#------------------------------------------------------------------------------
#$Date: 2023-10-04 01:52:32 +0300 (Wed, 04 Oct 2023) $
#$Revision: 286642 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/41/7714102.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7714102
loop_
_publ_author_name
'Siewert, Jan-Erik'
'Schumann, André'
'Wellnitz, Tim'
'Dankert, Fabian'
'Hering-Junghans, Christian'
_publ_section_title
;
 Triphosphiranes as Phosphinidene-Transfer Agents -- Synthesis of Regular
 and Chelating NHC Phosphinidene Adducts
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02690F
_journal_year                    2023
_chemical_formula_moiety
'(C48 H68 Cl Ge N4 P2)+, (Ge Cl3)-, 1.65 (C6 H5 F), 0.25 (C6 H14)'
_chemical_formula_sum            'C59.4 H79.75 Cl4 F1.65 Ge2 N4 P2'
_chemical_formula_weight         1230.09
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-09-22 deposited with the CCDC.	2023-09-26 downloaded from the CCDC.
;
_cell_angle_alpha                110.610(3)
_cell_angle_beta                 98.326(3)
_cell_angle_gamma                93.649(3)
_cell_formula_units_Z            2
_cell_length_a                   9.6037(5)
_cell_length_b                   16.1076(8)
_cell_length_c                   22.4447(10)
_cell_measurement_reflns_used    9893
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      66.64
_cell_measurement_theta_min      2.95
_cell_volume                     3190.8(3)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3v2020.1 (Farrugia, 2020)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         microfocus
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_av_unetI/netI     0.0437
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            49376
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        66.754
_diffrn_reflns_theta_max         66.754
_diffrn_reflns_theta_min         2.137
_exptl_absorpt_coefficient_mu    3.510
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_description       needle
_exptl_crystal_F_000             1282
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_refine_diff_density_max         2.050
_refine_diff_density_min         -0.607
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         11150
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1004P)²+2.0327P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1399
_refine_ls_wR_factor_ref         0.1524
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9114
_reflns_number_total             11150
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02690f2.cif
_cod_data_source_block           ax2363_cmpd9
_cod_original_formula_sum        'C59.40 H79.75 Cl4 F1.65 Ge2 N4 P2'
_cod_database_code               7714102
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.390
_shelx_estimated_absorpt_t_max   0.902
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.24043(4) 0.40747(2) 0.25059(2) 0.02871(12) Uani 1 1 d . . . . .
Cl1 Cl 0.21165(11) 0.34794(6) 0.13981(4) 0.0453(2) Uani 1 1 d . . . . .
P1 P 0.34418(8) 0.55660(5) 0.25200(4) 0.02932(18) Uani 1 1 d . . . . .
P2 P 0.48099(8) 0.36070(5) 0.24957(3) 0.02537(17) Uani 1 1 d . . . . .
N1 N 0.2626(3) 0.63995(19) 0.37580(13) 0.0310(6) Uani 1 1 d . . . . .
N2 N 0.2919(3) 0.7320(2) 0.32715(15) 0.0373(6) Uani 1 1 d . . . . .
N3 N 0.5067(3) 0.39025(18) 0.38635(12) 0.0259(5) Uani 1 1 d . . . . .
N4 N 0.6680(3) 0.31834(18) 0.34050(13) 0.0291(5) Uani 1 1 d . . . . .
C1 C 0.3868(3) 0.5170(2) 0.38367(14) 0.0262(6) Uani 1 1 d . . . . .
H1 H 0.462522 0.537166 0.367200 0.031 Uiso 1 1 calc R U . . .
C2 C 0.2696(3) 0.5629(2) 0.39326(14) 0.0280(6) Uani 1 1 d . . . . .
C3 C 0.1627(3) 0.5377(2) 0.42132(15) 0.0301(6) Uani 1 1 d . . . . .
H3 H 0.083701 0.570260 0.427934 0.036 Uiso 1 1 calc R U . . .
C4 C 0.1731(3) 0.4647(2) 0.43939(15) 0.0315(7) Uani 1 1 d . . . . .
H4 H 0.102390 0.448461 0.460213 0.038 Uiso 1 1 calc R U . . .
C5 C 0.2857(3) 0.4142(2) 0.42759(14) 0.0289(6) Uani 1 1 d . . . . .
H5 H 0.290853 0.362841 0.438936 0.035 Uiso 1 1 calc R U . . .
C6 C 0.3899(3) 0.4406(2) 0.39894(14) 0.0257(6) Uani 1 1 d . . . . .
C7 C 0.2340(4) 0.7224(2) 0.41555(17) 0.0378(8) Uani 1 1 d . . . . .
H7 H 0.206855 0.735902 0.456677 0.045 Uiso 1 1 calc R U . . .
C8 C 0.2515(4) 0.7790(3) 0.38539(19) 0.0433(8) Uani 1 1 d . . . . .
H8 H 0.238644 0.840532 0.400916 0.052 Uiso 1 1 calc R U . . .
C9 C 0.2964(3) 0.6455(2) 0.32059(16) 0.0311(7) Uani 1 1 d . . . . .
C10 C 0.3432(5) 0.7754(3) 0.2844(2) 0.0490(9) Uani 1 1 d . . . . .
H10 H 0.365773 0.727355 0.245784 0.059 Uiso 1 1 calc R U . . .
C11 C 0.4794(7) 0.8361(5) 0.3204(4) 0.095(2) Uani 1 1 d . . . . .
H11A H 0.458270 0.887828 0.355369 0.142 Uiso 1 1 calc R U . . .
H11B H 0.523472 0.856483 0.290379 0.142 Uiso 1 1 calc R U . . .
H11C H 0.544591 0.803177 0.338574 0.142 Uiso 1 1 calc R U . . .
C12 C 0.2309(7) 0.8225(4) 0.2610(3) 0.0767(16) Uani 1 1 d . . . . .
H12A H 0.144785 0.780290 0.239472 0.115 Uiso 1 1 calc R U . . .
H12B H 0.264440 0.846350 0.230334 0.115 Uiso 1 1 calc R U . . .
H12C H 0.209791 0.871650 0.297856 0.115 Uiso 1 1 calc R U . . .
C13 C 0.2288(4) 0.5763(2) 0.18648(16) 0.0328(7) Uani 1 1 d . . . . .
C14 C 0.2963(4) 0.5933(3) 0.1392(2) 0.0467(9) Uani 1 1 d D . . . .
C15 C 0.2142(5) 0.6141(4) 0.0910(2) 0.0567(12) Uani 1 1 d . . . . .
H15 H 0.259649 0.626743 0.059758 0.068 Uiso 1 1 calc R U . . .
C16 C 0.0704(5) 0.6172(3) 0.0868(2) 0.0514(10) Uani 1 1 d . . . . .
C17 C 0.0053(4) 0.5989(3) 0.13258(19) 0.0434(8) Uani 1 1 d . . . . .
H17 H -0.094007 0.600562 0.130188 0.052 Uiso 1 1 calc R U . . .
C18 C 0.0815(4) 0.5779(2) 0.18233(16) 0.0333(7) Uani 1 1 d . . . . .
C19A C 0.4589(6) 0.5989(6) 0.1435(4) 0.0467(19) Uani 0.695(14) 1 d D . P A 1
H19A H 0.502399 0.612272 0.189642 0.056 Uiso 0.695(14) 1 calc R U P A 1
C20A C 0.5261(9) 0.6700(6) 0.1225(5) 0.061(2) Uani 0.695(14) 1 d D . P A 1
H20A H 0.629469 0.671152 0.129943 0.092 Uiso 0.695(14) 1 calc R U P A 1
H20B H 0.501137 0.728601 0.147625 0.092 Uiso 0.695(14) 1 calc R U P A 1
H20C H 0.491062 0.655907 0.076360 0.092 Uiso 0.695(14) 1 calc R U P A 1
C21A C 0.4927(10) 0.5072(6) 0.1037(7) 0.080(3) Uani 0.695(14) 1 d D . P A 1
H21A H 0.439570 0.488349 0.059495 0.119 Uiso 0.695(14) 1 calc R U P A 1
H21B H 0.465946 0.464190 0.123225 0.119 Uiso 0.695(14) 1 calc R U P A 1
H21C H 0.594615 0.509794 0.102831 0.119 Uiso 0.695(14) 1 calc R U P A 1
C19B C 0.4381(14) 0.5605(12) 0.1242(8) 0.0467(19) Uani 0.305(14) 1 d D . P A 2
H19B H 0.477283 0.535565 0.157261 0.056 Uiso 0.305(14) 1 calc R U P A 2
C20B C 0.531(2) 0.6460(13) 0.1352(10) 0.061(2) Uani 0.305(14) 1 d D . P A 2
H20D H 0.480414 0.679769 0.111988 0.092 Uiso 0.305(14) 1 calc R U P A 2
H20E H 0.619054 0.631496 0.119155 0.092 Uiso 0.305(14) 1 calc R U P A 2
H20F H 0.552266 0.682061 0.181577 0.092 Uiso 0.305(14) 1 calc R U P A 2
C21B C 0.437(2) 0.4918(11) 0.0578(9) 0.067(5) Uani 0.305(14) 1 d D . P A 2
H21D H 0.368657 0.439800 0.050222 0.101 Uiso 0.305(14) 1 calc R U P A 2
H21E H 0.531891 0.473256 0.055104 0.101 Uiso 0.305(14) 1 calc R U P A 2
H21F H 0.410048 0.517925 0.025084 0.101 Uiso 0.305(14) 1 calc R U P A 2
C22A C -0.016(3) 0.6447(11) 0.0322(18) 0.066(3) Uani 0.637(9) 1 d D . P B 1
H22A H -0.101270 0.599591 0.010761 0.079 Uiso 0.637(9) 1 calc R U P B 1
C23A C 0.0709(11) 0.6431(8) -0.0172(5) 0.087(3) Uani 0.637(9) 1 d D . P B 1
H23A H 0.097276 0.582923 -0.036696 0.130 Uiso 0.637(9) 1 calc R U P B 1
H23B H 0.016021 0.659578 -0.050837 0.130 Uiso 0.637(9) 1 calc R U P B 1
H23C H 0.156866 0.685846 0.002960 0.130 Uiso 0.637(9) 1 calc R U P B 1
C24A C -0.0660(10) 0.7355(9) 0.0677(5) 0.093(4) Uani 0.637(9) 1 d D . P B 1
H24A H -0.122227 0.729423 0.099332 0.139 Uiso 0.637(9) 1 calc R U P B 1
H24B H 0.016606 0.780446 0.089953 0.139 Uiso 0.637(9) 1 calc R U P B 1
H24C H -0.124240 0.754178 0.036156 0.139 Uiso 0.637(9) 1 calc R U P B 1
C22B C -0.020(6) 0.6319(19) 0.035(4) 0.066(3) Uani 0.363(9) 1 d D . P B 2
H22B H 0.010063 0.589884 -0.003974 0.079 Uiso 0.363(9) 1 calc R U P B 2
C24B C -0.1758(16) 0.6153(11) 0.0180(7) 0.074(5) Uani 0.363(9) 1 d D . P B 2
H24D H -0.206846 0.632017 -0.019327 0.111 Uiso 0.363(9) 1 calc R U P B 2
H24E H -0.207012 0.551731 0.007032 0.111 Uiso 0.363(9) 1 calc R U P B 2
H24F H -0.217358 0.651059 0.054734 0.111 Uiso 0.363(9) 1 calc R U P B 2
C23B C 0.027(2) 0.7245(14) 0.0330(8) 0.087(3) Uani 0.363(9) 1 d D . P B 2
H23D H -0.035781 0.733422 -0.002283 0.130 Uiso 0.363(9) 1 calc R U P B 2
H23E H 0.020874 0.771611 0.074142 0.130 Uiso 0.363(9) 1 calc R U P B 2
H23F H 0.124713 0.726987 0.025412 0.130 Uiso 0.363(9) 1 calc R U P B 2
C25 C -0.0044(4) 0.5564(3) 0.22836(17) 0.0358(7) Uani 1 1 d . . . . .
H25 H 0.063563 0.543336 0.261189 0.043 Uiso 1 1 calc R U . . .
C26 C -0.1117(4) 0.4730(3) 0.1932(2) 0.0488(9) Uani 1 1 d . . . . .
H26A H -0.165340 0.461412 0.224046 0.073 Uiso 1 1 calc R U . . .
H26B H -0.061660 0.421661 0.174017 0.073 Uiso 1 1 calc R U . . .
H26C H -0.177119 0.482379 0.159019 0.073 Uiso 1 1 calc R U . . .
C27 C -0.0776(4) 0.6354(3) 0.2649(2) 0.0474(9) Uani 1 1 d . . . . .
H27A H -0.007212 0.688341 0.286720 0.071 Uiso 1 1 calc R U . . .
H27B H -0.122898 0.621144 0.297143 0.071 Uiso 1 1 calc R U . . .
H27C H -0.149652 0.647459 0.234357 0.071 Uiso 1 1 calc R U . . .
C28 C 0.5952(3) 0.3721(2) 0.43352(15) 0.0305(6) Uani 1 1 d . . . . .
H28 H 0.586351 0.387951 0.477648 0.037 Uiso 1 1 calc R U . . .
C29 C 0.6960(3) 0.3278(2) 0.40489(16) 0.0328(7) Uani 1 1 d . . . . .
H29 H 0.772377 0.306825 0.425156 0.039 Uiso 1 1 calc R U . . .
C30 C 0.5515(3) 0.3563(2) 0.32902(14) 0.0251(6) Uani 1 1 d . . . . .
C31 C 0.7622(3) 0.2802(2) 0.29306(16) 0.0329(7) Uani 1 1 d . . . . .
H31 H 0.722567 0.287176 0.251587 0.039 Uiso 1 1 calc R U . . .
C32 C 0.9080(4) 0.3341(3) 0.31825(19) 0.0402(8) Uani 1 1 d . . . . .
H32A H 0.898423 0.397936 0.331500 0.060 Uiso 1 1 calc R U . . .
H32B H 0.965299 0.317424 0.284026 0.060 Uiso 1 1 calc R U . . .
H32C H 0.954553 0.321544 0.355481 0.060 Uiso 1 1 calc R U . . .
C33 C 0.7626(4) 0.1811(2) 0.2799(2) 0.0431(8) Uani 1 1 d . . . . .
H33A H 0.804439 0.172819 0.319567 0.065 Uiso 1 1 calc R U . . .
H33B H 0.818620 0.155468 0.246100 0.065 Uiso 1 1 calc R U . . .
H33C H 0.665065 0.151148 0.265422 0.065 Uiso 1 1 calc R U . . .
C34 C 0.4525(3) 0.2384(2) 0.20214(14) 0.0280(6) Uani 1 1 d . . . . .
C35 C 0.3781(3) 0.1748(2) 0.22045(15) 0.0278(6) Uani 1 1 d . . . . .
C36 C 0.3754(3) 0.0843(2) 0.18595(16) 0.0317(7) Uani 1 1 d . . . . .
H36 H 0.326226 0.042614 0.199151 0.038 Uiso 1 1 calc R U . . .
C37 C 0.4419(4) 0.0524(2) 0.13274(16) 0.0345(7) Uani 1 1 d . . . . .
C38 C 0.5076(4) 0.1148(2) 0.11327(16) 0.0364(7) Uani 1 1 d . . . . .
H38 H 0.549291 0.094175 0.075597 0.044 Uiso 1 1 calc R U . . .
C39 C 0.5155(4) 0.2064(2) 0.14623(16) 0.0337(7) Uani 1 1 d . . . . .
C40 C 0.2962(3) 0.2000(2) 0.27606(15) 0.0302(6) Uani 1 1 d . . . . .
H40 H 0.305186 0.266749 0.295494 0.036 Uiso 1 1 calc R U . . .
C41 C 0.3555(4) 0.1664(3) 0.32935(16) 0.0378(7) Uani 1 1 d . . . . .
H41A H 0.345214 0.100924 0.311901 0.057 Uiso 1 1 calc R U . . .
H41B H 0.303062 0.187020 0.365175 0.057 Uiso 1 1 calc R U . . .
H41C H 0.456016 0.189765 0.345069 0.057 Uiso 1 1 calc R U . . .
C42 C 0.1390(4) 0.1656(3) 0.2511(2) 0.0425(8) Uani 1 1 d . . . . .
H42A H 0.101996 0.189916 0.218515 0.064 Uiso 1 1 calc R U . . .
H42B H 0.086934 0.184590 0.287201 0.064 Uiso 1 1 calc R U . . .
H42C H 0.127047 0.100172 0.231734 0.064 Uiso 1 1 calc R U . . .
C43 C 0.4480(5) -0.0472(2) 0.09748(19) 0.0457(9) Uani 1 1 d . . . . .
H43 H 0.469309 -0.055193 0.053622 0.055 Uiso 1 1 calc R U . . .
C44 C 0.3107(6) -0.1044(3) 0.0880(3) 0.0682(14) Uani 1 1 d . . . . .
H44A H 0.318603 -0.166478 0.061614 0.102 Uiso 1 1 calc R U . . .
H44B H 0.233870 -0.082744 0.065950 0.102 Uiso 1 1 calc R U . . .
H44C H 0.290248 -0.101450 0.130154 0.102 Uiso 1 1 calc R U . . .
C45 C 0.5699(7) -0.0772(4) 0.1331(3) 0.0799(17) Uani 1 1 d . . . . .
H45A H 0.552953 -0.069211 0.176641 0.120 Uiso 1 1 calc R U . . .
H45B H 0.658808 -0.041264 0.136119 0.120 Uiso 1 1 calc R U . . .
H45C H 0.576524 -0.140386 0.109324 0.120 Uiso 1 1 calc R U . . .
C46 C 0.5939(5) 0.2675(3) 0.11953(19) 0.0498(10) Uani 1 1 d . . . . .
H46 H 0.602303 0.330307 0.151007 0.060 Uiso 1 1 calc R U . . .
C47 C 0.5075(7) 0.2625(3) 0.0550(2) 0.0665(14) Uani 1 1 d . . . . .
H47A H 0.498429 0.201348 0.023339 0.100 Uiso 1 1 calc R U . . .
H47B H 0.556012 0.303554 0.038928 0.100 Uiso 1 1 calc R U . . .
H47C H 0.413050 0.279416 0.061395 0.100 Uiso 1 1 calc R U . . .
C48 C 0.7428(6) 0.2436(3) 0.1115(2) 0.0629(13) Uani 1 1 d . . . . .
H48A H 0.796057 0.247020 0.153144 0.094 Uiso 1 1 calc R U . . .
H48B H 0.791445 0.285651 0.096329 0.094 Uiso 1 1 calc R U . . .
H48C H 0.736818 0.182724 0.079774 0.094 Uiso 1 1 calc R U . . .
Ge2 Ge 0.79956(5) 0.70984(3) 0.43255(2) 0.03957(13) Uani 1 1 d . . . . .
Cl2 Cl 0.59823(10) 0.72844(7) 0.47650(5) 0.0469(2) Uani 1 1 d . . . . .
Cl3 Cl 0.95781(10) 0.73747(7) 0.52828(5) 0.0491(2) Uani 1 1 d . . . . .
Cl4 Cl 0.77583(9) 0.55765(6) 0.40092(4) 0.0421(2) Uani 1 1 d . . . . .
F1 F 0.7919(10) 0.8443(6) 0.2364(4) 0.187(3) Uani 1 1 d . . . . .
C50 C 0.8702(7) 0.8958(5) 0.2894(4) 0.0882(18) Uani 1 1 d . . . . .
C51 C 0.9344(8) 0.9734(5) 0.2881(4) 0.090(2) Uani 1 1 d . . . . .
H51 H 0.925075 0.987504 0.250151 0.107 Uiso 1 1 calc R U . . .
C52 C 1.0121(9) 1.0282(5) 0.3452(5) 0.099(2) Uani 1 1 d . . . . .
H52 H 1.052449 1.085087 0.347922 0.119 Uiso 1 1 calc R U . . .
C53 C 1.0372(12) 1.0067(6) 0.4008(5) 0.118(3) Uani 1 1 d . . . . .
H53 H 1.098851 1.045381 0.438927 0.141 Uiso 1 1 calc R U . . .
C54 C 0.9683(10) 0.9267(5) 0.3978(4) 0.101(2) Uani 1 1 d . . . . .
H54 H 0.980187 0.910039 0.434627 0.121 Uiso 1 1 calc R U . . .
C55 C 0.8810(8) 0.8704(4) 0.3400(4) 0.0826(19) Uani 1 1 d . . . . .
H55 H 0.831194 0.815876 0.337132 0.099 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
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 Ge1 P2 85.64(3) . . ?
Cl1 Ge1 P1 90.80(3) . . ?
P2 Ge1 P1 88.11(3) . . ?
C9 P1 C13 98.05(15) . . ?
C9 P1 Ge1 108.48(11) . . ?
C13 P1 Ge1 105.16(12) . . ?
C30 P2 C34 97.98(14) . . ?
C30 P2 Ge1 109.18(10) . . ?
C34 P2 Ge1 105.24(10) . . ?
C9 N1 C7 110.0(3) . . ?
C9 N1 C2 124.9(3) . . ?
C7 N1 C2 124.8(3) . . ?
C9 N2 C8 109.9(3) . . ?
C9 N2 C10 126.1(3) . . ?
C8 N2 C10 123.3(3) . . ?
C30 N3 C28 109.8(3) . . ?
C30 N3 C6 126.6(2) . . ?
C28 N3 C6 123.5(3) . . ?
C30 N4 C29 109.9(3) . . ?
C30 N4 C31 125.3(3) . . ?
C29 N4 C31 124.5(3) . . ?
C2 C1 C6 117.8(3) . . ?
C2 C1 H1 121.1 . . ?
C6 C1 H1 121.1 . . ?
C1 C2 C3 121.7(3) . . ?
C1 C2 N1 118.5(3) . . ?
C3 C2 N1 119.8(3) . . ?
C4 C3 C2 119.0(3) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 121.0(3) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C6 C5 C4 118.6(3) . . ?
C6 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
C5 C6 C1 121.8(3) . . ?
C5 C6 N3 119.8(3) . . ?
C1 C6 N3 118.4(3) . . ?
C8 C7 N1 107.2(3) . . ?
C8 C7 H7 126.4 . . ?
N1 C7 H7 126.4 . . ?
C7 C8 N2 107.4(3) . . ?
C7 C8 H8 126.3 . . ?
N2 C8 H8 126.3 . . ?
N2 C9 N1 105.4(3) . . ?
N2 C9 P1 126.5(3) . . ?
N1 C9 P1 128.1(3) . . ?
N2 C10 C12 111.1(4) . . ?
N2 C10 C11 108.6(4) . . ?
C12 C10 C11 113.4(5) . . ?
N2 C10 H10 107.9 . . ?
C12 C10 H10 107.9 . . ?
C11 C10 H10 107.9 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 119.4(3) . . ?
C18 C13 P1 124.0(3) . . ?
C14 C13 P1 116.5(3) . . ?
C15 C14 C13 118.4(4) . . ?
C15 C14 C19B 115.8(7) . . ?
C13 C14 C19B 122.6(7) . . ?
C15 C14 C19A 119.3(4) . . ?
C13 C14 C19A 122.0(4) . . ?
C16 C15 C14 122.9(4) . . ?
C16 C15 H15 118.5 . . ?
C14 C15 H15 118.5 . . ?
C15 C16 C17 118.1(4) . . ?
C15 C16 C22B 125(4) . . ?
C17 C16 C22B 117(4) . . ?
C15 C16 C22A 120.3(17) . . ?
C17 C16 C22A 121.5(17) . . ?
C16 C17 C18 121.8(4) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 H17 119.1 . . ?
C17 C18 C13 119.3(3) . . ?
C17 C18 C25 116.4(3) . . ?
C13 C18 C25 124.3(3) . . ?
C21A C19A C20A 110.3(6) . . ?
C21A C19A C14 107.6(6) . . ?
C20A C19A C14 115.7(5) . . ?
C21A C19A H19A 107.6 . . ?
C20A C19A H19A 107.6 . . ?
C14 C19A H19A 107.6 . . ?
C19A C20A H20A 109.5 . . ?
C19A C20A H20B 109.5 . . ?
H20A C20A H20B 109.5 . . ?
C19A C20A H20C 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
C19A C21A H21A 109.5 . . ?
C19A C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
C19A C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
C21B C19B C20B 111.2(11) . . ?
C21B C19B C14 117.1(11) . . ?
C20B C19B C14 102.8(13) . . ?
C21B C19B H19B 108.5 . . ?
C20B C19B H19B 108.5 . . ?
C14 C19B H19B 108.5 . . ?
C19B C20B H20D 109.5 . . ?
C19B C20B H20E 109.5 . . ?
H20D C20B H20E 109.5 . . ?
C19B C20B H20F 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?
C19B C21B H21D 109.5 . . ?
C19B C21B H21E 109.5 . . ?
H21D C21B H21E 109.5 . . ?
C19B C21B H21F 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
C23A C22A C24A 115.9(15) . . ?
C23A C22A C16 110(2) . . ?
C24A C22A C16 106(2) . . ?
C23A C22A H22A 108.1 . . ?
C24A C22A H22A 108.1 . . ?
C16 C22A H22A 108.1 . . ?
C22A C23A H23A 109.5 . . ?
C22A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C22A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C22A C24A H24A 109.5 . . ?
C22A C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C22A C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C16 C22B C24B 128(6) . . ?
C16 C22B C23B 111(2) . . ?
C24B C22B C23B 107(2) . . ?
C16 C22B H22B 102.3 . . ?
C24B C22B H22B 102.3 . . ?
C23B C22B H22B 102.3 . . ?
C22B C24B H24D 109.5 . . ?
C22B C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C22B C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C22B C23B H23D 109.5 . . ?
C22B C23B H23E 109.5 . . ?
H23D C23B H23E 109.5 . . ?
C22B C23B H23F 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C18 C25 C26 111.6(3) . . ?
C18 C25 C27 112.1(3) . . ?
C26 C25 C27 110.7(3) . . ?
C18 C25 H25 107.4 . . ?
C26 C25 H25 107.4 . . ?
C27 C25 H25 107.4 . . ?
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 . . ?
C29 C28 N3 106.8(3) . . ?
C29 C28 H28 126.6 . . ?
N3 C28 H28 126.6 . . ?
C28 C29 N4 107.4(3) . . ?
C28 C29 H29 126.3 . . ?
N4 C29 H29 126.3 . . ?
N4 C30 N3 106.1(3) . . ?
N4 C30 P2 123.5(2) . . ?
N3 C30 P2 130.3(2) . . ?
N4 C31 C32 108.8(3) . . ?
N4 C31 C33 109.9(3) . . ?
C32 C31 C33 114.0(3) . . ?
N4 C31 H31 108.0 . . ?
C32 C31 H31 108.0 . . ?
C33 C31 H31 108.0 . . ?
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 . . ?
C39 C34 C35 118.1(3) . . ?
C39 C34 P2 117.9(3) . . ?
C35 C34 P2 124.0(2) . . ?
C36 C35 C34 119.8(3) . . ?
C36 C35 C40 116.6(3) . . ?
C34 C35 C40 123.6(3) . . ?
C35 C36 C37 122.3(3) . . ?
C35 C36 H36 118.8 . . ?
C37 C36 H36 118.8 . . ?
C38 C37 C36 117.4(3) . . ?
C38 C37 C43 120.2(3) . . ?
C36 C37 C43 122.4(3) . . ?
C37 C38 C39 123.0(3) . . ?
C37 C38 H38 118.5 . . ?
C39 C38 H38 118.5 . . ?
C38 C39 C34 119.3(3) . . ?
C38 C39 C46 117.1(3) . . ?
C34 C39 C46 123.6(3) . . ?
C35 C40 C42 110.4(3) . . ?
C35 C40 C41 112.3(3) . . ?
C42 C40 C41 110.7(3) . . ?
C35 C40 H40 107.8 . . ?
C42 C40 H40 107.8 . . ?
C41 C40 H40 107.8 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C45 111.3(4) . . ?
C44 C43 C37 113.5(4) . . ?
C45 C43 C37 109.5(4) . . ?
C44 C43 H43 107.5 . . ?
C45 C43 H43 107.5 . . ?
C37 C43 H43 107.5 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C48 C46 C39 111.6(4) . . ?
C48 C46 C47 110.8(4) . . ?
C39 C46 C47 109.7(4) . . ?
C48 C46 H46 108.2 . . ?
C39 C46 H46 108.2 . . ?
C47 C46 H46 108.2 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
Cl2 Ge2 Cl4 95.84(4) . . ?
Cl2 Ge2 Cl3 97.09(4) . . ?
Cl4 Ge2 Cl3 95.68(4) . . ?
F1 C50 C55 118.1(8) . . ?
F1 C50 C51 115.6(8) . . ?
C55 C50 C51 126.3(8) . . ?
C52 C51 C50 114.5(7) . . ?
C52 C51 H51 122.8 . . ?
C50 C51 H51 122.8 . . ?
C51 C52 C53 124.3(7) . . ?
C51 C52 H52 117.8 . . ?
C53 C52 H52 117.8 . . ?
C54 C53 C52 117.2(10) . . ?
C54 C53 H53 121.4 . . ?
C52 C53 H53 121.4 . . ?
C53 C54 C55 119.7(8) . . ?
C53 C54 H54 120.2 . . ?
C55 C54 H54 120.2 . . ?
C50 C55 C54 117.9(7) . . ?
C50 C55 H55 121.1 . . ?
C54 C55 H55 121.1 . . ?
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 Cl1 2.2949(9) . ?
Ge1 P2 2.4760(8) . ?
Ge1 P1 2.5291(9) . ?
P1 C9 1.835(3) . ?
P1 C13 1.842(3) . ?
P2 C30 1.841(3) . ?
P2 C34 1.860(3) . ?
N1 C9 1.356(5) . ?
N1 C7 1.385(4) . ?
N1 C2 1.429(4) . ?
N2 C9 1.353(5) . ?
N2 C8 1.386(5) . ?
N2 C10 1.489(5) . ?
N3 C30 1.354(4) . ?
N3 C28 1.385(4) . ?
N3 C6 1.429(4) . ?
N4 C30 1.345(4) . ?
N4 C29 1.383(4) . ?
N4 C31 1.489(4) . ?
C1 C2 1.387(4) . ?
C1 C6 1.390(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.389(5) . ?
C3 C4 1.376(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(5) . ?
C5 H5 0.9500 . ?
C7 C8 1.330(6) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C10 C12 1.496(7) . ?
C10 C11 1.515(8) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.407(5) . ?
C13 C14 1.415(5) . ?
C14 C15 1.394(6) . ?
C14 C19B 1.532(10) . ?
C14 C19A 1.545(7) . ?
C15 C16 1.376(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(6) . ?
C16 C22B 1.44(4) . ?
C16 C22A 1.59(2) . ?
C17 C18 1.399(5) . ?
C17 H17 0.9500 . ?
C18 C25 1.527(5) . ?
C19A C21A 1.517(8) . ?
C19A C20A 1.525(7) . ?
C19A H19A 1.0000 . ?
C20A H20A 0.9800 . ?
C20A H20B 0.9800 . ?
C20A H20C 0.9800 . ?
C21A H21A 0.9800 . ?
C21A H21B 0.9800 . ?
C21A H21C 0.9800 . ?
C19B C21B 1.509(12) . ?
C19B C20B 1.513(11) . ?
C19B H19B 1.0000 . ?
C20B H20D 0.9800 . ?
C20B H20E 0.9800 . ?
C20B H20F 0.9800 . ?
C21B H21D 0.9800 . ?
C21B H21E 0.9800 . ?
C21B H21F 0.9800 . ?
C22A C23A 1.47(5) . ?
C22A C24A 1.55(3) . ?
C22A H22A 1.0000 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C22B C24B 1.48(5) . ?
C22B C23B 1.55(3) . ?
C22B H22B 1.0000 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
C25 C26 1.527(5) . ?
C25 C27 1.528(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 C29 1.343(5) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C31 C32 1.518(5) . ?
C31 C33 1.518(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 C39 1.418(5) . ?
C34 C35 1.420(5) . ?
C35 C36 1.385(5) . ?
C35 C40 1.520(4) . ?
C36 C37 1.389(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.381(5) . ?
C37 C43 1.529(5) . ?
C38 C39 1.389(5) . ?
C38 H38 0.9500 . ?
C39 C46 1.531(5) . ?
C40 C42 1.526(5) . ?
C40 C41 1.532(5) . ?
C40 H40 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.503(7) . ?
C43 C45 1.521(7) . ?
C43 H43 1.0000 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C48 1.524(7) . ?
C46 C47 1.535(7) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
Ge2 Cl2 2.2846(10) . ?
Ge2 Cl4 2.2853(10) . ?
Ge2 Cl3 2.3280(10) . ?
F1 C50 1.278(11) . ?
C50 C55 1.329(10) . ?
C50 C51 1.370(10) . ?
C51 C52 1.350(12) . ?
C51 H51 0.9500 . ?
C52 C53 1.399(13) . ?
C52 H52 0.9500 . ?
C53 C54 1.386(12) . ?
C53 H53 0.9500 . ?
C54 C55 1.402(12) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
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 C1 C2 C3 4.4(4) . . . . ?
C6 C1 C2 N1 -178.0(3) . . . . ?
C9 N1 C2 C1 43.3(4) . . . . ?
C7 N1 C2 C1 -129.9(3) . . . . ?
C9 N1 C2 C3 -138.9(3) . . . . ?
C7 N1 C2 C3 47.9(4) . . . . ?
C1 C2 C3 C4 -0.7(5) . . . . ?
N1 C2 C3 C4 -178.3(3) . . . . ?
C2 C3 C4 C5 -2.6(5) . . . . ?
C3 C4 C5 C6 1.9(5) . . . . ?
C4 C5 C6 C1 2.0(5) . . . . ?
C4 C5 C6 N3 179.9(3) . . . . ?
C2 C1 C6 C5 -5.0(4) . . . . ?
C2 C1 C6 N3 177.0(3) . . . . ?
C30 N3 C6 C5 127.0(3) . . . . ?
C28 N3 C6 C5 -55.6(4) . . . . ?
C30 N3 C6 C1 -54.9(4) . . . . ?
C28 N3 C6 C1 122.4(3) . . . . ?
C9 N1 C7 C8 -0.7(4) . . . . ?
C2 N1 C7 C8 173.4(3) . . . . ?
N1 C7 C8 N2 -0.4(4) . . . . ?
C9 N2 C8 C7 1.4(4) . . . . ?
C10 N2 C8 C7 -170.1(3) . . . . ?
C8 N2 C9 N1 -1.7(4) . . . . ?
C10 N2 C9 N1 169.5(3) . . . . ?
C8 N2 C9 P1 -179.9(3) . . . . ?
C10 N2 C9 P1 -8.7(5) . . . . ?
C7 N1 C9 N2 1.5(4) . . . . ?
C2 N1 C9 N2 -172.6(3) . . . . ?
C7 N1 C9 P1 179.6(2) . . . . ?
C2 N1 C9 P1 5.6(5) . . . . ?
C13 P1 C9 N2 -49.1(3) . . . . ?
Ge1 P1 C9 N2 -158.1(3) . . . . ?
C13 P1 C9 N1 133.1(3) . . . . ?
Ge1 P1 C9 N1 24.1(3) . . . . ?
C9 N2 C10 C12 127.7(5) . . . . ?
C8 N2 C10 C12 -62.2(6) . . . . ?
C9 N2 C10 C11 -106.9(5) . . . . ?
C8 N2 C10 C11 63.1(6) . . . . ?
C9 P1 C13 C18 -54.9(3) . . . . ?
Ge1 P1 C13 C18 56.8(3) . . . . ?
C9 P1 C13 C14 123.1(3) . . . . ?
Ge1 P1 C13 C14 -125.2(3) . . . . ?
C18 C13 C14 C15 2.1(6) . . . . ?
P1 C13 C14 C15 -176.0(4) . . . . ?
C18 C13 C14 C19B -156.8(9) . . . . ?
P1 C13 C14 C19B 25.1(10) . . . . ?
C18 C13 C14 C19A 175.7(5) . . . . ?
P1 C13 C14 C19A -2.4(6) . . . . ?
C13 C14 C15 C16 -1.2(8) . . . . ?
C19B C14 C15 C16 159.1(9) . . . . ?
C19A C14 C15 C16 -175.1(6) . . . . ?
C14 C15 C16 C17 0.1(8) . . . . ?
C14 C15 C16 C22B -175.3(17) . . . . ?
C14 C15 C16 C22A 177.8(10) . . . . ?
C15 C16 C17 C18 0.2(7) . . . . ?
C22B C16 C17 C18 175.9(18) . . . . ?
C22A C16 C17 C18 -177.5(10) . . . . ?
C16 C17 C18 C13 0.7(6) . . . . ?
C16 C17 C18 C25 -178.2(4) . . . . ?
C14 C13 C18 C17 -1.8(6) . . . . ?
P1 C13 C18 C17 176.1(3) . . . . ?
C14 C13 C18 C25 177.0(4) . . . . ?
P1 C13 C18 C25 -5.0(5) . . . . ?
C15 C14 C19A C21A -92.0(8) . . . . ?
C13 C14 C19A C21A 94.3(7) . . . . ?
C15 C14 C19A C20A 31.8(10) . . . . ?
C13 C14 C19A C20A -141.8(6) . . . . ?
C15 C14 C19B C21B -44.9(17) . . . . ?
C13 C14 C19B C21B 114.4(13) . . . . ?
C15 C14 C19B C20B 77.2(14) . . . . ?
C13 C14 C19B C20B -123.4(11) . . . . ?
C15 C16 C22A C23A 13.5(15) . . . . ?
C17 C16 C22A C23A -168.9(8) . . . . ?
C15 C16 C22A C24A -113(2) . . . . ?
C17 C16 C22A C24A 64.8(17) . . . . ?
C15 C16 C22B C24B 164(4) . . . . ?
C17 C16 C22B C24B -12(5) . . . . ?
C15 C16 C22B C23B -61(6) . . . . ?
C17 C16 C22B C23B 123(4) . . . . ?
C17 C18 C25 C26 63.0(4) . . . . ?
C13 C18 C25 C26 -115.8(4) . . . . ?
C17 C18 C25 C27 -61.9(4) . . . . ?
C13 C18 C25 C27 119.3(4) . . . . ?
C30 N3 C28 C29 0.8(4) . . . . ?
C6 N3 C28 C29 -176.9(3) . . . . ?
N3 C28 C29 N4 -0.5(4) . . . . ?
C30 N4 C29 C28 0.1(4) . . . . ?
C31 N4 C29 C28 174.2(3) . . . . ?
C29 N4 C30 N3 0.4(4) . . . . ?
C31 N4 C30 N3 -173.6(3) . . . . ?
C29 N4 C30 P2 178.4(2) . . . . ?
C31 N4 C30 P2 4.4(4) . . . . ?
C28 N3 C30 N4 -0.8(3) . . . . ?
C6 N3 C30 N4 176.9(3) . . . . ?
C28 N3 C30 P2 -178.6(2) . . . . ?
C6 N3 C30 P2 -0.9(5) . . . . ?
C34 P2 C30 N4 58.5(3) . . . . ?
Ge1 P2 C30 N4 167.8(2) . . . . ?
C34 P2 C30 N3 -124.1(3) . . . . ?
Ge1 P2 C30 N3 -14.8(3) . . . . ?
C30 N4 C31 C32 116.2(3) . . . . ?
C29 N4 C31 C32 -57.0(4) . . . . ?
C30 N4 C31 C33 -118.5(3) . . . . ?
C29 N4 C31 C33 68.4(4) . . . . ?
C30 P2 C34 C39 -125.9(3) . . . . ?
Ge1 P2 C34 C39 121.7(2) . . . . ?
C30 P2 C34 C35 50.6(3) . . . . ?
Ge1 P2 C34 C35 -61.8(3) . . . . ?
C39 C34 C35 C36 3.5(4) . . . . ?
P2 C34 C35 C36 -173.0(2) . . . . ?
C39 C34 C35 C40 -175.1(3) . . . . ?
P2 C34 C35 C40 8.4(4) . . . . ?
C34 C35 C36 C37 -0.9(5) . . . . ?
C40 C35 C36 C37 177.8(3) . . . . ?
C35 C36 C37 C38 -2.5(5) . . . . ?
C35 C36 C37 C43 175.6(3) . . . . ?
C36 C37 C38 C39 3.3(6) . . . . ?
C43 C37 C38 C39 -174.9(4) . . . . ?
C37 C38 C39 C34 -0.7(6) . . . . ?
C37 C38 C39 C46 179.0(4) . . . . ?
C35 C34 C39 C38 -2.7(5) . . . . ?
P2 C34 C39 C38 174.0(3) . . . . ?
C35 C34 C39 C46 177.6(3) . . . . ?
P2 C34 C39 C46 -5.7(5) . . . . ?
C36 C35 C40 C42 -61.0(4) . . . . ?
C34 C35 C40 C42 117.7(3) . . . . ?
C36 C35 C40 C41 63.1(4) . . . . ?
C34 C35 C40 C41 -118.3(3) . . . . ?
C38 C37 C43 C44 -139.9(4) . . . . ?
C36 C37 C43 C44 42.1(6) . . . . ?
C38 C37 C43 C45 95.2(5) . . . . ?
C36 C37 C43 C45 -82.9(5) . . . . ?
C38 C39 C46 C48 -53.6(5) . . . . ?
C34 C39 C46 C48 126.0(4) . . . . ?
C38 C39 C46 C47 69.5(5) . . . . ?
C34 C39 C46 C47 -110.8(4) . . . . ?
F1 C50 C51 C52 177.6(8) . . . . ?
C55 C50 C51 C52 -1.7(11) . . . . ?
C50 C51 C52 C53 5.1(12) . . . . ?
C51 C52 C53 C54 -5.2(13) . . . . ?
C52 C53 C54 C55 1.6(12) . . . . ?
F1 C50 C55 C54 179.3(8) . . . . ?
C51 C50 C55 C54 -1.4(11) . . . . ?
C53 C54 C55 C50 1.4(11) . . . . ?
