2 C1 C10 104.7(2) . . ?
C2 C1 H1A 110.8 . . ?
C10 C1 H1A 110.8 . . ?
C2 C1 H1B 110.8 . . ?
C10 C1 H1B 110.8 . . ?
H1A C1 H1B 108.9 . . ?
C2 C3 C4 118.2(3) . . ?
C2 C3 H3 120.9 . . ?
C4 C3 H3 120.9 . . ?
C21 C20 C19 118.9(3) . . ?
C21 C20 H20 120.5 . . ?
C19 C20 H20 120.5 . . ?
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 . . ?
C27 C25 C26 110.6(3) . . ?
C27 C25 P1 110.2(2) . . ?
C26 C25 P1 114.3(2) . . ?
C27 C25 H25 107.1 . . ?
C26 C25 H25 107.1 . . ?
P1 C25 H25 107.1 . . ?
C14 C13 C22 105.0(2) . . ?
C14 C13 H13A 110.8 . . ?
C22 C13 H13A 110.8 . . ?
C14 C13 H13B 110.8 . . ?
C22 C13 H13B 110.8 . . ?
H13A C13 H13B 108.8 . . ?
C6 C7 C8 123.2(3) . . ?
C6 C7 H7 118.4 . . ?
C8 C7 H7 118.4 . . ?
C21 C22 C13 105.2(2) . . ?
C21 C22 H22A 110.7 . . ?
C13 C22 H22A 110.7 . . ?
C21 C22 H22B 110.7 . . ?
C13 C22 H22B 110.7 . . ?
H22A C22 H22B 108.8 . . ?
C14 C15 C16 118.2(3) . . ?
C14 C15 H15 120.9 . . ?
C16 C15 H15 120.9 . . ?
C29 C28 C30 110.7(3) . . ?
C29 C28 P1 109.3(2) . . ?
C30 C28 P1 112.0(2) . . ?
C29 C28 H28 108.3 . . ?
C30 C28 H28 108.3 . . ?
P1 C28 H28 108.3 . . ?
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 . . ?
C35 C34 C36 112.3(3) . . ?
C35 C34 P2 113.5(2) . . ?
C36 C34 P2 112.3(2) . . ?
C35 C34 H34 106.0 . . ?
C36 C34 H34 106.0 . . ?
P2 C34 H34 106.0 . . ?
C33 C31 C32 110.5(3) . . ?
C33 C31 P2 111.3(2) . . ?
C32 C31 P2 109.9(2) . . ?
C33 C31 H31 108.4 . . ?
C32 C31 H31 108.4 . . ?
P2 C31 H31 108.4 . . ?
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 . . ?
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 . . ?
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 . . ?
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 . . ?
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 . . ?
F3 C37 F2 108.2(3) . . ?
F3 C37 F1 105.8(3) . . ?
F2 C37 F1 106.4(3) . . ?
F3 C37 S1 112.7(3) . . ?
F2 C37 S1 111.1(3) . . ?
F1 C37 S1 112.2(3) . . ?
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 . . ?

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
C6 P1 O1 Ge1 -32.3(2) . . . . ?
C25 P1 O1 Ge1 88.94(19) . . . . ?
C28 P1 O1 Ge1 -151.47(16) . . . . ?
C18 P2 O2 Ge1 -45.43(18) . . . . ?
C31 P2 O2 Ge1 -161.74(14) . . . . ?
C34 P2 O2 Ge1 74.37(18) . . . . ?
C11 C12 C5 C4 0.3(4) . . . . ?
C6 C12 C5 C4 -179.3(3) . . . . ?
C11 C12 C5 Ge1 176.1(2) . . . . ?
C6 C12 C5 Ge1 -3.5(4) . . . . ?
C11 C12 C6 C7 1.1(4) . . . . ?
C5 C12 C6 C7 -179.3(3) . . . . ?
C11 C12 C6 P1 -175.1(2) . . . . ?
C5 C12 C6 P1 4.5(4) . . . . ?
O1 P1 C6 C7 -164.5(2) . . . . ?
C25 P1 C6 C7 74.4(3) . . . . ?
C28 P1 C6 C7 -45.3(3) . . . . ?
O1 P1 C6 C12 11.8(3) . . . . ?
C25 P1 C6 C12 -109.3(3) . . . . ?
C28 P1 C6 C12 131.0(2) . . . . ?
C21 C23 C24 C18 -3.8(4) . . . . ?
C14 C23 C24 C18 176.7(3) . . . . ?
C21 C23 C24 C17 176.4(3) . . . . ?
C14 C23 C24 C17 -3.1(4) . . . . ?
C14 C23 C21 C20 -180.0(3) . . . . ?
C24 C23 C21 C20 0.5(5) . . . . ?
C14 C23 C21 C22 -0.8(4) . . . . ?
C24 C23 C21 C22 179.7(3) . . . . ?
C23 C24 C17 C16 4.8(4) . . . . ?
C18 C24 C17 C16 -175.0(3) . . . . ?
C23 C24 C17 Ge1 -169.9(2) . . . . ?
C18 C24 C17 Ge1 10.3(4) . . . . ?
C6 C12 C11 C2 177.5(3) . . . . ?
C5 C12 C11 C2 -2.1(4) . . . . ?
C6 C12 C11 C9 -0.2(4) . . . . ?
C5 C12 C11 C9 -179.9(3) . . . . ?
C23 C24 C18 C19 3.8(4) . . . . ?
C17 C24 C18 C19 -176.4(3) . . . . ?
C23 C24 C18 P2 -167.6(2) . . . . ?
C17 C24 C18 P2 12.2(4) . . . . ?
O2 P2 C18 C19 -165.3(2) . . . . ?
C31 P2 C18 C19 -48.2(3) . . . . ?
C34 P2 C18 C19 73.6(3) . . . . ?
O2 P2 C18 C24 6.1(3) . . . . ?
C31 P2 C18 C24 123.3(2) . . . . ?
C34 P2 C18 C24 -114.9(3) . . . . ?
C7 C8 C9 C11 2.2(4) . . . . ?
C7 C8 C9 C10 -176.2(3) . . . . ?
C2 C11 C9 C8 -179.4(3) . . . . ?
C12 C11 C9 C8 -1.4(5) . . . . ?
C2 C11 C9 C10 -0.7(3) . . . . ?
C12 C11 C9 C10 177.3(3) . . . . ?
C12 C5 C4 C3 1.6(5) . . . . ?
Ge1 C5 C4 C3 -174.6(2) . . . . ?
C21 C23 C14 C15 179.2(3) . . . . ?
C24 C23 C14 C15 -1.3(5) . . . . ?
C21 C23 C14 C13 -0.1(4) . . . . ?
C24 C23 C14 C13 179.4(3) . . . . ?
C12 C11 C2 C3 2.1(5) . . . . ?
C9 C11 C2 C3 -179.9(3) . . . . ?
C12 C11 C2 C1 -177.2(3) . . . . ?
C9 C11 C2 C1 0.9(3) . . . . ?
C24 C17 C16 C15 -2.5(5) . . . . ?
Ge1 C17 C16 C15 172.6(2) . . . . ?
C24 C18 C19 C20 -0.6(5) . . . . ?
P2 C18 C19 C20 170.9(3) . . . . ?
C8 C9 C10 C1 178.8(3) . . . . ?
C11 C9 C10 C1 0.3(3) . . . . ?
C3 C2 C1 C10 -179.7(3) . . . . ?
C11 C2 C1 C10 -0.7(3) . . . . ?
C9 C10 C1 C2 0.2(3) . . . . ?
C11 C2 C3 C4 -0.1(4) . . . . ?
C1 C2 C3 C4 179.0(3) . . . . ?
C5 C4 C3 C2 -1.8(5) . . . . ?
C23 C21 C20 C19 2.9(5) . . . . ?
C22 C21 C20 C19 -176.0(3) . . . . ?
C18 C19 C20 C21 -2.9(5) . . . . ?
O1 P1 C25 C27 -58.9(3) . . . . ?
C6 P1 C25 C27 61.1(3) . . . . ?
C28 P1 C25 C27 -178.8(2) . . . . ?
O1 P1 C25 C26 175.9(2) . . . . ?
C6 P1 C25 C26 -64.1(3) . . . . ?
C28 P1 C25 C26 55.9(3) . . . . ?
C15 C14 C13 C22 -178.2(3) . . . . ?
C23 C14 C13 C22 0.9(3) . . . . ?
C12 C6 C7 C8 -0.3(5) . . . . ?
P1 C6 C7 C8 176.1(2) . . . . ?
C9 C8 C7 C6 -1.4(5) . . . . ?
C20 C21 C22 C13 -179.6(3) . . . . ?
C23 C21 C22 C13 1.4(3) . . . . ?
C14 C13 C22 C21 -1.4(3) . . . . ?
C23 C14 C15 C16 3.8(4) . . . . ?
C13 C14 C15 C16 -177.1(3) . . . . ?
C17 C16 C15 C14 -2.0(5) . . . . ?
O1 P1 C28 C29 -56.5(3) . . . . ?
C6 P1 C28 C29 -175.2(2) . . . . ?
C25 P1 C28 C29 64.1(3) . . . . ?
O1 P1 C28 C30 66.5(3) . . . . ?
C6 P1 C28 C30 -52.1(3) . . . . ?
C25 P1 C28 C30 -172.8(2) . . . . ?
O2 P2 C34 C35 170.9(2) . . . . ?
C18 P2 C34 C35 -69.6(3) . . . . ?
C31 P2 C34 C35 49.1(3) . . . . ?
O2 P2 C34 C36 42.2(3) . . . . ?
C18 P2 C34 C36 161.7(2) . . . . ?
C31 P2 C34 C36 -79.5(3) . . . . ?
O2 P2 C31 C33 -58.7(3) . . . . ?
C18 P2 C31 C33 -175.8(3) . . . . ?
C34 P2 C31 C33 64.4(3) . . . . ?
O2 P2 C31 C32 64.0(3) . . . . ?
C18 P2 C31 C32 -53.1(3) . . . . ?
C34 P2 C31 C32 -172.9(2) . . . . ?
O3 S1 C37 F3 60.3(3) . . . . ?
O4 S1 C37 F3 -177.9(3) . . . . ?
O5 S1 C37 F3 -59.2(3) . . . . ?
O3 S1 C37 F2 -178.1(3) . . . . ?
O4 S1 C37 F2 -56.3(3) . . . . ?
O5 S1 C37 F2 62.5(3) . . . . ?
O3 S1 C37 F1 -59.1(3) . . . . ?
O4 S1 C37 F1 62.7(3) . . . . ?
O5 S1 C37 F1 -178.5(2) . . . . ?

_refine_diff_density_max         0.433
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.074



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2416604'
loop_
_audit_author_name
_audit_author_address
'Moumita Majumdar'
;Indian Institute of Science Education and Research, Pune
India
;
_audit_update_record             
;
2025-01-14 deposited with the CCDC.	2025-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C89 H114 Cl6 F24 Ge2 N4 O4 P4 Sb4'
_chemical_formula_weight         2728.59

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'
N N 0.0061 0.0033 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   42.865(13)
_cell_length_b                   16.681(5)
_cell_length_c                   14.760(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.368(7)
_cell_angle_gamma                90
_cell_volume                     10508(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    5305
_cell_measurement_theta_max      23.995
_cell_measurement_theta_min      2.256

_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_description       needle
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_F_000             5416
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_preparation       DCM/pentane
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_absorpt_coefficient_mu    1.884
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6336
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-4'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32891
_diffrn_reflns_av_unetI/netI     0.0684
_diffrn_reflns_av_R_equivalents  0.0615
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.311
_diffrn_reflns_theta_max         25.486
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9676
_reflns_number_gt                6688
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0284P)²+28.9944P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9676
_refine_ls_number_parameters     694
_refine_ls_number_restraints     315
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0401
_refine_ls_wR_factor_ref         0.0930
_refine_ls_wR_factor_gt          0.0772
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.62831(2) 0.63407(3) 0.50712(3) 0.01768(11) Uani 1 1 d . . . . .
P1_1 P 0.57504(3) 0.70976(7) 0.62366(8) 0.0209(3) Uani 1 1 d . . . . .
O1_1 O 0.58686(7) 0.65663(16) 0.55040(18) 0.0206(7) Uani 1 1 d . . . . .
C1_1 C 0.65040(10) 0.6963(2) 0.6045(3) 0.0167(9) Uani 1 1 d . . . . .
C2_1 C 0.63695(10) 0.7595(2) 0.6558(3) 0.0193(10) Uani 1 1 d . . . . .
C3_1 C 0.60483(10) 0.7798(2) 0.6609(3) 0.0199(10) Uani 1 1 d . . . . .
C4_1 C 0.59696(12) 0.8464(3) 0.7103(3) 0.0292(11) Uani 1 1 d . . . . .
H4_1 H 0.575900 0.859510 0.711171 0.035 Uiso 1 1 calc R U . . .
C5_1 C 0.61959(13) 0.8951(3) 0.7593(3) 0.0341(13) Uani 1 1 d . . . . .
H5_1 H 0.613590 0.940294 0.790184 0.041 Uiso 1 1 calc R U . . .
C6_1 C 0.65009(12) 0.8749(3) 0.7604(3) 0.0296(12) Uani 1 1 d . . . . .
C7_1 C 0.65877(10) 0.8082(2) 0.7097(3) 0.0205(10) Uani 1 1 d . . . . .
C8_1 C 0.69128(11) 0.7952(3) 0.7199(3) 0.0255(11) Uani 1 1 d . . . . .
C9_1 C 0.70303(11) 0.7310(3) 0.6782(3) 0.0273(11) Uani 1 1 d . . . . .
H9_1 H 0.724201 0.718089 0.687451 0.033 Uiso 1 1 calc R U . . .
C10_1 C 0.68222(10) 0.6844(2) 0.6206(3) 0.0214(10) Uani 1 1 d . . . . .
H10_1 H 0.690733 0.641712 0.590742 0.026 Uiso 1 1 calc R U . . .
C11_1 C 0.67913(13) 0.9099(3) 0.8116(3) 0.0387(13) Uani 1 1 d . . . . .
H11A_1 H 0.678309 0.904517 0.876739 0.046 Uiso 1 1 calc R U . . .
H11B_1 H 0.681290 0.966236 0.796993 0.046 Uiso 1 1 calc R U . . .
C12_1 C 0.70661(13) 0.8607(3) 0.7793(3) 0.0389(13) Uani 1 1 d . . . . .
H12A_1 H 0.719808 0.894039 0.744968 0.047 Uiso 1 1 calc R U . . .
H12B_1 H 0.719306 0.837921 0.830854 0.047 Uiso 1 1 calc R U . . .
C13_1 C 0.56688(10) 0.6485(3) 0.7194(3) 0.0240(10) Uani 1 1 d . . . . .
H13_1 H 0.550907 0.609460 0.696936 0.029 Uiso 1 1 calc R U . . .
C14_1 C 0.59610(11) 0.6007(3) 0.7548(3) 0.0310(12) Uani 1 1 d . . . . .
H14A_1 H 0.603387 0.570013 0.705948 0.047 Uiso 1 1 calc R U . . .
H14B_1 H 0.590942 0.565126 0.802341 0.047 Uiso 1 1 calc R U . . .
H14C_1 H 0.612259 0.636972 0.778327 0.047 Uiso 1 1 calc R U . . .
C15_1 C 0.55345(11) 0.6957(3) 0.7952(3) 0.0341(12) Uani 1 1 d . . . . .
H15A_1 H 0.535047 0.724077 0.770821 0.051 Uiso 1 1 calc R U . . .
H15B_1 H 0.568788 0.733373 0.820637 0.051 Uiso 1 1 calc R U . . .
H15C_1 H 0.548043 0.659522 0.841772 0.051 Uiso 1 1 calc R U . . .
C16_1 C 0.53957(11) 0.7589(3) 0.5797(3) 0.0326(12) Uani 1 1 d . . . . .
H16_1 H 0.531387 0.788616 0.629605 0.039 Uiso 1 1 calc R U . . .
C17_1 C 0.54590(13) 0.8190(3) 0.5048(3) 0.0450(15) Uani 1 1 d . . . . .
H17A_1 H 0.553992 0.791030 0.455177 0.068 Uiso 1 1 calc R U . . .
H17B_1 H 0.560936 0.857931 0.528899 0.068 Uiso 1 1 calc R U . . .
H17C_1 H 0.526732 0.845502 0.483519 0.068 Uiso 1 1 calc R U . . .
C18_1 C 0.51504(12) 0.6963(3) 0.5454(4) 0.0448(14) Uani 1 1 d . . . . .
H18A_1 H 0.495719 0.722746 0.525562 0.067 Uiso 1 1 calc R U . . .
H18B_1 H 0.511666 0.659758 0.593821 0.067 Uiso 1 1 calc R U . . .
H18C_1 H 0.522391 0.667196 0.495503 0.067 Uiso 1 1 calc R U . . .
P1_2 P 0.68468(3) 0.56564(7) 0.39467(8) 0.0224(3) Uani 1 1 d . . . . .
O1_2 O 0.66709(7) 0.62895(17) 0.44407(19) 0.0225(7) Uani 1 1 d . . . . .
C1_2 C 0.62025(10) 0.5186(2) 0.4971(3) 0.0189(10) Uani 1 1 d . . . . .
C2_2 C 0.64140(10) 0.4599(2) 0.4648(3) 0.0204(10) Uani 1 1 d . . . . .
C3_2 C 0.67005(10) 0.4700(3) 0.4221(3) 0.0208(10) Uani 1 1 d . . . . .
C4_2 C 0.68708(11) 0.4034(3) 0.3983(3) 0.0297(11) Uani 1 1 d . . . . .
H4_2 H 0.705546 0.412047 0.371306 0.036 Uiso 1 1 calc R U . . .
C5_2 C 0.67800(12) 0.3247(3) 0.4127(3) 0.0331(12) Uani 1 1 d . . . . .
H5_2 H 0.690322 0.281845 0.397225 0.040 Uiso 1 1 calc R U . . .
C6_2 C 0.65030(11) 0.3123(3) 0.4503(3) 0.0265(11) Uani 1 1 d . . . . .
C7_2 C 0.63287(10) 0.3785(3) 0.4758(3) 0.0211(10) Uani 1 1 d . . . . .
C8_2 C 0.60561(11) 0.3532(3) 0.5127(3) 0.0254(11) Uani 1 1 d . . . . .
C9_2 C 0.58482(11) 0.4093(3) 0.5376(3) 0.0287(11) Uani 1 1 d . . . . .
H9_2 H 0.566016 0.394321 0.559448 0.034 Uiso 1 1 calc R U . . .
C10_2 C 0.59289(11) 0.4907(3) 0.5288(3) 0.0255(11) Uani 1 1 d . . . . .
H10_2 H 0.578660 0.528657 0.545698 0.031 Uiso 1 1 calc R U . . .
C11_2 C 0.63338(12) 0.2363(3) 0.4697(3) 0.0330(12) Uani 1 1 d . . . . .
H11A_2 H 0.646892 0.200654 0.507621 0.040 Uiso 1 1 calc R U . . .
H11B_2 H 0.626376 0.208684 0.413601 0.040 Uiso 1 1 calc R U . . .
C12_2 C 0.60538(12) 0.2630(3) 0.5195(3) 0.0336(12) Uani 1 1 d . . . . .
H12A_2 H 0.585992 0.241112 0.490450 0.040 Uiso 1 1 calc R U . . .
H12B_2 H 0.607816 0.245862 0.582557 0.040 Uiso 1 1 calc R U . . .
C13_2 C 0.67917(11) 0.5859(3) 0.2741(3) 0.0308(12) Uani 1 1 d . . . . .
H13_2 H 0.686665 0.640702 0.265688 0.037 Uiso 1 1 calc R U . . .
C14_2 C 0.69772(18) 0.5322(5) 0.2159(4) 0.097(3) Uani 1 1 d . . . . .
H14A_2 H 0.696192 0.552222 0.154709 0.145 Uiso 1 1 calc R U . . .
H14B_2 H 0.689406 0.478739 0.216099 0.145 Uiso 1 1 calc R U . . .
H14C_2 H 0.719292 0.531523 0.240182 0.145 Uiso 1 1 calc R U . . .
C15_2 C 0.64506(13) 0.5852(4) 0.2393(3) 0.0486(15) Uani 1 1 d . . . . .
H15A_2 H 0.634403 0.627766 0.267451 0.073 Uiso 1 1 calc R U . . .
H15B_2 H 0.635979 0.534700 0.253851 0.073 Uiso 1 1 calc R U . . .
H15C_2 H 0.643025 0.592514 0.174549 0.073 Uiso 1 1 calc R U . . .
C16_2 C 0.72648(10) 0.5704(3) 0.4284(3) 0.0280(11) Uani 1 1 d . . . . .
H16_2 H 0.736897 0.541156 0.382104 0.034 Uiso 1 1 calc R U . . .
C17_2 C 0.73730(12) 0.6580(3) 0.4247(4) 0.0393(13) Uani 1 1 d . . . . .
H17A_2 H 0.732742 0.678321 0.364031 0.059 Uiso 1 1 calc R U . . .
H17B_2 H 0.759459 0.660879 0.441463 0.059 Uiso 1 1 calc R U . . .
H17C_2 H 0.726476 0.689548 0.466209 0.059 Uiso 1 1 calc R U . . .
C18_2 C 0.73692(11) 0.5318(3) 0.5194(3) 0.0337(12) Uani 1 1 d . . . . .
H18A_2 H 0.728979 0.477988 0.520354 0.051 Uiso 1 1 calc R U . . .
H18B_2 H 0.728979 0.562221 0.567447 0.051 Uiso 1 1 calc R U . . .
H18C_2 H 0.759392 0.530684 0.527993 0.051 Uiso 1 1 calc R U . . .
N1_3 N 0.61188(8) 0.6965(2) 0.4028(2) 0.0198(8) Uani 1 1 d . . . . .
N2_3 N 0.57138(9) 0.8383(2) 0.1929(2) 0.0259(9) Uani 1 1 d . . . . .
C1_3 C 0.62666(11) 0.7623(3) 0.3749(3) 0.0271(11) Uani 1 1 d . . . . .
H1_3 H 0.646086 0.775492 0.404468 0.033 Uiso 1 1 calc R U . . .
C2_3 C 0.61466(11) 0.8100(3) 0.3060(3) 0.0292(11) Uani 1 1 d . . . . .
H2_3 H 0.625803 0.854544 0.289182 0.035 Uiso 1 1 calc R U . . .
C3_3 C 0.58502(11) 0.7918(3) 0.2596(3) 0.0246(11) Uani 1 1 d . . . . .
C4_3 C 0.57067(10) 0.7209(3) 0.2870(3) 0.0247(11) Uani 1 1 d . . . . .
H4_3 H 0.551845 0.704111 0.256375 0.030 Uiso 1 1 calc R U . . .
C5_3 C 0.58406(11) 0.6767(3) 0.3576(3) 0.0245(11) Uani 1 1 d . . . . .
H5_3 H 0.573707 0.631228 0.375522 0.029 Uiso 1 1 calc R U . . .
C6_3 C 0.58641(13) 0.9107(3) 0.1618(4) 0.0451(15) Uani 1 1 d . . . . .
H6A_3 H 0.608190 0.900117 0.156631 0.068 Uiso 1 1 calc R U . . .
H6B_3 H 0.584461 0.953137 0.204795 0.068 Uiso 1 1 calc R U . . .
H6C_3 H 0.576451 0.926322 0.103495 0.068 Uiso 1 1 calc R U . . .
C7_3 C 0.54018(12) 0.8204(3) 0.1508(3) 0.0352(12) Uani 1 1 d . . . . .
H7A_3 H 0.534065 0.860506 0.105965 0.053 Uiso 1 1 calc R U . . .
H7B_3 H 0.525643 0.820229 0.196495 0.053 Uiso 1 1 calc R U . . .
H7C_3 H 0.540212 0.768757 0.122212 0.053 Uiso 1 1 calc R U . . .
C1_4 C 0.65525(17) 0.9665(4) 0.5371(4) 0.074(2) Uani 1 1 d D . . . .
H1A_4 H 0.653023 0.944253 0.596827 0.089 Uiso 1 1 calc R U . . .
H1B_4 H 0.664902 1.018908 0.545518 0.089 Uiso 1 1 calc R U . . .
Cl1_4 Cl 0.67983(4) 0.90477(10) 0.48055(15) 0.0788(6) Uani 1 1 d D . . . .
Cl2_4 Cl 0.61887(4) 0.97748(11) 0.48010(12) 0.0761(5) Uani 1 1 d D . . . .
Sb1_5 Sb 0.70802(2) 0.84803(2) 0.17290(2) 0.03536(11) Uani 1 1 d D . . . .
F1_5 F 0.74546(9) 0.7995(3) 0.1517(2) 0.1037(17) Uani 1 1 d D . . . .
F2_5 F 0.70038(7) 0.86897(18) 0.0489(2) 0.0522(8) Uani 1 1 d D . . . .
F3_5 F 0.67099(7) 0.9009(2) 0.1933(2) 0.0676(11) Uani 1 1 d D . . . .
F4_5 F 0.71522(9) 0.8272(2) 0.2965(2) 0.0756(12) Uani 1 1 d D . . . .
F5_5 F 0.68615(12) 0.7531(2) 0.1574(3) 0.1088(17) Uani 1 1 d D . . . .
F6_5 F 0.72894(10) 0.9445(2) 0.1877(3) 0.0912(14) Uani 1 1 d D . . . .
Sb1_6 Sb 0.52405(2) 0.95062(4) 0.86608(5) 0.02432(17) Uani 0.5 1 d D U P A 1
F1_6 F 0.56733(12) 0.9541(4) 0.8672(4) 0.0531(16) Uani 0.5 1 d D U P A 1
F2_6 F 0.52662(15) 0.8453(4) 0.9094(4) 0.0467(16) Uiso 0.5 1 d D U P A 1
F3_6 F 0.48059(12) 0.9466(3) 0.8645(4) 0.0470(15) Uani 0.5 1 d D U P A 1
F4_6 F 0.52076(15) 1.0558(3) 0.8240(4) 0.0474(16) Uiso 0.5 1 d D U P A 1
F5_6 F 0.52702(14) 0.9846(3) 0.9870(3) 0.0428(15) Uani 0.5 1 d D U P A 1
F6_6 F 0.52139(14) 0.9123(4) 0.7464(4) 0.0529(17) Uani 0.5 1 d D U P A 1
C1_6 C 0.5285(3) 0.9794(6) 0.9066(9) 0.038(2) Uani 0.5 1 d D U P B 2
H1A_6 H 0.506132 0.977725 0.888889 0.045 Uiso 0.5 1 calc R U P B 2
H1B_6 H 0.531627 0.999695 0.968403 0.045 Uiso 0.5 1 calc R U P B 2
Cl1_6 Cl 0.54444(7) 0.88018(16) 0.90249(19) 0.0439(7) Uani 0.5 1 d D U P B 2
Cl2_6 Cl 0.54649(7) 1.04334(15) 0.83396(17) 0.0385(6) Uani 0.5 1 d D U P B 2
Sb1_7 Sb 0.49918(18) 0.45877(3) 0.7365(3) 0.0327(7) Uani 0.5 1 d D U P C -1
F1_7 F 0.4997(6) 0.5682(3) 0.7432(14) 0.059(3) Uani 0.5 1 d D U P C -1
F2_7 F 0.5312(3) 0.4484(9) 0.8254(9) 0.110(5) Uani 0.5 1 d D U P C -1
F3_7 F 0.4995(2) 0.3501(3) 0.7121(5) 0.084(4) Uani 0.5 1 d D U P C -1
F4_7 F 0.4680(3) 0.4686(8) 0.6417(7) 0.071(3) Uani 0.5 1 d D U P C -1
F5_7 F 0.4676(3) 0.4459(7) 0.8091(9) 0.097(4) Uani 0.5 1 d D U P C -1
F6_7 F 0.5298(2) 0.4701(6) 0.6566(7) 0.072(4) Uani 0.5 1 d D U P C -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N1_3 1.936(3) . ?
Ge1 C1_1 1.946(4) . ?
Ge1 C1_2 1.960(4) . ?
Ge1 O1_1 1.979(3) . ?
Ge1 O1_2 1.981(3) . ?
P1_1 O1_1 1.521(3) . ?
P1_1 C3_1 1.779(4) . ?
P1_1 C16_1 1.794(5) . ?
P1_1 C13_1 1.805(4) . ?
C1_1 C10_1 1.377(6) . ?
C1_1 C2_1 1.449(6) . ?
C2_1 C7_1 1.424(6) . ?
C2_1 C3_1 1.426(6) . ?
C3_1 C4_1 1.388(6) . ?
C4_1 C5_1 1.411(7) . ?
C4_1 H4_1 0.9300 . ?
C5_1 C6_1 1.349(7) . ?
C5_1 H5_1 0.9300 . ?
C6_1 C7_1 1.410(6) . ?
C6_1 C11_1 1.512(7) . ?
C7_1 C8_1 1.404(6) . ?
C8_1 C9_1 1.356(6) . ?
C8_1 C12_1 1.511(6) . ?
C9_1 C10_1 1.407(6) . ?
C9_1 H9_1 0.9300 . ?
C10_1 H10_1 0.9300 . ?
C11_1 C12_1 1.547(7) . ?
C11_1 H11A_1 0.9700 . ?
C11_1 H11B_1 0.9700 . ?
C12_1 H12A_1 0.9700 . ?
C12_1 H12B_1 0.9700 . ?
C13_1 C15_1 1.524(6) . ?
C13_1 C14_1 1.535(6) . ?
C13_1 H13_1 0.9800 . ?
C14_1 H14A_1 0.9600 . ?
C14_1 H14B_1 0.9600 . ?
C14_1 H14C_1 0.9600 . ?
C15_1 H15A_1 0.9600 . ?
C15_1 H15B_1 0.9600 . ?
C15_1 H15C_1 0.9600 . ?
C16_1 C18_1 1.533(7) . ?
C16_1 C17_1 1.535(6) . ?
C16_1 H16_1 0.9800 . ?
C17_1 H17A_1 0.9600 . ?
C17_1 H17B_1 0.9600 . ?
C17_1 H17C_1 0.9600 . ?
C18_1 H18A_1 0.9600 . ?
C18_1 H18B_1 0.9600 . ?
C18_1 H18C_1 0.9600 . ?
P1_2 O1_2 1.523(3) . ?
P1_2 C3_2 1.775(4) . ?
P1_2 C13_2 1.806(5) . ?
P1_2 C16_2 1.816(5) . ?
C1_2 C10_2 1.384(6) . ?
C1_2 C2_2 1.445(6) . ?
C2_2 C7_2 1.419(6) . ?
C2_2 C3_2 1.442(6) . ?
C3_2 C4_2 1.392(6) . ?
C4_2 C5_2 1.391(6) . ?
C4_2 H4_2 0.9300 . ?
C5_2 C6_2 1.373(7) . ?
C5_2 H5_2 0.9300 . ?
C6_2 C7_2 1.404(6) . ?
C6_2 C11_2 1.502(6) . ?
C7_2 C8_2 1.401(6) . ?
C8_2 C9_2 1.366(6) . ?
C8_2 C12_2 1.508(6) . ?
C9_2 C10_2 1.410(6) . ?
C9_2 H9_2 0.9300 . ?
C10_2 H10_2 0.9300 . ?
C11_2 C12_2 1.531(7) . ?
C11_2 H11A_2 0.9700 . ?
C11_2 H11B_2 0.9700 . ?
C12_2 H12A_2 0.9700 . ?
C12_2 H12B_2 0.9700 . ?
C13_2 C15_2 1.504(7) . ?
C13_2 C14_2 1.517(7) . ?
C13_2 H13_2 0.9800 . ?
C14_2 H14A_2 0.9600 . ?
C14_2 H14B_2 0.9600 . ?
C14_2 H14C_2 0.9600 . ?
C15_2 H15A_2 0.9600 . ?
C15_2 H15B_2 0.9600 . ?
C15_2 H15C_2 0.9600 . ?
C16_2 C18_2 1.520(6) . ?
C16_2 C17_2 1.536(6) . ?
C16_2 H16_2 0.9800 . ?
C17_2 H17A_2 0.9600 . ?
C17_2 H17B_2 0.9600 . ?
C17_2 H17C_2 0.9600 . ?
C18_2 H18A_2 0.9600 . ?
C18_2 H18B_2 0.9600 . ?
C18_2 H18C_2 0.9600 . ?
N1_3 C1_3 1.350(5) . ?
N1_3 C5_3 1.351(5) . ?
N2_3 C3_3 1.344(5) . ?
N2_3 C7_3 1.451(6) . ?
N2_3 C6_3 1.463(6) . ?
C1_3 C2_3 1.354(6) . ?
C1_3 H1_3 0.9300 . ?
C2_3 C3_3 1.419(6) . ?
C2_3 H2_3 0.9300 . ?
C3_3 C4_3 1.410(6) . ?
C4_3 C5_3 1.359(6) . ?
C4_3 H4_3 0.9300 . ?
C5_3 H5_3 0.9300 . ?
C6_3 H6A_3 0.9600 . ?
C6_3 H6B_3 0.9600 . ?
C6_3 H6C_3 0.9600 . ?
C7_3 H7A_3 0.9600 . ?
C7_3 H7B_3 0.9600 . ?
C7_3 H7C_3 0.9600 . ?
C1_4 Cl2_4 1.711(7) . ?
C1_4 Cl1_4 1.741(7) . ?
C1_4 H1A_4 0.9700 . ?
C1_4 H1B_4 0.9700 . ?
Sb1_5 F5_5 1.844(3) . ?
Sb1_5 F6_5 1.846(3) . ?
Sb1_5 F1_5 1.850(3) . ?
Sb1_5 F4_5 1.855(3) . ?
Sb1_5 F2_5 1.863(3) . ?
Sb1_5 F3_5 1.865(3) . ?
Sb1_6 F1_6 1.854(5) . ?
Sb1_6 F3_6 1.862(5) . ?
Sb1_6 F4_6 1.863(6) . ?
Sb1_6 F5_6 1.866(5) . ?
Sb1_6 F2_6 1.869(6) . ?
Sb1_6 F6_6 1.872(5) . ?
Sb1_6 F6_6 2.521(6) 2_656 ?
F3_6 F6_6 1.729(8) 2_656 ?
C1_6 Cl2_6 1.743(10) . ?
C1_6 Cl1_6 1.794(10) . ?
C1_6 H1A_6 0.9700 . ?
C1_6 H1B_6 0.9700 . ?
Sb1_7 F2_7 1.816(9) . ?
Sb1_7 F5_7 1.817(10) . ?
Sb1_7 F1_7 1.827(5) . ?
Sb1_7 F3_7 1.848(5) . ?
Sb1_7 F4_7 1.849(9) . ?
Sb1_7 F6_7 1.854(9) . ?

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
N1_3 Ge1 C1_1 114.60(15) . . ?
N1_3 Ge1 C1_2 114.84(16) . . ?
C1_1 Ge1 C1_2 130.56(17) . . ?
N1_3 Ge1 O1_1 83.34(13) . . ?
C1_1 Ge1 O1_1 92.84(14) . . ?
C1_2 Ge1 O1_1 93.10(15) . . ?
N1_3 Ge1 O1_2 84.73(13) . . ?
C1_1 Ge1 O1_2 89.91(15) . . ?
C1_2 Ge1 O1_2 94.12(15) . . ?
O1_1 Ge1 O1_2 167.82(12) . . ?
O1_1 P1_1 C3_1 108.95(18) . . ?
O1_1 P1_1 C16_1 109.7(2) . . ?
C3_1 P1_1 C16_1 111.8(2) . . ?
O1_1 P1_1 C13_1 109.18(18) . . ?
C3_1 P1_1 C13_1 108.4(2) . . ?
C16_1 P1_1 C13_1 108.8(2) . . ?
P1_1 O1_1 Ge1 135.14(18) . . ?
C10_1 C1_1 C2_1 116.8(4) . . ?
C10_1 C1_1 Ge1 117.2(3) . . ?
C2_1 C1_1 Ge1 125.8(3) . . ?
C7_1 C2_1 C3_1 115.0(4) . . ?
C7_1 C2_1 C1_1 115.7(4) . . ?
C3_1 C2_1 C1_1 129.3(4) . . ?
C4_1 C3_1 C2_1 120.0(4) . . ?
C4_1 C3_1 P1_1 119.0(4) . . ?
C2_1 C3_1 P1_1 119.8(3) . . ?
C3_1 C4_1 C5_1 122.7(5) . . ?
C3_1 C4_1 H4_1 118.6 . . ?
C5_1 C4_1 H4_1 118.6 . . ?
C6_1 C5_1 C4_1 118.8(4) . . ?
C6_1 C5_1 H5_1 120.6 . . ?
C4_1 C5_1 H5_1 120.6 . . ?
C5_1 C6_1 C7_1 119.6(4) . . ?
C5_1 C6_1 C11_1 131.4(5) . . ?
C7_1 C6_1 C11_1 108.9(4) . . ?
C8_1 C7_1 C6_1 111.9(4) . . ?
C8_1 C7_1 C2_1 124.5(4) . . ?
C6_1 C7_1 C2_1 123.7(4) . . ?
C9_1 C8_1 C7_1 118.7(4) . . ?
C9_1 C8_1 C12_1 132.4(5) . . ?
C7_1 C8_1 C12_1 108.9(4) . . ?
C8_1 C9_1 C10_1 118.0(4) . . ?
C8_1 C9_1 H9_1 121.0 . . ?
C10_1 C9_1 H9_1 121.0 . . ?
C1_1 C10_1 C9_1 125.9(4) . . ?
C1_1 C10_1 H10_1 117.0 . . ?
C9_1 C10_1 H10_1 117.0 . . ?
C6_1 C11_1 C12_1 104.8(4) . . ?
C6_1 C11_1 H11A_1 110.8 . . ?
C12_1 C11_1 H11A_1 110.8 . . ?
C6_1 C11_1 H11B_1 110.8 . . ?
C12_1 C11_1 H11B_1 110.8 . . ?
H11A_1 C11_1 H11B_1 108.9 . . ?
C8_1 C12_1 C11_1 105.1(4) . . ?
C8_1 C12_1 H12A_1 110.7 . . ?
C11_1 C12_1 H12A_1 110.7 . . ?
C8_1 C12_1 H12B_1 110.7 . . ?
C11_1 C12_1 H12B_1 110.7 . . ?
H12A_1 C12_1 H12B_1 108.8 . . ?
C15_1 C13_1 C14_1 111.8(4) . . ?
C15_1 C13_1 P1_1 113.3(3) . . ?
C14_1 C13_1 P1_1 110.4(3) . . ?
C15_1 C13_1 H13_1 107.0 . . ?
C14_1 C13_1 H13_1 107.0 . . ?
P1_1 C13_1 H13_1 107.0 . . ?
C13_1 C14_1 H14A_1 109.5 . . ?
C13_1 C14_1 H14B_1 109.5 . . ?
H14A_1 C14_1 H14B_1 109.5 . . ?
C13_1 C14_1 H14C_1 109.5 . . ?
H14A_1 C14_1 H14C_1 109.5 . . ?
H14B_1 C14_1 H14C_1 109.5 . . ?
C13_1 C15_1 H15A_1 109.5 . . ?
C13_1 C15_1 H15B_1 109.5 . . ?
H15A_1 C15_1 H15B_1 109.5 . . ?
C13_1 C15_1 H15C_1 109.5 . . ?
H15A_1 C15_1 H15C_1 109.5 . . ?
H15B_1 C15_1 H15C_1 109.5 . . ?
C18_1 C16_1 C17_1 111.7(4) . . ?
C18_1 C16_1 P1_1 109.9(3) . . ?
C17_1 C16_1 P1_1 110.9(3) . . ?
C18_1 C16_1 H16_1 108.1 . . ?
C17_1 C16_1 H16_1 108.1 . . ?
P1_1 C16_1 H16_1 108.1 . . ?
C16_1 C17_1 H17A_1 109.5 . . ?
C16_1 C17_1 H17B_1 109.5 . . ?
H17A_1 C17_1 H17B_1 109.5 . . ?
C16_1 C17_1 H17C_1 109.5 . . ?
H17A_1 C17_1 H17C_1 109.5 . . ?
H17B_1 C17_1 H17C_1 109.5 . . ?
C16_1 C18_1 H18A_1 109.5 . . ?
C16_1 C18_1 H18B_1 109.5 . . ?
H18A_1 C18_1 H18B_1 109.5 . . ?
C16_1 C18_1 H18C_1 109.5 . . ?
H18A_1 C18_1 H18C_1 109.5 . . ?
H18B_1 C18_1 H18C_1 109.5 . . ?
O1_2 P1_2 C3_2 108.21(19) . . ?
O1_2 P1_2 C13_2 108.5(2) . . ?
C3_2 P1_2 C13_2 112.2(2) . . ?
O1_2 P1_2 C16_2 111.0(2) . . ?
C3_2 P1_2 C16_2 109.7(2) . . ?
C13_2 P1_2 C16_2 107.3(2) . . ?
P1_2 O1_2 Ge1 136.86(18) . . ?
C10_2 C1_2 C2_2 117.5(4) . . ?
C10_2 C1_2 Ge1 117.0(3) . . ?
C2_2 C1_2 Ge1 125.4(3) . . ?
C7_2 C2_2 C3_2 113.6(4) . . ?
C7_2 C2_2 C1_2 115.7(4) . . ?
C3_2 C2_2 C1_2 130.7(4) . . ?
C4_2 C3_2 C2_2 120.4(4) . . ?
C4_2 C3_2 P1_2 117.0(3) . . ?
C2_2 C3_2 P1_2 122.6(3) . . ?
C5_2 C4_2 C3_2 123.6(5) . . ?
C5_2 C4_2 H4_2 118.2 . . ?
C3_2 C4_2 H4_2 118.2 . . ?
C6_2 C5_2 C4_2 118.0(4) . . ?
C6_2 C5_2 H5_2 121.0 . . ?
C4_2 C5_2 H5_2 121.0 . . ?
C5_2 C6_2 C7_2 119.4(4) . . ?
C5_2 C6_2 C11_2 131.0(4) . . ?
C7_2 C6_2 C11_2 109.6(4) . . ?
C8_2 C7_2 C6_2 110.5(4) . . ?
C8_2 C7_2 C2_2 124.5(4) . . ?
C6_2 C7_2 C2_2 125.0(4) . . ?
C9_2 C8_2 C7_2 119.1(4) . . ?
C9_2 C8_2 C12_2 131.1(4) . . ?
C7_2 C8_2 C12_2 109.7(4) . . ?
C8_2 C9_2 C10_2 117.6(4) . . ?
C8_2 C9_2 H9_2 121.2 . . ?
C10_2 C9_2 H9_2 121.2 . . ?
C1_2 C10_2 C9_2 125.4(4) . . ?
C1_2 C10_2 H10_2 117.3 . . ?
C9_2 C10_2 H10_2 117.3 . . ?
C6_2 C11_2 C12_2 105.1(4) . . ?
C6_2 C11_2 H11A_2 110.7 . . ?
C12_2 C11_2 H11A_2 110.7 . . ?
C6_2 C11_2 H11B_2 110.7 . . ?
C12_2 C11_2 H11B_2 110.7 . . ?
H11A_2 C11_2 H11B_2 108.8 . . ?
C8_2 C12_2 C11_2 104.4(4) . . ?
C8_2 C12_2 H12A_2 110.9 . . ?
C11_2 C12_2 H12A_2 110.9 . . ?
C8_2 C12_2 H12B_2 110.9 . . ?
C11_2 C12_2 H12B_2 110.9 . . ?
H12A_2 C12_2 H12B_2 108.9 . . ?
C15_2 C13_2 C14_2 110.3(5) . . ?
C15_2 C13_2 P1_2 111.6(3) . . ?
C14_2 C13_2 P1_2 114.8(4) . . ?
C15_2 C13_2 H13_2 106.5 . . ?
C14_2 C13_2 H13_2 106.5 . . ?
P1_2 C13_2 H13_2 106.5 . . ?
C13_2 C14_2 H14A_2 109.5 . . ?
C13_2 C14_2 H14B_2 109.5 . . ?
H14A_2 C14_2 H14B_2 109.5 . . ?
C13_2 C14_2 H14C_2 109.5 . . ?
H14A_2 C14_2 H14C_2 109.5 . . ?
H14B_2 C14_2 H14C_2 109.5 . . ?
C13_2 C15_2 H15A_2 109.5 . . ?
C13_2 C15_2 H15B_2 109.5 . . ?
H15A_2 C15_2 H15B_2 109.5 . . ?
C13_2 C15_2 H15C_2 109.5 . . ?
H15A_2 C15_2 H15C_2 109.5 . . ?
H15B_2 C15_2 H15C_2 109.5 . . ?
C18_2 C16_2 C17_2 111.7(4) . . ?
C18_2 C16_2 P1_2 115.2(3) . . ?
C17_2 C16_2 P1_2 109.0(3) . . ?
C18_2 C16_2 H16_2 106.8 . . ?
C17_2 C16_2 H16_2 106.8 . . ?
P1_2 C16_2 H16_2 106.8 . . ?
C16_2 C17_2 H17A_2 109.5 . . ?
C16_2 C17_2 H17B_2 109.5 . . ?
H17A_2 C17_2 H17B_2 109.5 . . ?
C16_2 C17_2 H17C_2 109.5 . . ?
H17A_2 C17_2 H17C_2 109.5 . . ?
H17B_2 C17_2 H17C_2 109.5 . . ?
C16_2 C18_2 H18A_2 109.5 . . ?
C16_2 C18_2 H18B_2 109.5 . . ?
H18A_2 C18_2 H18B_2 109.5 . . ?
C16_2 C18_2 H18C_2 109.5 . . ?
H18A_2 C18_2 H18C_2 109.5 . . ?
H18B_2 C18_2 H18C_2 109.5 . . ?
C1_3 N1_3 C5_3 117.7(4) . . ?
C1_3 N1_3 Ge1 122.2(3) . . ?
C5_3 N1_3 Ge1 120.0(3) . . ?
C3_3 N2_3 C7_3 121.0(4) . . ?
C3_3 N2_3 C6_3 122.2(4) . . ?
C7_3 N2_3 C6_3 116.8(4) . . ?
N1_3 C1_3 C2_3 123.4(4) . . ?
N1_3 C1_3 H1_3 118.3 . . ?
C2_3 C1_3 H1_3 118.3 . . ?
C1_3 C2_3 C3_3 119.8(4) . . ?
C1_3 C2_3 H2_3 120.1 . . ?
C3_3 C2_3 H2_3 120.1 . . ?
N2_3 C3_3 C4_3 121.5(4) . . ?
N2_3 C3_3 C2_3 122.6(4) . . ?
C4_3 C3_3 C2_3 115.9(4) . . ?
C5_3 C4_3 C3_3 120.7(4) . . ?
C5_3 C4_3 H4_3 119.7 . . ?
C3_3 C4_3 H4_3 119.7 . . ?
N1_3 C5_3 C4_3 122.4(4) . . ?
N1_3 C5_3 H5_3 118.8 . . ?
C4_3 C5_3 H5_3 118.8 . . ?
N2_3 C6_3 H6A_3 109.5 . . ?
N2_3 C6_3 H6B_3 109.5 . . ?
H6A_3 C6_3 H6B_3 109.5 . . ?
N2_3 C6_3 H6C_3 109.5 . . ?
H6A_3 C6_3 H6C_3 109.5 . . ?
H6B_3 C6_3 H6C_3 109.5 . . ?
N2_3 C7_3 H7A_3 109.5 . . ?
N2_3 C7_3 H7B_3 109.5 . . ?
H7A_3 C7_3 H7B_3 109.5 . . ?
N2_3 C7_3 H7C_3 109.5 . . ?
H7A_3 C7_3 H7C_3 109.5 . . ?
H7B_3 C7_3 H7C_3 109.5 . . ?
Cl2_4 C1_4 Cl1_4 113.1(3) . . ?
Cl2_4 C1_4 H1A_4 109.0 . . ?
Cl1_4 C1_4 H1A_4 109.0 . . ?
Cl2_4 C1_4 H1B_4 109.0 . . ?
Cl1_4 C1_4 H1B_4 109.0 . . ?
H1A_4 C1_4 H1B_4 107.8 . . ?
F5_5 Sb1_5 F6_5 178.5(2) . . ?
F5_5 Sb1_5 F1_5 92.4(2) . . ?
F6_5 Sb1_5 F1_5 89.0(2) . . ?
F5_5 Sb1_5 F4_5 89.86(18) . . ?
F6_5 Sb1_5 F4_5 90.71(18) . . ?
F1_5 Sb1_5 F4_5 91.01(16) . . ?
F5_5 Sb1_5 F2_5 89.89(16) . . ?
F6_5 Sb1_5 F2_5 89.53(16) . . ?
F1_5 Sb1_5 F2_5 89.49(15) . . ?
F4_5 Sb1_5 F2_5 179.45(15) . . ?
F5_5 Sb1_5 F3_5 89.8(2) . . ?
F6_5 Sb1_5 F3_5 88.82(18) . . ?
F1_5 Sb1_5 F3_5 177.7(2) . . ?
F4_5 Sb1_5 F3_5 89.75(15) . . ?
F2_5 Sb1_5 F3_5 89.76(14) . . ?
F1_6 Sb1_6 F3_6 179.7(3) . . ?
F1_6 Sb1_6 F4_6 91.0(3) . . ?
F3_6 Sb1_6 F4_6 89.2(3) . . ?
F1_6 Sb1_6 F5_6 90.2(3) . . ?
F3_6 Sb1_6 F5_6 90.1(3) . . ?
F4_6 Sb1_6 F5_6 91.7(3) . . ?
F1_6 Sb1_6 F2_6 90.0(3) . . ?
F3_6 Sb1_6 F2_6 89.8(3) . . ?
F4_6 Sb1_6 F2_6 178.9(3) . . ?
F5_6 Sb1_6 F2_6 87.8(3) . . ?
F1_6 Sb1_6 F6_6 89.5(3) . . ?
F3_6 Sb1_6 F6_6 90.2(3) . . ?
F4_6 Sb1_6 F6_6 90.6(3) . . ?
F5_6 Sb1_6 F6_6 177.7(3) . . ?
F2_6 Sb1_6 F6_6 89.9(3) . . ?
F1_6 Sb1_6 F6_6 136.4(2) . 2_656 ?
F3_6 Sb1_6 F6_6 43.3(2) . 2_656 ?
F4_6 Sb1_6 F6_6 89.4(2) . 2_656 ?
F5_6 Sb1_6 F6_6 133.4(2) . 2_656 ?
F2_6 Sb1_6 F6_6 90.2(2) . 2_656 ?
F6_6 Sb1_6 F6_6 46.9(3) . 2_656 ?
F6_6 F3_6 Sb1_6 89.1(3) 2_656 . ?
F3_6 F6_6 Sb1_6 140.7(4) 2_656 . ?
F3_6 F6_6 Sb1_6 47.6(2) 2_656 2_656 ?
Sb1_6 F6_6 Sb1_6 120.7(3) . 2_656 ?
Cl2_6 C1_6 Cl1_6 110.6(6) . . ?
Cl2_6 C1_6 H1A_6 109.5 . . ?
Cl1_6 C1_6 H1A_6 109.5 . . ?
Cl2_6 C1_6 H1B_6 109.5 . . ?
Cl1_6 C1_6 H1B_6 109.5 . . ?
H1A_6 C1_6 H1B_6 108.1 . . ?
F2_7 Sb1_7 F5_7 96.7(8) . . ?
F2_7 Sb1_7 F1_7 93.0(8) . . ?
F5_7 Sb1_7 F1_7 95.2(8) . . ?
F2_7 Sb1_7 F3_7 91.6(5) . . ?
F5_7 Sb1_7 F3_7 91.0(5) . . ?
F1_7 Sb1_7 F3_7 171.7(7) . . ?
F2_7 Sb1_7 F4_7 177.1(9) . . ?
F5_7 Sb1_7 F4_7 86.0(7) . . ?
F1_7 Sb1_7 F4_7 87.5(8) . . ?
F3_7 Sb1_7 F4_7 87.5(5) . . ?
F2_7 Sb1_7 F6_7 86.4(7) . . ?
F5_7 Sb1_7 F6_7 176.6(7) . . ?
F1_7 Sb1_7 F6_7 85.9(8) . . ?
F3_7 Sb1_7 F6_7 87.6(5) . . ?
F4_7 Sb1_7 F6_7 90.8(6) . . ?

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
C3_1 P1_1 O1_1 Ge1 14.6(3) . . . . ?
C16_1 P1_1 O1_1 Ge1 137.2(3) . . . . ?
C13_1 P1_1 O1_1 Ge1 -103.7(3) . . . . ?
C10_1 C1_1 C2_1 C7_1 6.8(5) . . . . ?
Ge1 C1_1 C2_1 C7_1 -167.0(3) . . . . ?
C10_1 C1_1 C2_1 C3_1 -172.5(4) . . . . ?
Ge1 C1_1 C2_1 C3_1 13.8(6) . . . . ?
C7_1 C2_1 C3_1 C4_1 4.7(6) . . . . ?
C1_1 C2_1 C3_1 C4_1 -176.1(4) . . . . ?
C7_1 C2_1 C3_1 P1_1 -162.9(3) . . . . ?
C1_1 C2_1 C3_1 P1_1 16.4(6) . . . . ?
O1_1 P1_1 C3_1 C4_1 164.2(3) . . . . ?
C16_1 P1_1 C3_1 C4_1 42.9(4) . . . . ?
C13_1 P1_1 C3_1 C4_1 -77.0(4) . . . . ?
O1_1 P1_1 C3_1 C2_1 -28.1(4) . . . . ?
C16_1 P1_1 C3_1 C2_1 -149.5(3) . . . . ?
C13_1 P1_1 C3_1 C2_1 90.6(4) . . . . ?
C2_1 C3_1 C4_1 C5_1 -2.0(7) . . . . ?
P1_1 C3_1 C4_1 C5_1 165.6(4) . . . . ?
C3_1 C4_1 C5_1 C6_1 -2.0(7) . . . . ?
C4_1 C5_1 C6_1 C7_1 2.8(7) . . . . ?
C4_1 C5_1 C6_1 C11_1 -174.4(5) . . . . ?
C5_1 C6_1 C7_1 C8_1 -179.1(4) . . . . ?
C11_1 C6_1 C7_1 C8_1 -1.3(5) . . . . ?
C5_1 C6_1 C7_1 C2_1 0.2(7) . . . . ?
C11_1 C6_1 C7_1 C2_1 178.0(4) . . . . ?
C3_1 C2_1 C7_1 C8_1 175.3(4) . . . . ?
C1_1 C2_1 C7_1 C8_1 -4.1(6) . . . . ?
C3_1 C2_1 C7_1 C6_1 -3.9(6) . . . . ?
C1_1 C2_1 C7_1 C6_1 176.7(4) . . . . ?
C6_1 C7_1 C8_1 C9_1 177.2(4) . . . . ?
C2_1 C7_1 C8_1 C9_1 -2.1(7) . . . . ?
C6_1 C7_1 C8_1 C12_1 -2.7(5) . . . . ?
C2_1 C7_1 C8_1 C12_1 178.0(4) . . . . ?
C7_1 C8_1 C9_1 C10_1 5.3(6) . . . . ?
C12_1 C8_1 C9_1 C10_1 -174.9(5) . . . . ?
C2_1 C1_1 C10_1 C9_1 -4.0(6) . . . . ?
Ge1 C1_1 C10_1 C9_1 170.3(3) . . . . ?
C8_1 C9_1 C10_1 C1_1 -2.3(7) . . . . ?
C5_1 C6_1 C11_1 C12_1 -178.0(5) . . . . ?
C7_1 C6_1 C11_1 C12_1 4.6(5) . . . . ?
C9_1 C8_1 C12_1 C11_1 -174.5(5) . . . . ?
C7_1 C8_1 C12_1 C11_1 5.4(5) . . . . ?
C6_1 C11_1 C12_1 C8_1 -5.9(5) . . . . ?
O1_1 P1_1 C13_1 C15_1 -177.4(3) . . . . ?
C3_1 P1_1 C13_1 C15_1 64.0(4) . . . . ?
C16_1 P1_1 C13_1 C15_1 -57.8(4) . . . . ?
O1_1 P1_1 C13_1 C14_1 56.3(4) . . . . ?
C3_1 P1_1 C13_1 C14_1 -62.3(4) . . . . ?
C16_1 P1_1 C13_1 C14_1 175.9(3) . . . . ?
O1_1 P1_1 C16_1 C18_1 57.0(4) . . . . ?
C3_1 P1_1 C16_1 C18_1 178.0(3) . . . . ?
C13_1 P1_1 C16_1 C18_1 -62.3(4) . . . . ?
O1_1 P1_1 C16_1 C17_1 -66.9(4) . . . . ?
C3_1 P1_1 C16_1 C17_1 54.0(4) . . . . ?
C13_1 P1_1 C16_1 C17_1 173.7(3) . . . . ?
C3_2 P1_2 O1_2 Ge1 -15.3(3) . . . . ?
C13_2 P1_2 O1_2 Ge1 106.6(3) . . . . ?
C16_2 P1_2 O1_2 Ge1 -135.8(3) . . . . ?
C10_2 C1_2 C2_2 C7_2 -4.7(6) . . . . ?
Ge1 C1_2 C2_2 C7_2 171.1(3) . . . . ?
C10_2 C1_2 C2_2 C3_2 174.8(4) . . . . ?
Ge1 C1_2 C2_2 C3_2 -9.4(7) . . . . ?
C7_2 C2_2 C3_2 C4_2 -1.9(6) . . . . ?
C1_2 C2_2 C3_2 C4_2 178.5(4) . . . . ?
C7_2 C2_2 C3_2 P1_2 176.3(3) . . . . ?
C1_2 C2_2 C3_2 P1_2 -3.2(7) . . . . ?
O1_2 P1_2 C3_2 C4_2 -167.8(3) . . . . ?
C13_2 P1_2 C3_2 C4_2 72.5(4) . . . . ?
C16_2 P1_2 C3_2 C4_2 -46.5(4) . . . . ?
O1_2 P1_2 C3_2 C2_2 13.9(4) . . . . ?
C13_2 P1_2 C3_2 C2_2 -105.7(4) . . . . ?
C16_2 P1_2 C3_2 C2_2 135.2(4) . . . . ?
C2_2 C3_2 C4_2 C5_2 0.5(7) . . . . ?
P1_2 C3_2 C4_2 C5_2 -177.8(4) . . . . ?
C3_2 C4_2 C5_2 C6_2 1.7(7) . . . . ?
C4_2 C5_2 C6_2 C7_2 -2.3(7) . . . . ?
C4_2 C5_2 C6_2 C11_2 176.5(5) . . . . ?
C5_2 C6_2 C7_2 C8_2 -179.9(4) . . . . ?
C11_2 C6_2 C7_2 C8_2 1.1(5) . . . . ?
C5_2 C6_2 C7_2 C2_2 0.8(7) . . . . ?
C11_2 C6_2 C7_2 C2_2 -178.2(4) . . . . ?
C3_2 C2_2 C7_2 C8_2 -177.9(4) . . . . ?
C1_2 C2_2 C7_2 C8_2 1.7(6) . . . . ?
C3_2 C2_2 C7_2 C6_2 1.3(6) . . . . ?
C1_2 C2_2 C7_2 C6_2 -179.0(4) . . . . ?
C6_2 C7_2 C8_2 C9_2 -176.9(4) . . . . ?
C2_2 C7_2 C8_2 C9_2 2.5(7) . . . . ?
C6_2 C7_2 C8_2 C12_2 4.4(5) . . . . ?
C2_2 C7_2 C8_2 C12_2 -176.3(4) . . . . ?
C7_2 C8_2 C9_2 C10_2 -3.2(6) . . . . ?
C12_2 C8_2 C9_2 C10_2 175.2(5) . . . . ?
C2_2 C1_2 C10_2 C9_2 4.2(7) . . . . ?
Ge1 C1_2 C10_2 C9_2 -172.0(4) . . . . ?
C8_2 C9_2 C10_2 C1_2 -0.1(7) . . . . ?
C5_2 C6_2 C11_2 C12_2 175.2(5) . . . . ?
C7_2 C6_2 C11_2 C12_2 -6.0(5) . . . . ?
C9_2 C8_2 C12_2 C11_2 173.6(5) . . . . ?
C7_2 C8_2 C12_2 C11_2 -7.8(5) . . . . ?
C6_2 C11_2 C12_2 C8_2 8.1(5) . . . . ?
O1_2 P1_2 C13_2 C15_2 -58.8(4) . . . . ?
C3_2 P1_2 C13_2 C15_2 60.7(4) . . . . ?
C16_2 P1_2 C13_2 C15_2 -178.8(4) . . . . ?
O1_2 P1_2 C13_2 C14_2 174.8(5) . . . . ?
C3_2 P1_2 C13_2 C14_2 -65.7(5) . . . . ?
C16_2 P1_2 C13_2 C14_2 54.8(5) . . . . ?
O1_2 P1_2 C16_2 C18_2 78.8(4) . . . . ?
C3_2 P1_2 C16_2 C18_2 -40.8(4) . . . . ?
C13_2 P1_2 C16_2 C18_2 -162.8(3) . . . . ?
O1_2 P1_2 C16_2 C17_2 -47.6(4) . . . . ?
C3_2 P1_2 C16_2 C17_2 -167.2(3) . . . . ?
C13_2 P1_2 C16_2 C17_2 70.7(4) . . . . ?
C5_3 N1_3 C1_3 C2_3 1.7(7) . . . . ?
Ge1 N1_3 C1_3 C2_3 -175.4(4) . . . . ?
N1_3 C1_3 C2_3 C3_3 0.3(7) . . . . ?
C7_3 N2_3 C3_3 C4_3 4.6(7) . . . . ?
C6_3 N2_3 C3_3 C4_3 -178.1(4) . . . . ?
C7_3 N2_3 C3_3 C2_3 -176.1(4) . . . . ?
C6_3 N2_3 C3_3 C2_3 1.2(7) . . . . ?
C1_3 C2_3 C3_3 N2_3 177.6(4) . . . . ?
C1_3 C2_3 C3_3 C4_3 -3.1(7) . . . . ?
N2_3 C3_3 C4_3 C5_3 -176.7(4) . . . . ?
C2_3 C3_3 C4_3 C5_3 4.0(6) . . . . ?
C1_3 N1_3 C5_3 C4_3 -0.7(6) . . . . ?
Ge1 N1_3 C5_3 C4_3 176.5(3) . . . . ?
C3_3 C4_3 C5_3 N1_3 -2.2(7) . . . . ?
F4_6 Sb1_6 F3_6 F6_6 90.0(3) . . . 2_656 ?
F5_6 Sb1_6 F3_6 F6_6 -178.3(3) . . . 2_656 ?
F2_6 Sb1_6 F3_6 F6_6 -90.5(3) . . . 2_656 ?
F6_6 Sb1_6 F3_6 F6_6 -0.6(2) . . . 2_656 ?
F1_6 Sb1_6 F6_6 F3_6 -86.8(7) . . . 2_656 ?
F3_6 Sb1_6 F6_6 F3_6 93.4(6) . . . 2_656 ?
F4_6 Sb1_6 F6_6 F3_6 4.2(7) . . . 2_656 ?
F2_6 Sb1_6 F6_6 F3_6 -176.8(7) . . . 2_656 ?
F6_6 Sb1_6 F6_6 F3_6 92.8(6) 2_656 . . 2_656 ?
F1_6 Sb1_6 F6_6 Sb1_6 -146.0(4) . . . 2_656 ?
F3_6 Sb1_6 F6_6 Sb1_6 34.2(3) . . . 2_656 ?
F4_6 Sb1_6 F6_6 Sb1_6 -55.0(4) . . . 2_656 ?
F2_6 Sb1_6 F6_6 Sb1_6 124.0(4) . . . 2_656 ?
F6_6 Sb1_6 F6_6 Sb1_6 33.6(3) 2_656 . . 2_656 ?

_refine_diff_density_max         0.825
_refine_diff_density_min         -0.846
_refine_diff_density_rms         0.104



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_new
_database_code_depnum_ccdc_archive 'CCDC 2416606'
loop_
_audit_author_name
_audit_author_address
'Moumita Majumdar'
;Indian Institute of Science Education and Research, Pune
India
;
_audit_update_record             
;
2025-01-13 deposited with the CCDC.	2025-03-27 downloaded from the CCDC.
;
_audit_creation_date             2025-01-13
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H44 F Ge O2 P2, C F3 O3 S, 2(C4 H8 O)'
_chemical_formula_sum            'C45 H60 F4 Ge O7 P2 S'
_chemical_formula_weight         955.52
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.3052(13)
_cell_length_b                   12.8654(14)
_cell_length_c                   15.2505(16)
_cell_angle_alpha                73.204(3)
_cell_angle_beta                 72.985(3)
_cell_angle_gamma                81.658(3)
_cell_volume                     2205.3(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9030
_cell_measurement_temperature    150
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   0.957
_shelx_estimated_absorpt_T_min   0.933
_exptl_absorpt_coefficient_mu    0.882
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6763
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1031 before and 0.0649 after correction.
The Ratio of minimum to maximum transmission is 0.9075.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            53849
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.148
_diffrn_reflns_theta_max         25.148
_diffrn_reflns_theta_min         1.942
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6367
_reflns_number_total             7874
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.558
_refine_diff_density_min         -0.435
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     549
_refine_ls_number_reflns         7874
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0402
_refine_ls_restrained_S_all      1.056
_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)+(0.0289P)²+3.9104P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.0943
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C35(H35), C28(H28), C31(H31), C25(H25)
2.b Secondary CH2 refined with riding coordinates:
 C22(H22A,H22B), C13(H13A,H13B), C1(H1A,H1B), C10(H10A,H10B), C44(H44A,H44B),
 C45(H45A,H45B), C40(H40A,H40B), C43(H43A,H43B), C42(H42A,H42B), C38(H38A,H38B),
  C39(H39A,H39B), C41(H41A,H41B)
2.c Aromatic/amide H refined with riding coordinates:
 C16(H16), C15(H15), C4(H4), C19(H19), C20(H20), C7(H7), C3(H3), C8(H8)
2.d Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C29(H29A,H29B,H29C), C27(H27A,H27B,H27C), C32(H32A,H32B,
 H32C), C34(H34A,H34B,H34C), C33(H33A,H33B,H33C), C30(H30A,H30B,H30C), C26(H26A,
 H26B,H26C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.28074(3) 0.74021(2) 0.48283(2) 0.01574(9) Uani 1 1 d . . . . .
P1 P 0.27696(6) 0.92996(6) 0.29155(5) 0.01547(17) Uani 1 1 d . . . . .
P2 P 0.24164(6) 0.57335(6) 0.69106(5) 0.01630(17) Uani 1 1 d . . . . .
S1 S 0.19991(7) 0.70315(7) 0.09317(6) 0.02781(19) Uani 1 1 d . . . . .
F1 F 0.16472(14) 0.81432(14) 0.53930(12) 0.0240(4) Uani 1 1 d . . . . .
O2 O 0.29948(16) 0.66744(16) 0.61224(13) 0.0184(4) Uani 1 1 d . . . . .
O1 O 0.24209(16) 0.82266(16) 0.36395(14) 0.0184(4) Uani 1 1 d . . . . .
F2 F 0.32520(19) 0.68640(18) -0.07449(15) 0.0497(6) Uani 1 1 d . . . . .
F3 F 0.3200(2) 0.84399(18) -0.05079(15) 0.0542(6) Uani 1 1 d . . . . .
F4 F 0.1768(2) 0.79540(19) -0.07872(15) 0.0536(6) Uani 1 1 d . . . . .
O3 O 0.1336(2) 0.7946(2) 0.12235(16) 0.0365(6) Uani 1 1 d . . . . .
O5 O 0.1359(2) 0.6164(2) 0.09664(18) 0.0428(6) Uani 1 1 d . . . . .
O4 O 0.3007(2) 0.6698(2) 0.12636(17) 0.0387(6) Uani 1 1 d . . . . .
O7 O 0.2719(2) 1.2642(2) 0.11746(18) 0.0429(6) Uani 1 1 d . . . . .
C23 C 0.1445(2) 0.4402(2) 0.5190(2) 0.0175(6) Uani 1 1 d . . . . .
C24 C 0.1853(2) 0.5215(2) 0.54445(19) 0.0144(6) Uani 1 1 d . . . . .
C16 C 0.2594(2) 0.5977(2) 0.3757(2) 0.0204(7) Uani 1 1 d . . . . .
H16 H 0.298358 0.653197 0.324834 0.024 Uiso 1 1 calc R U . . .
O6 O 0.2291(3) 0.2394(2) 0.8689(2) 0.0563(8) Uani 1 1 d . . . . .
C17 C 0.2426(2) 0.6063(2) 0.4673(2) 0.0161(6) Uani 1 1 d . . . . .
C12 C 0.4487(2) 0.9130(2) 0.38342(19) 0.0157(6) Uani 1 1 d . . . . .
C35 C 0.3504(3) 0.4741(2) 0.7282(2) 0.0221(7) Uani 1 1 d . . . . .
H35 H 0.311906 0.414735 0.782216 0.026 Uiso 1 1 calc R U . . .
C11 C 0.5496(2) 0.9566(2) 0.3795(2) 0.0184(6) Uani 1 1 d . . . . .
C14 C 0.1627(2) 0.4350(2) 0.4251(2) 0.0191(6) Uani 1 1 d . . . . .
C5 C 0.4249(2) 0.8077(2) 0.4480(2) 0.0169(6) Uani 1 1 d . . . . .
C21 C 0.0785(2) 0.3560(2) 0.5843(2) 0.0200(7) Uani 1 1 d . . . . .
C15 C 0.2228(3) 0.5129(2) 0.3526(2) 0.0222(7) Uani 1 1 d . . . . .
H15 H 0.239434 0.509764 0.288550 0.027 Uiso 1 1 calc R U . . .
C9 C 0.5834(3) 1.0615(2) 0.3256(2) 0.0217(7) Uani 1 1 d . . . . .
C18 C 0.1621(2) 0.5067(2) 0.6451(2) 0.0171(6) Uani 1 1 d . . . . .
C4 C 0.5064(2) 0.7544(2) 0.4950(2) 0.0206(7) Uani 1 1 d . . . . .
H4 H 0.491752 0.683978 0.536426 0.025 Uiso 1 1 calc R U . . .
C6 C 0.3845(2) 0.9820(2) 0.3213(2) 0.0175(6) Uani 1 1 d . . . . .
C28 C 0.1558(2) 1.0279(2) 0.2882(2) 0.0194(6) Uani 1 1 d . . . . .
H28 H 0.181990 1.096736 0.239624 0.023 Uiso 1 1 calc R U . . .
C2 C 0.6301(2) 0.9000(3) 0.4290(2) 0.0207(7) Uani 1 1 d . . . . .
C22 C 0.0509(3) 0.2858(3) 0.5307(2) 0.0237(7) Uani 1 1 d . . . . .
H22A H -0.032493 0.284054 0.543250 0.028 Uiso 1 1 calc R U . . .
H22B H 0.083953 0.210393 0.549393 0.028 Uiso 1 1 calc R U . . .
C19 C 0.0956(3) 0.4243(3) 0.7082(2) 0.0233(7) Uani 1 1 d . . . . .
H19 H 0.080072 0.417841 0.774309 0.028 Uiso 1 1 calc R U . . .
C20 C 0.0500(3) 0.3499(3) 0.6790(2) 0.0242(7) Uani 1 1 d . . . . .
H20 H 0.000899 0.297070 0.723811 0.029 Uiso 1 1 calc R U . . .
C13 C 0.1050(3) 0.3397(3) 0.4251(2) 0.0259(7) Uani 1 1 d . . . . .
H13A H 0.160980 0.288158 0.395228 0.031 Uiso 1 1 calc R U . . .
H13B H 0.045881 0.364376 0.389926 0.031 Uiso 1 1 calc R U . . .
C7 C 0.4169(3) 1.0860(2) 0.2704(2) 0.0229(7) Uani 1 1 d . . . . .
H7 H 0.370838 1.130922 0.231922 0.028 Uiso 1 1 calc R U . . .
C3 C 0.6094(3) 0.7976(3) 0.4853(2) 0.0248(7) Uani 1 1 d . . . . .
H3 H 0.663354 0.756095 0.517414 0.030 Uiso 1 1 calc R U . . .
C8 C 0.5147(3) 1.1278(3) 0.2731(2) 0.0245(7) Uani 1 1 d . . . . .
H8 H 0.532803 1.200356 0.239367 0.029 Uiso 1 1 calc R U . . .
C1 C 0.7274(3) 0.9713(3) 0.4060(2) 0.0312(8) Uani 1 1 d . . . . .
H1A H 0.800009 0.936819 0.374761 0.037 Uiso 1 1 calc R U . . .
H1B H 0.735442 0.985013 0.464350 0.037 Uiso 1 1 calc R U . . .
C36 C 0.4164(3) 0.4242(3) 0.6467(2) 0.0293(8) Uani 1 1 d . . . . .
H36A H 0.364185 0.387838 0.629369 0.044 Uiso 1 1 calc R U . . .
H36B H 0.475870 0.371130 0.666721 0.044 Uiso 1 1 calc R U . . .
H36C H 0.451578 0.481770 0.591655 0.044 Uiso 1 1 calc R U . . .
C10 C 0.6948(3) 1.0787(3) 0.3378(2) 0.0267(7) Uani 1 1 d . . . . .
H10A H 0.687389 1.140855 0.365648 0.032 Uiso 1 1 calc R U . . .
H10B H 0.753197 1.093216 0.276025 0.032 Uiso 1 1 calc R U . . .
C31 C 0.1577(3) 0.6243(3) 0.7913(2) 0.0229(7) Uani 1 1 d . . . . .
H31 H 0.208917 0.669923 0.802470 0.028 Uiso 1 1 calc R U . . .
C25 C 0.3353(2) 0.9028(3) 0.1763(2) 0.0217(7) Uani 1 1 d . . . . .
H25 H 0.279342 0.860195 0.167431 0.026 Uiso 1 1 calc R U . . .
C29 C 0.0660(3) 0.9840(3) 0.2587(3) 0.0319(8) Uani 1 1 d . . . . .
H29A H 0.098640 0.972764 0.195067 0.048 Uiso 1 1 calc R U . . .
H29B H -0.000142 1.036621 0.258167 0.048 Uiso 1 1 calc R U . . .
H29C H 0.042096 0.914736 0.304060 0.048 Uiso 1 1 calc R U . . .
C27 C 0.4462(3) 0.8309(3) 0.1742(2) 0.0317(8) Uani 1 1 d . . . . .
H27A H 0.506137 0.873126 0.174646 0.048 Uiso 1 1 calc R U . . .
H27B H 0.469115 0.805110 0.116476 0.048 Uiso 1 1 calc R U . . .
H27C H 0.434423 0.768336 0.230110 0.048 Uiso 1 1 calc R U . . .
C37 C 0.2582(3) 0.7598(3) -0.0332(2) 0.0336(8) Uani 1 1 d . . . . .
C32 C 0.1188(3) 0.5388(3) 0.8856(2) 0.0337(8) Uani 1 1 d . . . . .
H32A H 0.055835 0.501545 0.883624 0.051 Uiso 1 1 calc R U . . .
H32B H 0.093208 0.574462 0.937571 0.051 Uiso 1 1 calc R U . . .
H32C H 0.182446 0.485666 0.895943 0.051 Uiso 1 1 calc R U . . .
C34 C 0.4302(3) 0.5243(3) 0.7628(2) 0.0312(8) Uani 1 1 d . . . . .
H34A H 0.466912 0.584452 0.711498 0.047 Uiso 1 1 calc R U . . .
H34B H 0.488512 0.468804 0.781667 0.047 Uiso 1 1 calc R U . . .
H34C H 0.386251 0.551630 0.817397 0.047 Uiso 1 1 calc R U . . .
C33 C 0.0583(3) 0.7020(3) 0.7660(2) 0.0358(9) Uani 1 1 d . . . . .
H33A H 0.087095 0.759050 0.708166 0.054 Uiso 1 1 calc R U . . .
H33B H 0.020046 0.735182 0.818314 0.054 Uiso 1 1 calc R U . . .
H33C H 0.003966 0.661424 0.755169 0.054 Uiso 1 1 calc R U . . .
C30 C 0.1071(3) 1.0527(3) 0.3848(2) 0.0355(9) Uani 1 1 d . . . . .
H30A H 0.082682 0.985601 0.433366 0.053 Uiso 1 1 calc R U . . .
H30B H 0.041714 1.105916 0.382454 0.053 Uiso 1 1 calc R U . . .
H30C H 0.165755 1.082559 0.400516 0.053 Uiso 1 1 calc R U . . .
C26 C 0.3527(3) 1.0047(3) 0.0934(2) 0.0324(8) Uani 1 1 d . . . . .
H26A H 0.282511 1.052147 0.098865 0.049 Uiso 1 1 calc R U . . .
H26B H 0.371939 0.983821 0.033501 0.049 Uiso 1 1 calc R U . . .
H26C H 0.414891 1.043491 0.094721 0.049 Uiso 1 1 calc R U . . .
C44 C 0.3717(3) 1.4020(3) 0.1242(3) 0.0405(9) Uani 1 1 d . . . . .
H44A H 0.431346 1.362203 0.155318 0.049 Uiso 1 1 calc R U . . .
H44B H 0.361169 1.478064 0.129087 0.049 Uiso 1 1 calc R U . . .
C45 C 0.2626(3) 1.3467(3) 0.1650(3) 0.0460(10) Uani 1 1 d . . . . .
H45A H 0.250564 1.314242 0.234148 0.055 Uiso 1 1 calc R U . . .
H45B H 0.197535 1.399448 0.154614 0.055 Uiso 1 1 calc R U . . .
C40 C 0.1036(4) 0.1026(3) 0.9585(3) 0.0526(11) Uani 1 1 d . . . . .
H40A H 0.020944 0.093713 0.985869 0.063 Uiso 1 1 calc R U . . .
H40B H 0.146067 0.047805 0.998973 0.063 Uiso 1 1 calc R U . . .
C43 C 0.3994(4) 1.3967(4) 0.0223(3) 0.0531(11) Uani 1 1 d . . . . .
H43A H 0.357526 1.456448 -0.014782 0.064 Uiso 1 1 calc R U . . .
H43B H 0.482148 1.401009 -0.008380 0.064 Uiso 1 1 calc R U . . .
C42 C 0.3620(4) 1.2908(4) 0.0303(3) 0.0548(12) Uani 1 1 d . . . . .
H42A H 0.333444 1.294003 -0.024797 0.066 Uiso 1 1 calc R U . . .
H42B H 0.426158 1.234743 0.032196 0.066 Uiso 1 1 calc R U . . .
C38 C 0.2446(4) 0.1611(4) 0.8161(4) 0.0605(13) Uani 1 1 d . . . . .
H38A H 0.314732 0.113864 0.821306 0.073 Uiso 1 1 calc R U . . .
H38B H 0.251321 0.197701 0.748218 0.073 Uiso 1 1 calc R U . . .
C39 C 0.1416(4) 0.0944(3) 0.8576(3) 0.0544(11) Uani 1 1 d . . . . .
H39A H 0.081646 0.125339 0.824147 0.065 Uiso 1 1 calc R U . . .
H39B H 0.161951 0.017952 0.854675 0.065 Uiso 1 1 calc R U . . .
C41 C 0.1321(4) 0.2154(3) 0.9474(3) 0.0508(11) Uani 1 1 d . . . . .
H41A H 0.067253 0.267794 0.935972 0.061 Uiso 1 1 calc R U . . .
H41B H 0.148786 0.220313 1.005703 0.061 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 1.7461(16) . ?
Ge1 O2 1.9901(19) . ?
Ge1 O1 1.9711(19) . ?
Ge1 C17 1.944(3) . ?
Ge1 C5 1.952(3) . ?
P1 O1 1.524(2) . ?
P1 C6 1.786(3) . ?
P1 C28 1.810(3) . ?
P1 C25 1.808(3) . ?
P2 O2 1.525(2) . ?
P2 C35 1.809(3) . ?
P2 C18 1.783(3) . ?
P2 C31 1.814(3) . ?
S1 O3 1.435(2) . ?
S1 O5 1.437(3) . ?
S1 O4 1.437(3) . ?
S1 C37 1.814(3) . ?
F2 C37 1.335(4) . ?
F3 C37 1.332(4) . ?
F4 C37 1.336(4) . ?
O7 C45 1.423(4) . ?
O7 C42 1.448(4) . ?
C23 C24 1.413(4) . ?
C23 C14 1.404(4) . ?
C23 C21 1.408(4) . ?
C24 C17 1.438(4) . ?
C24 C18 1.436(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.385(4) . ?
C16 C15 1.405(4) . ?
O6 C38 1.422(5) . ?
O6 C41 1.418(5) . ?
C12 C11 1.415(4) . ?
C12 C5 1.437(4) . ?
C12 C6 1.434(4) . ?
C35 H35 1.0000 . ?
C35 C36 1.528(4) . ?
C35 C34 1.530(4) . ?
C11 C9 1.411(4) . ?
C11 C2 1.410(4) . ?
C14 C15 1.368(4) . ?
C14 C13 1.502(4) . ?
C5 C4 1.388(4) . ?
C21 C22 1.508(4) . ?
C21 C20 1.365(4) . ?
C15 H15 0.9500 . ?
C9 C8 1.369(4) . ?
C9 C10 1.492(4) . ?
C18 C19 1.386(4) . ?
C4 H4 0.9500 . ?
C4 C3 1.409(4) . ?
C6 C7 1.388(4) . ?
C28 H28 1.0000 . ?
C28 C29 1.537(4) . ?
C28 C30 1.527(4) . ?
C2 C3 1.362(4) . ?
C2 C1 1.512(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C13 1.543(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.407(4) . ?
C20 H20 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C7 H7 0.9500 . ?
C7 C8 1.403(4) . ?
C3 H3 0.9500 . ?
C8 H8 0.9500 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C10 1.550(5) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C31 H31 1.0000 . ?
C31 C32 1.531(4) . ?
C31 C33 1.531(5) . ?
C25 H25 1.0000 . ?
C25 C27 1.532(4) . ?
C25 C26 1.525(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C45 1.493(5) . ?
C44 C43 1.510(5) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C39 1.502(6) . ?
C40 C41 1.492(6) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C42 1.463(6) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.509(6) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?

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 O2 85.91(8) . . ?
F1 Ge1 O1 85.91(8) . . ?
F1 Ge1 C17 114.33(10) . . ?
F1 Ge1 C5 113.46(10) . . ?
O1 Ge1 O2 171.78(8) . . ?
C17 Ge1 O2 92.42(10) . . ?
C17 Ge1 O1 90.23(10) . . ?
C17 Ge1 C5 132.22(11) . . ?
C5 Ge1 O2 90.53(10) . . ?
C5 Ge1 O1 93.45(10) . . ?
O1 P1 C6 109.18(12) . . ?
O1 P1 C28 111.02(13) . . ?
O1 P1 C25 107.88(13) . . ?
C6 P1 C28 110.23(14) . . ?
C6 P1 C25 109.00(14) . . ?
C25 P1 C28 109.48(14) . . ?
O2 P2 C35 108.64(13) . . ?
O2 P2 C18 109.37(12) . . ?
O2 P2 C31 109.08(13) . . ?
C35 P2 C31 108.94(14) . . ?
C18 P2 C35 106.50(14) . . ?
C18 P2 C31 114.16(14) . . ?
O3 S1 O5 115.58(15) . . ?
O3 S1 O4 114.97(15) . . ?
O3 S1 C37 102.35(15) . . ?
O5 S1 O4 115.53(16) . . ?
O5 S1 C37 103.11(16) . . ?
O4 S1 C37 102.42(16) . . ?
P2 O2 Ge1 132.55(12) . . ?
P1 O1 Ge1 134.28(12) . . ?
C45 O7 C42 107.5(3) . . ?
C14 C23 C24 124.0(3) . . ?
C14 C23 C21 111.5(3) . . ?
C21 C23 C24 124.4(3) . . ?
C23 C24 C17 116.3(2) . . ?
C23 C24 C18 114.1(2) . . ?
C18 C24 C17 129.6(3) . . ?
C17 C16 H16 117.7 . . ?
C17 C16 C15 124.7(3) . . ?
C15 C16 H16 117.7 . . ?
C41 O6 C38 108.6(3) . . ?
C24 C17 Ge1 123.9(2) . . ?
C16 C17 Ge1 117.9(2) . . ?
C16 C17 C24 117.8(3) . . ?
C11 C12 C5 116.4(3) . . ?
C11 C12 C6 114.2(3) . . ?
C6 C12 C5 129.5(3) . . ?
P2 C35 H35 108.1 . . ?
C36 C35 P2 109.6(2) . . ?
C36 C35 H35 108.1 . . ?
C36 C35 C34 111.3(3) . . ?
C34 C35 P2 111.5(2) . . ?
C34 C35 H35 108.1 . . ?
C9 C11 C12 124.7(3) . . ?
C2 C11 C12 124.1(3) . . ?
C2 C11 C9 111.3(3) . . ?
C23 C14 C13 109.3(3) . . ?
C15 C14 C23 119.0(3) . . ?
C15 C14 C13 131.7(3) . . ?
C12 C5 Ge1 124.6(2) . . ?
C4 C5 Ge1 117.6(2) . . ?
C4 C5 C12 117.6(3) . . ?
C23 C21 C22 109.0(3) . . ?
C20 C21 C23 119.7(3) . . ?
C20 C21 C22 131.3(3) . . ?
C16 C15 H15 120.9 . . ?
C14 C15 C16 118.1(3) . . ?
C14 C15 H15 120.9 . . ?
C11 C9 C10 109.7(3) . . ?
C8 C9 C11 119.0(3) . . ?
C8 C9 C10 131.4(3) . . ?
C24 C18 P2 120.3(2) . . ?
C19 C18 P2 117.9(2) . . ?
C19 C18 C24 120.5(3) . . ?
C5 C4 H4 117.8 . . ?
C5 C4 C3 124.4(3) . . ?
C3 C4 H4 117.8 . . ?
C12 C6 P1 121.2(2) . . ?
C7 C6 P1 117.5(2) . . ?
C7 C6 C12 120.5(3) . . ?
P1 C28 H28 108.6 . . ?
C29 C28 P1 109.7(2) . . ?
C29 C28 H28 108.6 . . ?
C30 C28 P1 109.8(2) . . ?
C30 C28 H28 108.6 . . ?
C30 C28 C29 111.6(3) . . ?
C11 C2 C1 109.0(3) . . ?
C3 C2 C11 118.5(3) . . ?
C3 C2 C1 132.4(3) . . ?
C21 C22 H22A 110.8 . . ?
C21 C22 H22B 110.8 . . ?
C21 C22 C13 104.9(2) . . ?
H22A C22 H22B 108.8 . . ?
C13 C22 H22A 110.8 . . ?
C13 C22 H22B 110.8 . . ?
C18 C19 H19 118.5 . . ?
C18 C19 C20 123.0(3) . . ?
C20 C19 H19 118.5 . . ?
C21 C20 C19 117.9(3) . . ?
C21 C20 H20 121.1 . . ?
C19 C20 H20 121.1 . . ?
C14 C13 C22 105.2(2) . . ?
C14 C13 H13A 110.7 . . ?
C14 C13 H13B 110.7 . . ?
C22 C13 H13A 110.7 . . ?
C22 C13 H13B 110.7 . . ?
H13A C13 H13B 108.8 . . ?
C6 C7 H7 118.6 . . ?
C6 C7 C8 122.9(3) . . ?
C8 C7 H7 118.6 . . ?
C4 C3 H3 120.6 . . ?
C2 C3 C4 118.7(3) . . ?
C2 C3 H3 120.6 . . ?
C9 C8 C7 118.5(3) . . ?
C9 C8 H8 120.8 . . ?
C7 C8 H8 120.8 . . ?
C2 C1 H1A 110.8 . . ?
C2 C1 H1B 110.8 . . ?
C2 C1 C10 104.8(3) . . ?
H1A C1 H1B 108.9 . . ?
C10 C1 H1A 110.8 . . ?
C10 C1 H1B 110.8 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C9 C10 C1 105.2(3) . . ?
C9 C10 H10A 110.7 . . ?
C9 C10 H10B 110.7 . . ?
C1 C10 H10A 110.7 . . ?
C1 C10 H10B 110.7 . . ?
H10A C10 H10B 108.8 . . ?
P2 C31 H31 105.6 . . ?
C32 C31 P2 116.3(2) . . ?
C32 C31 H31 105.6 . . ?
C32 C31 C33 111.7(3) . . ?
C33 C31 P2 111.1(2) . . ?
C33 C31 H31 105.6 . . ?
P1 C25 H25 107.1 . . ?
C27 C25 P1 110.2(2) . . ?
C27 C25 H25 107.1 . . ?
C26 C25 P1 114.2(2) . . ?
C26 C25 H25 107.1 . . ?
C26 C25 C27 110.8(3) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
F2 C37 S1 111.8(2) . . ?
F2 C37 F4 106.5(3) . . ?
F3 C37 S1 111.8(2) . . ?
F3 C37 F2 107.3(3) . . ?
F3 C37 F4 106.9(3) . . ?
F4 C37 S1 112.1(2) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C35 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
C35 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
H44A C44 H44B 109.4 . . ?
C45 C44 H44A 111.6 . . ?
C45 C44 H44B 111.6 . . ?
C45 C44 C43 100.7(3) . . ?
C43 C44 H44A 111.6 . . ?
C43 C44 H44B 111.6 . . ?
O7 C45 C44 106.6(3) . . ?
O7 C45 H45A 110.4 . . ?
O7 C45 H45B 110.4 . . ?
C44 C45 H45A 110.4 . . ?
C44 C45 H45B 110.4 . . ?
H45A C45 H45B 108.6 . . ?
H40A C40 H40B 109.3 . . ?
C39 C40 H40A 111.4 . . ?
C39 C40 H40B 111.4 . . ?
C41 C40 H40A 111.4 . . ?
C41 C40 H40B 111.4 . . ?
C41 C40 C39 101.7(3) . . ?
C44 C43 H43A 111.1 . . ?
C44 C43 H43B 111.1 . . ?
H43A C43 H43B 109.0 . . ?
C42 C43 C44 103.4(3) . . ?
C42 C43 H43A 111.1 . . ?
C42 C43 H43B 111.1 . . ?
O7 C42 C43 107.2(3) . . ?
O7 C42 H42A 110.3 . . ?
O7 C42 H42B 110.3 . . ?
C43 C42 H42A 110.3 . . ?
C43 C42 H42B 110.3 . . ?
H42A C42 H42B 108.5 . . ?
O6 C38 H38A 110.3 . . ?
O6 C38 H38B 110.3 . . ?
O6 C38 C39 106.9(3) . . ?
H38A C38 H38B 108.6 . . ?
C39 C38 H38A 110.3 . . ?
C39 C38 H38B 110.3 . . ?
C40 C39 C38 102.6(4) . . ?
C40 C39 H39A 111.2 . . ?
C40 C39 H39B 111.2 . . ?
C38 C39 H39A 111.2 . . ?
C38 C39 H39B 111.2 . . ?
H39A C39 H39B 109.2 . . ?
O6 C41 C40 107.6(4) . . ?
O6 C41 H41A 110.2 . . ?
O6 C41 H41B 110.2 . . ?
C40 C41 H41A 110.2 . . ?
C40 C41 H41B 110.2 . . ?
H41A C41 H41B 108.5 . . ?

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
Ge1 C5 C4 C3 -173.1(2) . . . . ?
P1 C6 C7 C8 -166.9(2) . . . . ?
P2 C18 C19 C20 -165.2(2) . . . . ?
O2 P2 C35 C36 -65.4(2) . . . . ?
O2 P2 C35 C34 58.3(2) . . . . ?
O2 P2 C18 C24 18.4(3) . . . . ?
O2 P2 C18 C19 -174.7(2) . . . . ?
O2 P2 C31 C32 -164.7(2) . . . . ?
O2 P2 C31 C33 66.1(3) . . . . ?
O1 P1 C6 C12 18.4(3) . . . . ?
O1 P1 C6 C7 -172.1(2) . . . . ?
O1 P1 C28 C29 -61.1(2) . . . . ?
O1 P1 C28 C30 61.9(3) . . . . ?
O1 P1 C25 C27 -65.9(2) . . . . ?
O1 P1 C25 C26 168.6(2) . . . . ?
O3 S1 C37 F2 179.2(2) . . . . ?
O3 S1 C37 F3 58.8(3) . . . . ?
O3 S1 C37 F4 -61.3(3) . . . . ?
O5 S1 C37 F2 -60.5(3) . . . . ?
O5 S1 C37 F3 179.1(2) . . . . ?
O5 S1 C37 F4 59.0(3) . . . . ?
O4 S1 C37 F2 59.8(3) . . . . ?
O4 S1 C37 F3 -60.6(3) . . . . ?
O4 S1 C37 F4 179.3(2) . . . . ?
C23 C24 C17 Ge1 168.0(2) . . . . ?
C23 C24 C17 C16 -4.0(4) . . . . ?
C23 C24 C18 P2 160.7(2) . . . . ?
C23 C24 C18 C19 -5.8(4) . . . . ?
C23 C14 C15 C16 -2.8(4) . . . . ?
C23 C14 C13 C22 -1.0(3) . . . . ?
C23 C21 C22 C13 -1.7(3) . . . . ?
C23 C21 C20 C19 -4.7(4) . . . . ?
C24 C23 C14 C15 -0.4(4) . . . . ?
C24 C23 C14 C13 -178.7(3) . . . . ?
C24 C23 C21 C22 179.8(3) . . . . ?
C24 C23 C21 C20 0.2(4) . . . . ?
C24 C18 C19 C20 1.7(5) . . . . ?
O6 C38 C39 C40 -27.2(5) . . . . ?
C17 C24 C18 P2 -19.7(4) . . . . ?
C17 C24 C18 C19 173.8(3) . . . . ?
C17 C16 C15 C14 2.5(5) . . . . ?
C12 C11 C9 C8 0.5(4) . . . . ?
C12 C11 C9 C10 -179.2(3) . . . . ?
C12 C11 C2 C3 -1.0(4) . . . . ?
C12 C11 C2 C1 178.8(3) . . . . ?
C12 C5 C4 C3 1.6(4) . . . . ?
C12 C6 C7 C8 2.6(5) . . . . ?
C35 P2 O2 Ge1 128.05(17) . . . . ?
C35 P2 C18 C24 -98.8(2) . . . . ?
C35 P2 C18 C19 68.1(3) . . . . ?
C35 P2 C31 C32 -46.2(3) . . . . ?
C35 P2 C31 C33 -175.5(2) . . . . ?
C11 C12 C5 Ge1 169.3(2) . . . . ?
C11 C12 C5 C4 -5.1(4) . . . . ?
C11 C12 C6 P1 163.3(2) . . . . ?
C11 C12 C6 C7 -5.8(4) . . . . ?
C11 C9 C8 C7 -4.0(4) . . . . ?
C11 C9 C10 C1 0.2(3) . . . . ?
C11 C2 C3 C4 -2.7(4) . . . . ?
C11 C2 C1 C10 0.9(3) . . . . ?
C14 C23 C24 C17 3.9(4) . . . . ?
C14 C23 C24 C18 -176.5(3) . . . . ?
C14 C23 C21 C22 1.1(3) . . . . ?
C14 C23 C21 C20 -178.5(3) . . . . ?
C5 C12 C11 C9 -175.4(3) . . . . ?
C5 C12 C11 C2 5.0(4) . . . . ?
C5 C12 C6 P1 -16.9(4) . . . . ?
C5 C12 C6 C7 174.0(3) . . . . ?
C5 C4 C3 C2 2.4(5) . . . . ?
C21 C23 C24 C17 -174.6(3) . . . . ?
C21 C23 C24 C18 5.0(4) . . . . ?
C21 C23 C14 C15 178.3(3) . . . . ?
C21 C23 C14 C13 0.0(3) . . . . ?
C21 C22 C13 C14 1.6(3) . . . . ?
C15 C16 C17 Ge1 -171.5(2) . . . . ?
C15 C16 C17 C24 1.0(4) . . . . ?
C15 C14 C13 C22 -179.0(3) . . . . ?
C9 C11 C2 C3 179.3(3) . . . . ?
C9 C11 C2 C1 -0.8(3) . . . . ?
C18 P2 O2 Ge1 12.2(2) . . . . ?
C18 P2 C35 C36 52.3(2) . . . . ?
C18 P2 C35 C34 176.0(2) . . . . ?
C18 P2 C31 C32 72.7(3) . . . . ?
C18 P2 C31 C33 -56.6(3) . . . . ?
C18 C24 C17 Ge1 -11.5(4) . . . . ?
C18 C24 C17 C16 176.4(3) . . . . ?
C18 C19 C20 C21 3.9(5) . . . . ?
C6 P1 O1 Ge1 5.5(2) . . . . ?
C6 P1 C28 C29 177.8(2) . . . . ?
C6 P1 C28 C30 -59.2(3) . . . . ?
C6 P1 C25 C27 52.5(3) . . . . ?
C6 P1 C25 C26 -72.9(3) . . . . ?
C6 C12 C11 C9 4.4(4) . . . . ?
C6 C12 C11 C2 -175.2(3) . . . . ?
C6 C12 C5 Ge1 -10.5(4) . . . . ?
C6 C12 C5 C4 175.2(3) . . . . ?
C6 C7 C8 C9 2.5(5) . . . . ?
C28 P1 O1 Ge1 -116.18(18) . . . . ?
C28 P1 C6 C12 140.6(2) . . . . ?
C28 P1 C6 C7 -49.9(3) . . . . ?
C28 P1 C25 C27 173.2(2) . . . . ?
C28 P1 C25 C26 47.7(3) . . . . ?
C2 C11 C9 C8 -179.9(3) . . . . ?
C2 C11 C9 C10 0.4(3) . . . . ?
C2 C1 C10 C9 -0.6(3) . . . . ?
C22 C21 C20 C19 175.8(3) . . . . ?
C20 C21 C22 C13 177.8(3) . . . . ?
C13 C14 C15 C16 175.1(3) . . . . ?
C3 C2 C1 C10 -179.3(3) . . . . ?
C8 C9 C10 C1 -179.5(3) . . . . ?
C1 C2 C3 C4 177.5(3) . . . . ?
C10 C9 C8 C7 175.6(3) . . . . ?
C31 P2 O2 Ge1 -113.32(18) . . . . ?
C31 P2 C35 C36 175.9(2) . . . . ?
C31 P2 C35 C34 -60.4(3) . . . . ?
C31 P2 C18 C24 140.9(2) . . . . ?
C31 P2 C18 C19 -52.2(3) . . . . ?
C25 P1 O1 Ge1 123.86(18) . . . . ?
C25 P1 C6 C12 -99.2(2) . . . . ?
C25 P1 C6 C7 70.2(3) . . . . ?
C25 P1 C28 C29 57.9(2) . . . . ?
C25 P1 C28 C30 -179.1(2) . . . . ?
C44 C43 C42 O7 26.8(5) . . . . ?
C45 O7 C42 C43 -5.2(5) . . . . ?
C45 C44 C43 C42 -36.9(4) . . . . ?
C43 C44 C45 O7 34.6(4) . . . . ?
C42 O7 C45 C44 -19.1(4) . . . . ?
C38 O6 C41 C40 14.9(5) . . . . ?
C39 C40 C41 O6 -31.3(4) . . . . ?
C41 O6 C38 C39 8.0(5) . . . . ?
C41 C40 C39 C38 34.6(4) . . . . ?

_olex2_exptl_crystal_mounting_method 150K
_olex2_submission_special_instructions 'No special instructions were received'
