#------------------------------------------------------------------------------
#$Date: 2021-10-06 16:46:28 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269613 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/87/7128784.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_7128784
loop_
_publ_author_name
'Navarro, Miquel'
'Miranda-Pizarro, Juan'
'Moreno, Juan J.'
'Navarro-Gilabert, Carlos'
'Fernández, Israel'
'Campos, Jesús'
_publ_section_title
;
 A dicoordinate gold(I)-ethylene complex.
;
_journal_issue                   73
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9280
_journal_page_last               9283
_journal_paper_doi               10.1039/d1cc02769g
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C62 H79 Au F6 P Sb'
_chemical_formula_weight         1287.93
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-04-19 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.9020(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.6101(3)
_cell_length_b                   51.1209(11)
_cell_length_c                   18.3962(4)
_cell_measurement_reflns_used    9232
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.08
_cell_measurement_theta_min      2.29
_cell_volume                     12645.2(5)
_computing_cell_refinement       'Bruker APEX3'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker APEX3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_unetI/netI     0.0224
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       65
_diffrn_reflns_limit_k_min       -65
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            213527
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.116
_diffrn_reflns_theta_min         1.913
_diffrn_source                   'IuS 3.0 Microfocus Source'
_exptl_absorpt_coefficient_mu    2.822
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6514
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ' Apex3 v2016.9-0 (Bruker, 2016)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_description       plate
_exptl_crystal_F_000             5200
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_platon_squeeze_details
;
The unit cell contains 4 pentane molecules which have
 been treated as a diffuse contribution to the overall scattering
 without specific atom positions by SQUEEZE/PLATON.'
;
_refine_diff_density_max         2.854
_refine_diff_density_min         -2.236
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1314
_refine_ls_number_reflns         27903
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0482P)²+43.2716P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1215
_refine_ls_wR_factor_ref         0.1248
_reflns_Friedel_coverage         0.000
_reflns_number_gt                24972
_reflns_number_total             27907
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc02769g2.cif
_cod_data_source_block           jcm02821a_sq
_cod_depositor_comments
'Adding full bibliography for 7128779--7128784.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7128784
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.38410(2) 0.33380(2) 0.53273(2) 0.03824(6) Uani 1 1 d . U . . .
Au2 Au 0.86736(2) 0.35513(2) 0.03255(2) 0.03883(6) Uani 1 1 d . U . . .
C1 C 0.3717(4) 0.40092(9) 0.5333(2) 0.0329(9) Uani 1 1 d . . . . .
C2 C 0.2693(4) 0.39883(10) 0.5316(3) 0.0372(10) Uani 1 1 d . . . . .
C3 C 0.2232(4) 0.42064(11) 0.5593(3) 0.0490(13) Uani 1 1 d . . . . .
H3 H 0.1536 0.4199 0.5602 0.059 Uiso 1 1 calc R U . . .
C4 C 0.2741(5) 0.44282(11) 0.5850(3) 0.0534(14) Uani 1 1 d . . . . .
H4 H 0.2391 0.4569 0.6028 0.064 Uiso 1 1 calc R U . . .
C5 C 0.3757(4) 0.44487(10) 0.5853(3) 0.0439(12) Uani 1 1 d . . . . .
C6 C 0.4232(4) 0.42363(9) 0.5592(3) 0.0370(10) Uani 1 1 d . . . . .
H6 H 0.4929 0.4245 0.5588 0.044 Uiso 1 1 calc R U . . .
C7 C 0.2068(4) 0.37596(10) 0.5050(3) 0.0387(10) Uani 1 1 d . . . . .
C8 C 0.2069(4) 0.36502(11) 0.4357(3) 0.0436(12) Uani 1 1 d . . . . .
H8 H 0.2540 0.3709 0.4063 0.052 Uiso 1 1 calc R U . . .
C9 C 0.1395(4) 0.34559(12) 0.4088(3) 0.0485(13) Uani 1 1 d . . . . .
H9 H 0.1419 0.3384 0.3614 0.058 Uiso 1 1 calc R U . . .
C10 C 0.0690(4) 0.33643(11) 0.4491(3) 0.0440(12) Uani 1 1 d . . . . .
C11 C 0.0717(4) 0.34689(12) 0.5196(3) 0.0490(13) Uani 1 1 d . . . . .
H11 H 0.0260 0.3405 0.5495 0.059 Uiso 1 1 calc R U . . .
C12 C 0.1384(4) 0.36617(11) 0.5472(3) 0.0452(12) Uani 1 1 d . . . . .
H12 H 0.1376 0.3728 0.5953 0.054 Uiso 1 1 calc R U . . .
C13 C 0.4337(5) 0.46937(11) 0.6158(4) 0.0565(15) Uani 1 1 d . . . . .
C14 C 0.4271(7) 0.47154(14) 0.6972(4) 0.076(2) Uani 1 1 d . . . . .
H14A H 0.4643 0.4572 0.7238 0.114 Uiso 1 1 calc R U . . .
H14B H 0.3573 0.4706 0.7042 0.114 Uiso 1 1 calc R U . . .
H14C H 0.4555 0.4883 0.7161 0.114 Uiso 1 1 calc R U . . .
C15 C 0.3851(7) 0.49353(12) 0.5749(5) 0.081(2) Uani 1 1 d . . . . .
H15A H 0.4235 0.5092 0.5916 0.121 Uiso 1 1 calc R U . . .
H15B H 0.3169 0.4954 0.5851 0.121 Uiso 1 1 calc R U . . .
H15C H 0.3840 0.4913 0.5218 0.121 Uiso 1 1 calc R U . . .
C16 C 0.5416(6) 0.46864(14) 0.6057(5) 0.087(3) Uani 1 1 d . . . . .
H16A H 0.5747 0.4847 0.6253 0.131 Uiso 1 1 calc R U . . .
H16B H 0.5461 0.4672 0.5532 0.131 Uiso 1 1 calc R U . . .
H16C H 0.5742 0.4535 0.6320 0.131 Uiso 1 1 calc R U . . .
C17 C -0.0103(4) 0.31607(14) 0.4201(4) 0.0573(15) Uani 1 1 d . . . . .
C18 C -0.0086(5) 0.30982(15) 0.3390(4) 0.0687(19) Uani 1 1 d . . . . .
H18A H -0.0543 0.2953 0.3237 0.103 Uiso 1 1 calc R U . . .
H18B H 0.0589 0.3048 0.3323 0.103 Uiso 1 1 calc R U . . .
H18C H -0.0294 0.3253 0.3091 0.103 Uiso 1 1 calc R U . . .
C19 C 0.0071(7) 0.29106(15) 0.4660(5) 0.087(3) Uani 1 1 d . . . . .
H19A H 0.0059 0.2952 0.5179 0.131 Uiso 1 1 calc R U . . .
H19B H 0.0720 0.2836 0.4606 0.131 Uiso 1 1 calc R U . . .
H19C H -0.0453 0.2784 0.4489 0.131 Uiso 1 1 calc R U . . .
C20 C -0.1123(5) 0.3271(2) 0.4282(5) 0.088(3) Uani 1 1 d . . . . .
H20A H -0.1182 0.3284 0.4805 0.132 Uiso 1 1 calc R U . . .
H20B H -0.1643 0.3155 0.4034 0.132 Uiso 1 1 calc R U . . .
H20C H -0.1199 0.3445 0.4058 0.132 Uiso 1 1 calc R U . . .
C21 C 0.4653(3) 0.37895(8) 0.4146(2) 0.0298(9) Uani 1 1 d . . . . .
C22 C 0.5109(3) 0.35988(8) 0.3761(2) 0.0307(9) Uani 1 1 d . . . . .
C23 C 0.5249(4) 0.36590(9) 0.3046(3) 0.0369(10) Uani 1 1 d . . . . .
H23 H 0.5561 0.3535 0.2773 0.044 Uiso 1 1 calc R U . . .
C24 C 0.4945(4) 0.38959(10) 0.2724(3) 0.0390(11) Uani 1 1 d . . . . .
H24 H 0.5053 0.3930 0.2235 0.047 Uiso 1 1 calc R U . . .
C25 C 0.4484(4) 0.40849(9) 0.3098(2) 0.0342(10) Uani 1 1 d . . . . .
C26 C 0.4341(4) 0.40260(9) 0.3808(2) 0.0336(9) Uani 1 1 d . . . . .
H26 H 0.4019 0.4150 0.4075 0.040 Uiso 1 1 calc R U . . .
C27 C 0.5452(4) 0.33407(9) 0.4088(3) 0.0336(9) Uani 1 1 d . . . . .
C28 C 0.4938(5) 0.31138(10) 0.3863(3) 0.0524(14) Uani 1 1 d . . . . .
H28 H 0.4357 0.3123 0.3503 0.063 Uiso 1 1 calc R U . . .
C29 C 0.5262(5) 0.28735(10) 0.4158(4) 0.0597(17) Uani 1 1 d . . . . .
H29 H 0.4900 0.2720 0.3991 0.072 Uiso 1 1 calc R U . . .
C30 C 0.6099(4) 0.28504(9) 0.4691(3) 0.0398(11) Uani 1 1 d . . . . .
C31 C 0.6596(4) 0.30774(9) 0.4915(3) 0.0431(12) Uani 1 1 d . . . . .
H31 H 0.7166 0.3069 0.5285 0.052 Uiso 1 1 calc R U . . .
C32 C 0.6286(4) 0.33199(9) 0.4616(3) 0.0415(11) Uani 1 1 d . . . . .
H32 H 0.6654 0.3473 0.4778 0.050 Uiso 1 1 calc R U . . .
C33 C 0.4141(4) 0.43475(10) 0.2728(3) 0.0446(12) Uani 1 1 d . . . . .
C34 C 0.5045(6) 0.44838(12) 0.2495(4) 0.0639(18) Uani 1 1 d . . . . .
H34A H 0.5545 0.4516 0.2929 0.096 Uiso 1 1 calc R U . . .
H34B H 0.4838 0.4651 0.2258 0.096 Uiso 1 1 calc R U . . .
H34C H 0.5329 0.4372 0.2148 0.096 Uiso 1 1 calc R U . . .
C35 C 0.3691(6) 0.45289(12) 0.3242(4) 0.070(2) Uani 1 1 d . . . . .
H35A H 0.4178 0.4562 0.3683 0.105 Uiso 1 1 calc R U . . .
H35B H 0.3097 0.4447 0.3384 0.105 Uiso 1 1 calc R U . . .
H35C H 0.3506 0.4695 0.2991 0.105 Uiso 1 1 calc R U . . .
C36 C 0.3368(5) 0.42886(13) 0.2044(4) 0.0641(18) Uani 1 1 d . . . . .
H36A H 0.3170 0.4452 0.1784 0.096 Uiso 1 1 calc R U . . .
H36B H 0.2783 0.4206 0.2196 0.096 Uiso 1 1 calc R U . . .
H36C H 0.3660 0.4170 0.1716 0.096 Uiso 1 1 calc R U . . .
C37 C 0.6446(5) 0.25834(10) 0.5016(4) 0.0525(14) Uani 1 1 d . . . . .
C38 C 0.6443(17) 0.2393(2) 0.4442(7) 0.241(12) Uani 1 1 d . . . . .
H38A H 0.6633 0.2222 0.4661 0.362 Uiso 1 1 calc R U . . .
H38B H 0.6918 0.2445 0.4120 0.362 Uiso 1 1 calc R U . . .
H38C H 0.5775 0.2382 0.4155 0.362 Uiso 1 1 calc R U . . .
C39 C 0.5735(11) 0.2488(3) 0.5491(10) 0.193(9) Uani 1 1 d . . . . .
H39A H 0.6019 0.2336 0.5773 0.289 Uiso 1 1 calc R U . . .
H39B H 0.5110 0.2438 0.5184 0.289 Uiso 1 1 calc R U . . .
H39C H 0.5607 0.2627 0.5831 0.289 Uiso 1 1 calc R U . . .
C40 C 0.7406(9) 0.25953(18) 0.5492(10) 0.194(9) Uani 1 1 d . . . . .
H40A H 0.7529 0.2430 0.5760 0.291 Uiso 1 1 calc R U . . .
H40B H 0.7403 0.2739 0.5844 0.291 Uiso 1 1 calc R U . . .
H40C H 0.7932 0.2625 0.5193 0.291 Uiso 1 1 calc R U . . .
C41 C 0.5697(3) 0.38002(9) 0.5635(2) 0.0315(9) Uani 1 1 d . . . . .
C42 C 0.5953(4) 0.37003(10) 0.6346(3) 0.0363(10) Uani 1 1 d . . . . .
C43 C 0.6908(4) 0.37546(12) 0.6704(3) 0.0489(13) Uani 1 1 d . . . . .
H43 H 0.7115 0.3684 0.7180 0.059 Uiso 1 1 calc R U . . .
C44 C 0.7566(4) 0.39080(12) 0.6392(3) 0.0514(14) Uani 1 1 d . . . . .
H44 H 0.8209 0.3941 0.6659 0.062 Uiso 1 1 calc R U . . .
C45 C 0.7308(4) 0.40149(10) 0.5696(3) 0.0407(11) Uani 1 1 d . . . . .
C46 C 0.6379(4) 0.39545(9) 0.5326(3) 0.0357(10) Uani 1 1 d . . . . .
H46 H 0.6192 0.4020 0.4841 0.043 Uiso 1 1 calc R U . . .
C47 C 0.5285(4) 0.35415(10) 0.6749(2) 0.0371(10) Uani 1 1 d . . . . .
C48 C 0.5610(4) 0.32982(11) 0.7030(3) 0.0443(12) Uani 1 1 d . . . . .
H48 H 0.6199 0.3223 0.6902 0.053 Uiso 1 1 calc R U . . .
C49 C 0.5070(4) 0.31651(12) 0.7500(3) 0.0502(13) Uani 1 1 d . . . . .
H49 H 0.5290 0.2997 0.7681 0.060 Uiso 1 1 calc R U . . .
C50 C 0.4217(4) 0.32726(13) 0.7711(3) 0.0503(14) Uani 1 1 d . . . . .
C51 C 0.3881(4) 0.35073(12) 0.7409(3) 0.0471(13) Uani 1 1 d . . . . .
H51 H 0.3280 0.3579 0.7525 0.056 Uiso 1 1 calc R U . . .
C52 C 0.4409(4) 0.36450(12) 0.6930(3) 0.0435(12) Uani 1 1 d . . . . .
H52 H 0.4167 0.3808 0.6731 0.052 Uiso 1 1 calc R U . . .
C53 C 0.8044(5) 0.41827(15) 0.5346(4) 0.0689(19) Uani 1 1 d . U . . .
C54 C 0.8443(11) 0.4401(3) 0.5947(7) 0.157(5) Uani 1 1 d . U . . .
H54A H 0.9124 0.4450 0.5894 0.235 Uiso 1 1 calc R U . . .
H54B H 0.8433 0.4331 0.6441 0.235 Uiso 1 1 calc R U . . .
H54C H 0.8014 0.4555 0.5871 0.235 Uiso 1 1 calc R U . . .
C55 C 0.8972(8) 0.4058(3) 0.5377(9) 0.167(5) Uani 1 1 d . U . . .
H55A H 0.9118 0.3958 0.5835 0.251 Uiso 1 1 calc R U . . .
H55B H 0.8953 0.3940 0.4956 0.251 Uiso 1 1 calc R U . . .
H55C H 0.9491 0.4190 0.5362 0.251 Uiso 1 1 calc R U . . .
C56 C 0.7561(7) 0.4349(2) 0.4759(6) 0.134(4) Uani 1 1 d . U . . .
H56A H 0.8016 0.4490 0.4666 0.201 Uiso 1 1 calc R U . . .
H56B H 0.6959 0.4426 0.4904 0.201 Uiso 1 1 calc R U . . .
H56C H 0.7380 0.4245 0.4311 0.201 Uiso 1 1 calc R U . . .
C57 C 0.3691(5) 0.31292(16) 0.8276(4) 0.069(2) Uani 1 1 d . . . . .
C58 C 0.3211(16) 0.2893(3) 0.7957(8) 0.266(14) Uani 1 1 d . . . . .
H58A H 0.3660 0.2802 0.7675 0.399 Uiso 1 1 calc R U . . .
H58B H 0.2597 0.2940 0.7631 0.399 Uiso 1 1 calc R U . . .
H58C H 0.3053 0.2779 0.8351 0.399 Uiso 1 1 calc R U . . .
C59 C 0.2869(10) 0.3300(3) 0.8529(8) 0.179(8) Uani 1 1 d . . . . .
H59A H 0.2220 0.3248 0.8262 0.269 Uiso 1 1 calc R U . . .
H59B H 0.2993 0.3485 0.8428 0.269 Uiso 1 1 calc R U . . .
H59C H 0.2875 0.3277 0.9059 0.269 Uiso 1 1 calc R U . . .
C60 C 0.4401(8) 0.3073(3) 0.8938(6) 0.169(7) Uani 1 1 d . . . . .
H60A H 0.4077 0.2966 0.9275 0.254 Uiso 1 1 calc R U . . .
H60B H 0.4633 0.3237 0.9180 0.254 Uiso 1 1 calc R U . . .
H60C H 0.4969 0.2977 0.8802 0.254 Uiso 1 1 calc R U . . .
C61 C 0.2892(9) 0.30148(19) 0.5591(10) 0.158(6) Uani 1 1 d . U . . .
H61A H 0.2637 0.3030 0.6065 0.189 Uiso 1 1 calc R U . . .
H61B H 0.2378 0.2956 0.5184 0.189 Uiso 1 1 calc R U . . .
C62 C 0.3615(9) 0.29236(19) 0.5618(9) 0.150(6) Uani 1 1 d . U . . .
H62A H 0.3680 0.2793 0.5231 0.180 Uiso 1 1 calc R U . . .
H62B H 0.3939 0.2868 0.6113 0.180 Uiso 1 1 calc R U . . .
C101 C 0.8746(3) 0.42169(9) -0.0026(2) 0.0302(9) Uani 1 1 d . . . . .
C102 C 0.9777(3) 0.42008(9) -0.0004(3) 0.0331(9) Uani 1 1 d . . . . .
C103 C 1.0233(4) 0.43936(11) -0.0374(3) 0.0460(12) Uani 1 1 d . . . . .
H103 H 1.0929 0.4384 -0.0378 0.055 Uiso 1 1 calc R U . . .
C104 C 0.9702(4) 0.45970(10) -0.0733(3) 0.0470(13) Uani 1 1 d . . . . .
H104 H 1.0041 0.4725 -0.0976 0.056 Uiso 1 1 calc R U . . .
C105 C 0.8682(4) 0.46202(10) -0.0748(3) 0.0405(11) Uani 1 1 d . . . . .
C106 C 0.8228(3) 0.44272(9) -0.0394(3) 0.0338(9) Uani 1 1 d . . . . .
H106 H 0.7530 0.4438 -0.0400 0.041 Uiso 1 1 calc R U . . .
C107 C 1.0413(3) 0.39878(9) 0.0363(3) 0.0344(10) Uani 1 1 d . . . . .
C108 C 1.0497(4) 0.39406(10) 0.1116(3) 0.0410(11) Uani 1 1 d . . . . .
H108 H 1.0093 0.4035 0.1403 0.049 Uiso 1 1 calc R U . . .
C109 C 1.1174(4) 0.37554(10) 0.1448(3) 0.0430(11) Uani 1 1 d . . . . .
H109 H 1.1223 0.3727 0.1963 0.052 Uiso 1 1 calc R U . . .
C110 C 1.1776(4) 0.36118(9) 0.1057(3) 0.0389(11) Uani 1 1 d . . . . .
C111 C 1.1660(4) 0.36557(11) 0.0300(3) 0.0439(12) Uani 1 1 d . . . . .
H111 H 1.2048 0.3557 0.0011 0.053 Uiso 1 1 calc R U . . .
C112 C 1.1000(4) 0.38376(11) -0.0036(3) 0.0436(11) Uani 1 1 d . . . . .
H112 H 1.0941 0.3862 -0.0553 0.052 Uiso 1 1 calc R U . . .
C113 C 0.8078(4) 0.48448(12) -0.1155(4) 0.0558(15) Uani 1 1 d . . . . .
C114 C 0.7043(7) 0.4842(2) -0.1112(8) 0.158(6) Uani 1 1 d . . . . .
H11A H 0.6946 0.4868 -0.0600 0.237 Uiso 1 1 calc R U . . .
H11B H 0.6761 0.4672 -0.1286 0.237 Uiso 1 1 calc R U . . .
H11C H 0.6709 0.4982 -0.1420 0.237 Uiso 1 1 calc R U . . .
C115 C 0.8526(10) 0.51008(19) -0.0883(11) 0.218(10) Uani 1 1 d . . . . .
H11D H 0.8306 0.5145 -0.0416 0.326 Uiso 1 1 calc R U . . .
H11E H 0.8312 0.5238 -0.1246 0.326 Uiso 1 1 calc R U . . .
H11F H 0.9253 0.5087 -0.0809 0.326 Uiso 1 1 calc R U . . .
C116 C 0.8222(11) 0.4842(3) -0.1945(6) 0.176(7) Uani 1 1 d . . . . .
H11G H 0.7908 0.4685 -0.2185 0.264 Uiso 1 1 calc R U . . .
H11H H 0.8934 0.4840 -0.1974 0.264 Uiso 1 1 calc R U . . .
H11I H 0.7917 0.4998 -0.2193 0.264 Uiso 1 1 calc R U . . .
C117 C 1.2566(4) 0.34166(10) 0.1409(3) 0.0455(12) Uani 1 1 d . . . . .
C118 C 1.2629(5) 0.34095(14) 0.2250(4) 0.0667(18) Uani 1 1 d . . . . .
H11J H 1.2858 0.3580 0.2456 0.100 Uiso 1 1 calc R U . . .
H11K H 1.3098 0.3273 0.2454 0.100 Uiso 1 1 calc R U . . .
H11L H 1.1970 0.3371 0.2376 0.100 Uiso 1 1 calc R U . . .
C119 C 1.2331(5) 0.31441(12) 0.1093(5) 0.071(2) Uani 1 1 d . . . . .
H11M H 1.1701 0.3083 0.1228 0.106 Uiso 1 1 calc R U . . .
H11N H 1.2865 0.3023 0.1292 0.106 Uiso 1 1 calc R U . . .
H11O H 1.2277 0.3150 0.0556 0.106 Uiso 1 1 calc R U . . .
C120 C 1.3587(4) 0.35025(12) 0.1231(4) 0.0595(16) Uani 1 1 d . . . . .
H12A H 1.3565 0.3508 0.0696 0.089 Uiso 1 1 calc R U . . .
H12B H 1.4096 0.3377 0.1445 0.089 Uiso 1 1 calc R U . . .
H12C H 1.3750 0.3677 0.1438 0.089 Uiso 1 1 calc R U . . .
C121 C 0.7813(3) 0.40694(9) 0.1232(2) 0.0298(9) Uani 1 1 d . . . . .
C122 C 0.7501(3) 0.39001(9) 0.1753(3) 0.0339(9) Uani 1 1 d . . . . .
C123 C 0.7443(4) 0.40055(11) 0.2445(3) 0.0443(12) Uani 1 1 d . . . . .
H123 H 0.7249 0.3895 0.2814 0.053 Uiso 1 1 calc R U . . .
C124 C 0.7660(4) 0.42662(11) 0.2613(3) 0.0467(12) Uani 1 1 d . . . . .
H124 H 0.7617 0.4329 0.3093 0.056 Uiso 1 1 calc R U . . .
C125 C 0.7935(4) 0.44357(9) 0.2100(3) 0.0369(10) Uani 1 1 d . . . . .
C126 C 0.8023(3) 0.43320(9) 0.1418(3) 0.0323(9) Uani 1 1 d . . . . .
H126 H 0.8236 0.4444 0.1060 0.039 Uiso 1 1 calc R U . . .
C127 C 0.7222(4) 0.36203(9) 0.1627(3) 0.0350(10) Uani 1 1 d . . . . .
C128 C 0.7652(4) 0.34309(11) 0.2114(3) 0.0511(14) Uani 1 1 d . . . . .
H128 H 0.8166 0.3478 0.2502 0.061 Uiso 1 1 calc R U . . .
C129 C 0.7340(5) 0.31717(11) 0.2041(4) 0.0623(17) Uani 1 1 d . . . . .
H129 H 0.7646 0.3046 0.2384 0.075 Uiso 1 1 calc R U . . .
C130 C 0.6600(5) 0.30911(10) 0.1487(3) 0.0508(13) Uani 1 1 d . . . . .
C131 C 0.6181(4) 0.32792(10) 0.0998(3) 0.0455(12) Uani 1 1 d . . . . .
H131 H 0.5674 0.3230 0.0607 0.055 Uiso 1 1 calc R U . . .
C132 C 0.6486(4) 0.35416(9) 0.1064(3) 0.0403(11) Uani 1 1 d . . . . .
H132 H 0.6183 0.3667 0.0718 0.048 Uiso 1 1 calc R U . . .
C133 C 0.8123(4) 0.47304(11) 0.2239(3) 0.0469(12) Uani 1 1 d . . . . .
C134 C 0.8070(6) 0.48026(13) 0.3035(4) 0.0662(18) Uani 1 1 d . . . . .
H13A H 0.8549 0.4697 0.3364 0.099 Uiso 1 1 calc R U . . .
H13B H 0.7397 0.4769 0.3141 0.099 Uiso 1 1 calc R U . . .
H13C H 0.8228 0.4989 0.3112 0.099 Uiso 1 1 calc R U . . .
C135 C 0.9153(5) 0.48009(13) 0.2076(4) 0.071(2) Uani 1 1 d . . . . .
H13D H 0.9268 0.4989 0.2155 0.107 Uiso 1 1 calc R U . . .
H13E H 0.9198 0.4757 0.1563 0.107 Uiso 1 1 calc R U . . .
H13F H 0.9657 0.4702 0.2404 0.107 Uiso 1 1 calc R U . . .
C136 C 0.7333(6) 0.48848(12) 0.1745(4) 0.0676(18) Uani 1 1 d . . . . .
H13G H 0.6673 0.4828 0.1828 0.101 Uiso 1 1 calc R U . . .
H13H H 0.7403 0.4855 0.1229 0.101 Uiso 1 1 calc R U . . .
H13I H 0.7415 0.5072 0.1857 0.101 Uiso 1 1 calc R U . . .
C137 C 0.6246(7) 0.28043(12) 0.1428(6) 0.091(3) Uani 1 1 d . U . . .
C138 C 0.6024(15) 0.2714(3) 0.2157(10) 0.204(6) Uani 1 1 d . U . . .
H13J H 0.5896 0.2525 0.2139 0.306 Uiso 1 1 calc R U . . .
H13K H 0.5436 0.2806 0.2274 0.306 Uiso 1 1 calc R U . . .
H13L H 0.6594 0.2751 0.2538 0.306 Uiso 1 1 calc R U . . .
C139 C 0.5280(11) 0.2770(2) 0.0996(10) 0.181(6) Uani 1 1 d . U . . .
H13M H 0.5345 0.2762 0.0474 0.271 Uiso 1 1 calc R U . . .
H13N H 0.4853 0.2918 0.1080 0.271 Uiso 1 1 calc R U . . .
H13O H 0.4984 0.2607 0.1141 0.271 Uiso 1 1 calc R U . . .
C140 C 0.7028(11) 0.2635(2) 0.1307(12) 0.207(7) Uani 1 1 d . U . . .
H14D H 0.6905 0.2460 0.1490 0.311 Uiso 1 1 calc R U . . .
H14E H 0.7660 0.2702 0.1569 0.311 Uiso 1 1 calc R U . . .
H14F H 0.7060 0.2626 0.0779 0.311 Uiso 1 1 calc R U . . .
C141 C 0.6820(3) 0.39852(8) -0.0274(2) 0.0294(9) Uani 1 1 d . . . . .
C142 C 0.6666(3) 0.38551(10) -0.0950(3) 0.0367(10) Uani 1 1 d . . . . .
C143 C 0.5733(4) 0.38809(13) -0.1372(3) 0.0544(15) Uani 1 1 d . . . . .
H143 H 0.5596 0.3788 -0.1824 0.065 Uiso 1 1 calc R U . . .
C144 C 0.4998(4) 0.40360(14) -0.1160(3) 0.0559(15) Uani 1 1 d . . . . .
H144 H 0.4372 0.4048 -0.1468 0.067 Uiso 1 1 calc R U . . .
C145 C 0.5160(4) 0.41746(10) -0.0503(3) 0.0380(10) Uani 1 1 d . . . . .
C146 C 0.6075(3) 0.41399(9) -0.0059(2) 0.0322(9) Uani 1 1 d . . . . .
H146 H 0.6195 0.4224 0.0406 0.039 Uiso 1 1 calc R U . . .
C147 C 0.7454(4) 0.37026(10) -0.1248(3) 0.0367(10) Uani 1 1 d . . . . .
C148 C 0.7329(4) 0.34347(10) -0.1381(3) 0.0385(10) Uani 1 1 d . . . . .
H148 H 0.6786 0.3346 -0.1224 0.046 Uiso 1 1 calc R U . . .
C149 C 0.7985(4) 0.32965(10) -0.1739(3) 0.0417(11) Uani 1 1 d . . . . .
H149 H 0.7890 0.3114 -0.1818 0.050 Uiso 1 1 calc R U . . .
C150 C 0.8792(4) 0.34213(9) -0.1987(3) 0.0375(10) Uani 1 1 d . . . . .
C151 C 0.8931(4) 0.36849(10) -0.1832(3) 0.0378(10) Uani 1 1 d . . . . .
H151 H 0.9490 0.3772 -0.1970 0.045 Uiso 1 1 calc R U . . .
C152 C 0.8270(4) 0.38234(10) -0.1477(3) 0.0396(11) Uani 1 1 d . . . . .
H152 H 0.8376 0.4005 -0.1389 0.047 Uiso 1 1 calc R U . . .
C153 C 0.4362(4) 0.43558(13) -0.0287(3) 0.0503(14) Uani 1 1 d . . . . .
C154 C 0.4722(5) 0.45050(17) 0.0422(4) 0.081(2) Uani 1 1 d . . . . .
H15D H 0.4862 0.4381 0.0832 0.121 Uiso 1 1 calc R U . . .
H15E H 0.4206 0.4628 0.0520 0.121 Uiso 1 1 calc R U . . .
H15F H 0.5330 0.4601 0.0371 0.121 Uiso 1 1 calc R U . . .
C155 C 0.3440(5) 0.41950(17) -0.0194(5) 0.077(2) Uani 1 1 d . . . . .
H15G H 0.3196 0.4103 -0.0655 0.115 Uiso 1 1 calc R U . . .
H15H H 0.2919 0.4312 -0.0069 0.115 Uiso 1 1 calc R U . . .
H15I H 0.3614 0.4067 0.0201 0.115 Uiso 1 1 calc R U . . .
C156 C 0.4096(5) 0.45606(14) -0.0897(4) 0.0667(18) Uani 1 1 d . . . . .
H15J H 0.4683 0.4668 -0.0936 0.100 Uiso 1 1 calc R U . . .
H15K H 0.3559 0.4673 -0.0778 0.100 Uiso 1 1 calc R U . . .
H15L H 0.3878 0.4472 -0.1367 0.100 Uiso 1 1 calc R U . . .
C157 C 0.9463(4) 0.32669(11) -0.2436(3) 0.0492(13) Uani 1 1 d . . . . .
C158 C 0.9970(6) 0.30449(13) -0.1954(4) 0.071(2) Uani 1 1 d . . . . .
H15M H 1.0379 0.2941 -0.2239 0.107 Uiso 1 1 calc R U . . .
H15N H 0.9462 0.2933 -0.1790 0.107 Uiso 1 1 calc R U . . .
H15O H 1.0392 0.3119 -0.1524 0.107 Uiso 1 1 calc R U . . .
C159 C 1.0250(5) 0.34348(12) -0.2693(4) 0.0591(16) Uani 1 1 d . . . . .
H15P H 0.9933 0.3573 -0.3016 0.089 Uiso 1 1 calc R U . . .
H15Q H 1.0666 0.3327 -0.2964 0.089 Uiso 1 1 calc R U . . .
H15R H 1.0665 0.3514 -0.2266 0.089 Uiso 1 1 calc R U . . .
C160 C 0.8826(6) 0.31480(15) -0.3114(4) 0.073(2) Uani 1 1 d . . . . .
H16D H 0.8528 0.3289 -0.3438 0.110 Uiso 1 1 calc R U . . .
H16E H 0.8298 0.3041 -0.2960 0.110 Uiso 1 1 calc R U . . .
H16F H 0.9243 0.3038 -0.3380 0.110 Uiso 1 1 calc R U . . .
C161 C 0.9247(13) 0.3162(2) 0.0112(6) 0.170(7) Uani 1 1 d . U . . .
H16G H 0.8747 0.3034 -0.0119 0.204 Uiso 1 1 calc R U . . .
H16H H 0.9868 0.3159 -0.0106 0.204 Uiso 1 1 calc R U . . .
C162 C 0.9344(9) 0.31733(17) 0.0727(7) 0.115(4) Uani 1 1 d . U . . .
H16I H 1.0039 0.3181 0.0983 0.138 Uiso 1 1 calc R U . . .
H16J H 0.8917 0.3056 0.0970 0.138 Uiso 1 1 calc R U . . .
F1 F 0.6412(4) 0.22513(10) 0.7406(3) 0.1122(18) Uani 1 1 d . . . . .
F2 F 0.8337(5) 0.23361(14) 0.7624(5) 0.139(2) Uani 1 1 d . . . . .
F3 F 0.7471(5) 0.21383(10) 0.8675(4) 0.126(2) Uani 1 1 d . . . . .
F4 F 0.8204(5) 0.26149(11) 0.8788(4) 0.122(2) Uani 1 1 d . . . . .
F5 F 0.6393(9) 0.25299(12) 0.8557(4) 0.196(5) Uani 1 1 d . . . . .
F6 F 0.7095(4) 0.27349(9) 0.7522(3) 0.0982(16) Uani 1 1 d . . . . .
F7 F 0.1435(4) 0.39877(9) 0.8313(2) 0.0897(14) Uani 1 1 d . . . . .
F8 F 0.2634(3) 0.42362(10) 0.7556(3) 0.0851(13) Uani 1 1 d . . . . .
F9 F 0.0985(4) 0.40189(9) 0.6876(2) 0.0916(15) Uani 1 1 d . . . . .
F10 F 0.1590(3) 0.45019(8) 0.8394(2) 0.0780(12) Uani 1 1 d . . . . .
F11 F -0.0061(3) 0.42756(11) 0.7716(3) 0.0957(15) Uani 1 1 d . . . . .
F12 F 0.1130(4) 0.45310(8) 0.6943(2) 0.0821(12) Uani 1 1 d . . . . .
P1 P 0.44810(9) 0.37365(2) 0.50969(6) 0.0293(2) Uani 1 1 d . . . . .
P2 P 0.80164(8) 0.39622(2) 0.03240(6) 0.0276(2) Uani 1 1 d . . . . .
Sb1 Sb 0.72862(4) 0.24375(2) 0.81028(4) 0.07401(15) Uani 1 1 d . . . . .
Sb2 Sb 0.12863(3) 0.42600(2) 0.76322(2) 0.05404(11) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Au Au -2.0133 8.8022 '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
C61 Au1 C62 28.4(4) . . ?
C61 Au1 P1 165.3(4) . . ?
C62 Au1 P1 165.7(3) . . ?
C161 Au2 C162 29.4(3) . . ?
C161 Au2 P2 169.8(3) . . ?
C162 Au2 P2 160.8(3) . . ?
C2 C1 C6 121.1(4) . . ?
C2 C1 P1 122.6(4) . . ?
C6 C1 P1 116.1(4) . . ?
C1 C2 C3 115.5(5) . . ?
C1 C2 C7 126.0(4) . . ?
C3 C2 C7 118.4(5) . . ?
C4 C3 C2 123.1(5) . . ?
C4 C3 H3 118.4 . . ?
C2 C3 H3 118.4 . . ?
C3 C4 C5 120.9(5) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 117.3(5) . . ?
C4 C5 C13 121.2(5) . . ?
C6 C5 C13 121.5(5) . . ?
C5 C6 C1 122.0(5) . . ?
C5 C6 H6 119.0 . . ?
C1 C6 H6 119.0 . . ?
C8 C7 C12 117.4(5) . . ?
C8 C7 C2 122.5(5) . . ?
C12 C7 C2 119.9(4) . . ?
C9 C8 C7 121.3(5) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C10 C9 C8 121.7(5) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 116.6(5) . . ?
C9 C10 C17 123.6(5) . . ?
C11 C10 C17 119.8(5) . . ?
C12 C11 C10 122.3(5) . . ?
C12 C11 H11 118.8 . . ?
C10 C11 H11 118.8 . . ?
C11 C12 C7 120.6(5) . . ?
C11 C12 H12 119.7 . . ?
C7 C12 H12 119.7 . . ?
C16 C13 C14 109.3(7) . . ?
C16 C13 C5 112.9(5) . . ?
C14 C13 C5 108.3(5) . . ?
C16 C13 C15 108.2(6) . . ?
C14 C13 C15 109.7(6) . . ?
C5 C13 C15 108.5(6) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C20 C17 C18 108.8(6) . . ?
C20 C17 C19 108.7(7) . . ?
C18 C17 C19 109.8(6) . . ?
C20 C17 C10 108.5(6) . . ?
C18 C17 C10 111.4(5) . . ?
C19 C17 C10 109.5(5) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 120.3(4) . . ?
C26 C21 P1 118.8(3) . . ?
C22 C21 P1 120.9(3) . . ?
C23 C22 C21 117.3(4) . . ?
C23 C22 C27 119.7(4) . . ?
C21 C22 C27 123.0(4) . . ?
C24 C23 C22 121.5(5) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C23 C24 C25 121.6(4) . . ?
C23 C24 H24 119.2 . . ?
C25 C24 H24 119.2 . . ?
C26 C25 C24 117.2(4) . . ?
C26 C25 C33 121.9(4) . . ?
C24 C25 C33 121.0(4) . . ?
C25 C26 C21 122.1(4) . . ?
C25 C26 H26 119.0 . . ?
C21 C26 H26 119.0 . . ?
C32 C27 C28 118.0(4) . . ?
C32 C27 C22 121.6(4) . . ?
C28 C27 C22 120.5(4) . . ?
C27 C28 C29 120.6(5) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C28 C29 C30 121.9(5) . . ?
C28 C29 H29 119.1 . . ?
C30 C29 H29 119.1 . . ?
C31 C30 C29 116.9(5) . . ?
C31 C30 C37 121.8(5) . . ?
C29 C30 C37 121.3(5) . . ?
C30 C31 C32 121.9(5) . . ?
C30 C31 H31 119.1 . . ?
C32 C31 H31 119.1 . . ?
C27 C32 C31 120.8(5) . . ?
C27 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C35 C33 C34 108.4(5) . . ?
C35 C33 C36 109.8(6) . . ?
C34 C33 C36 109.6(5) . . ?
C35 C33 C25 112.3(4) . . ?
C34 C33 C25 108.5(5) . . ?
C36 C33 C25 108.2(4) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C40 111.8(11) . . ?
C38 C37 C39 106.4(12) . . ?
C40 C37 C39 105.4(11) . . ?
C38 C37 C30 110.6(6) . . ?
C40 C37 C30 113.0(5) . . ?
C39 C37 C30 109.4(6) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C46 119.9(4) . . ?
C42 C41 P1 121.2(4) . . ?
C46 C41 P1 118.8(3) . . ?
C43 C42 C41 116.7(4) . . ?
C43 C42 C47 118.0(4) . . ?
C41 C42 C47 125.3(4) . . ?
C44 C43 C42 122.4(5) . . ?
C44 C43 H43 118.8 . . ?
C42 C43 H43 118.8 . . ?
C43 C44 C45 121.3(5) . . ?
C43 C44 H44 119.3 . . ?
C45 C44 H44 119.3 . . ?
C46 C45 C44 116.8(5) . . ?
C46 C45 C53 121.9(5) . . ?
C44 C45 C53 121.3(5) . . ?
C45 C46 C41 122.7(4) . . ?
C45 C46 H46 118.6 . . ?
C41 C46 H46 118.6 . . ?
C52 C47 C48 119.0(5) . . ?
C52 C47 C42 121.4(5) . . ?
C48 C47 C42 119.0(5) . . ?
C47 C48 C49 119.9(5) . . ?
C47 C48 H48 120.1 . . ?
C49 C48 H48 120.1 . . ?
C50 C49 C48 121.4(5) . . ?
C50 C49 H49 119.3 . . ?
C48 C49 H49 119.3 . . ?
C51 C50 C49 118.2(5) . . ?
C51 C50 C57 122.1(6) . . ?
C49 C50 C57 119.7(6) . . ?
C50 C51 C52 121.4(5) . . ?
C50 C51 H51 119.3 . . ?
C52 C51 H51 119.3 . . ?
C47 C52 C51 119.9(5) . . ?
C47 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C55 C53 C56 126.6(9) . . ?
C55 C53 C45 111.7(7) . . ?
C56 C53 C45 113.0(6) . . ?
C55 C53 C54 94.7(10) . . ?
C56 C53 C54 99.8(9) . . ?
C45 C53 C54 105.8(7) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C60 111.7(12) . . ?
C58 C57 C50 110.5(7) . . ?
C60 C57 C50 109.9(6) . . ?
C58 C57 C59 106.9(12) . . ?
C60 C57 C59 106.1(9) . . ?
C50 C57 C59 111.6(7) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 Au1 76.9(7) . . ?
C62 C61 H61A 115.7 . . ?
Au1 C61 H61A 115.7 . . ?
C62 C61 H61B 115.7 . . ?
Au1 C61 H61B 115.7 . . ?
H61A C61 H61B 112.7 . . ?
C61 C62 Au1 74.7(6) . . ?
C61 C62 H62A 116.0 . . ?
Au1 C62 H62A 116.0 . . ?
C61 C62 H62B 116.0 . . ?
Au1 C62 H62B 116.0 . . ?
H62A C62 H62B 113.0 . . ?
C106 C101 C102 119.1(4) . . ?
C106 C101 P2 117.4(3) . . ?
C102 C101 P2 123.3(3) . . ?
C103 C102 C101 117.6(4) . . ?
C103 C102 C107 117.8(4) . . ?
C101 C102 C107 124.5(4) . . ?
C104 C103 C102 121.9(5) . . ?
C104 C103 H103 119.1 . . ?
C102 C103 H103 119.1 . . ?
C103 C104 C105 121.5(5) . . ?
C103 C104 H104 119.2 . . ?
C105 C104 H104 119.2 . . ?
C106 C105 C104 116.7(4) . . ?
C106 C105 C113 121.2(5) . . ?
C104 C105 C113 122.1(5) . . ?
C105 C106 C101 123.2(4) . . ?
C105 C106 H106 118.4 . . ?
C101 C106 H106 118.4 . . ?
C108 C107 C112 117.5(4) . . ?
C108 C107 C102 122.1(4) . . ?
C112 C107 C102 120.3(4) . . ?
C109 C108 C107 120.1(5) . . ?
C109 C108 H108 120.0 . . ?
C107 C108 H108 120.0 . . ?
C110 C109 C108 122.4(5) . . ?
C110 C109 H109 118.8 . . ?
C108 C109 H109 118.8 . . ?
C109 C110 C111 116.8(4) . . ?
C109 C110 C117 123.9(5) . . ?
C111 C110 C117 119.3(5) . . ?
C112 C111 C110 121.6(5) . . ?
C112 C111 H111 119.2 . . ?
C110 C111 H111 119.2 . . ?
C111 C112 C107 121.6(5) . . ?
C111 C112 H112 119.2 . . ?
C107 C112 H112 119.2 . . ?
C114 C113 C116 109.5(10) . . ?
C114 C113 C115 110.3(10) . . ?
C116 C113 C115 103.1(10) . . ?
C114 C113 C105 115.1(5) . . ?
C116 C113 C105 108.9(6) . . ?
C115 C113 C105 109.3(6) . . ?
C113 C114 H11A 109.5 . . ?
C113 C114 H11B 109.5 . . ?
H11A C114 H11B 109.5 . . ?
C113 C114 H11C 109.5 . . ?
H11A C114 H11C 109.5 . . ?
H11B C114 H11C 109.5 . . ?
C113 C115 H11D 109.5 . . ?
C113 C115 H11E 109.5 . . ?
H11D C115 H11E 109.5 . . ?
C113 C115 H11F 109.5 . . ?
H11D C115 H11F 109.5 . . ?
H11E C115 H11F 109.5 . . ?
C113 C116 H11G 109.5 . . ?
C113 C116 H11H 109.5 . . ?
H11G C116 H11H 109.5 . . ?
C113 C116 H11I 109.5 . . ?
H11G C116 H11I 109.5 . . ?
H11H C116 H11I 109.5 . . ?
C119 C117 C110 110.0(4) . . ?
C119 C117 C118 109.7(5) . . ?
C110 C117 C118 111.6(5) . . ?
C119 C117 C120 108.8(5) . . ?
C110 C117 C120 108.7(4) . . ?
C118 C117 C120 108.0(5) . . ?
C117 C118 H11J 109.5 . . ?
C117 C118 H11K 109.5 . . ?
H11J C118 H11K 109.5 . . ?
C117 C118 H11L 109.5 . . ?
H11J C118 H11L 109.5 . . ?
H11K C118 H11L 109.5 . . ?
C117 C119 H11M 109.5 . . ?
C117 C119 H11N 109.5 . . ?
H11M C119 H11N 109.5 . . ?
C117 C119 H11O 109.5 . . ?
H11M C119 H11O 109.5 . . ?
H11N C119 H11O 109.5 . . ?
C117 C120 H12A 109.5 . . ?
C117 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C117 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C126 C121 C122 119.7(4) . . ?
C126 C121 P2 117.2(3) . . ?
C122 C121 P2 123.1(3) . . ?
C123 C122 C121 116.7(4) . . ?
C123 C122 C127 117.6(4) . . ?
C121 C122 C127 125.6(4) . . ?
C124 C123 C122 122.2(5) . . ?
C124 C123 H123 118.9 . . ?
C122 C123 H123 118.9 . . ?
C125 C124 C123 121.6(5) . . ?
C125 C124 H124 119.2 . . ?
C123 C124 H124 119.2 . . ?
C124 C125 C126 116.8(5) . . ?
C124 C125 C133 123.9(5) . . ?
C126 C125 C133 119.3(4) . . ?
C125 C126 C121 122.9(4) . . ?
C125 C126 H126 118.5 . . ?
C121 C126 H126 118.5 . . ?
C128 C127 C132 117.7(5) . . ?
C128 C127 C122 119.9(5) . . ?
C132 C127 C122 122.2(4) . . ?
C127 C128 C129 120.7(5) . . ?
C127 C128 H128 119.6 . . ?
C129 C128 H128 119.6 . . ?
C130 C129 C128 122.2(5) . . ?
C130 C129 H129 118.9 . . ?
C128 C129 H129 118.9 . . ?
C131 C130 C129 117.0(5) . . ?
C131 C130 C137 121.6(6) . . ?
C129 C130 C137 121.4(6) . . ?
C130 C131 C132 121.5(5) . . ?
C130 C131 H131 119.2 . . ?
C132 C131 H131 119.2 . . ?
C127 C132 C131 120.8(5) . . ?
C127 C132 H132 119.6 . . ?
C131 C132 H132 119.6 . . ?
C136 C133 C134 108.4(5) . . ?
C136 C133 C135 110.3(6) . . ?
C134 C133 C135 108.4(5) . . ?
C136 C133 C125 108.9(5) . . ?
C134 C133 C125 111.4(5) . . ?
C135 C133 C125 109.5(5) . . ?
C133 C134 H13A 109.5 . . ?
C133 C134 H13B 109.5 . . ?
H13A C134 H13B 109.5 . . ?
C133 C134 H13C 109.5 . . ?
H13A C134 H13C 109.5 . . ?
H13B C134 H13C 109.5 . . ?
C133 C135 H13D 109.5 . . ?
C133 C135 H13E 109.5 . . ?
H13D C135 H13E 109.5 . . ?
C133 C135 H13F 109.5 . . ?
H13D C135 H13F 109.5 . . ?
H13E C135 H13F 109.5 . . ?
C133 C136 H13G 109.5 . . ?
C133 C136 H13H 109.5 . . ?
H13G C136 H13H 109.5 . . ?
C133 C136 H13I 109.5 . . ?
H13G C136 H13I 109.5 . . ?
H13H C136 H13I 109.5 . . ?
C140 C137 C139 118.9(12) . . ?
C140 C137 C138 102.3(12) . . ?
C139 C137 C138 99.5(12) . . ?
C140 C137 C130 111.0(8) . . ?
C139 C137 C130 113.8(7) . . ?
C138 C137 C130 109.6(9) . . ?
C137 C138 H13J 109.5 . . ?
C137 C138 H13K 109.5 . . ?
H13J C138 H13K 109.5 . . ?
C137 C138 H13L 109.5 . . ?
H13J C138 H13L 109.5 . . ?
H13K C138 H13L 109.5 . . ?
C137 C139 H13M 109.5 . . ?
C137 C139 H13N 109.5 . . ?
H13M C139 H13N 109.5 . . ?
C137 C139 H13O 109.5 . . ?
H13M C139 H13O 109.5 . . ?
H13N C139 H13O 109.5 . . ?
C137 C140 H14D 109.5 . . ?
C137 C140 H14E 109.5 . . ?
H14D C140 H14E 109.5 . . ?
C137 C140 H14F 109.5 . . ?
H14D C140 H14F 109.5 . . ?
H14E C140 H14F 109.5 . . ?
C146 C141 C142 120.5(4) . . ?
C146 C141 P2 119.2(3) . . ?
C142 C141 P2 120.3(3) . . ?
C143 C142 C141 116.9(4) . . ?
C143 C142 C147 119.2(4) . . ?
C141 C142 C147 123.9(4) . . ?
C144 C143 C142 122.4(5) . . ?
C144 C143 H143 118.8 . . ?
C142 C143 H143 118.8 . . ?
C143 C144 C145 121.1(5) . . ?
C143 C144 H144 119.5 . . ?
C145 C144 H144 119.5 . . ?
C144 C145 C146 116.9(5) . . ?
C144 C145 C153 120.9(5) . . ?
C146 C145 C153 122.2(5) . . ?
C141 C146 C145 122.1(4) . . ?
C141 C146 H146 119.0 . . ?
C145 C146 H146 119.0 . . ?
C152 C147 C148 117.5(4) . . ?
C152 C147 C142 122.0(4) . . ?
C148 C147 C142 120.0(5) . . ?
C149 C148 C147 121.0(5) . . ?
C149 C148 H148 119.5 . . ?
C147 C148 H148 119.5 . . ?
C148 C149 C150 121.2(5) . . ?
C148 C149 H149 119.4 . . ?
C150 C149 H149 119.4 . . ?
C151 C150 C149 117.6(5) . . ?
C151 C150 C157 122.4(5) . . ?
C149 C150 C157 120.0(4) . . ?
C150 C151 C152 121.1(5) . . ?
C150 C151 H151 119.4 . . ?
C152 C151 H151 119.4 . . ?
C151 C152 C147 121.5(5) . . ?
C151 C152 H152 119.2 . . ?
C147 C152 H152 119.2 . . ?
C145 C153 C154 112.2(4) . . ?
C145 C153 C155 109.4(5) . . ?
C154 C153 C155 109.5(6) . . ?
C145 C153 C156 108.6(5) . . ?
C154 C153 C156 107.0(6) . . ?
C155 C153 C156 110.1(5) . . ?
C153 C154 H15D 109.5 . . ?
C153 C154 H15E 109.5 . . ?
H15D C154 H15E 109.5 . . ?
C153 C154 H15F 109.5 . . ?
H15D C154 H15F 109.5 . . ?
H15E C154 H15F 109.5 . . ?
C153 C155 H15G 109.5 . . ?
C153 C155 H15H 109.5 . . ?
H15G C155 H15H 109.5 . . ?
C153 C155 H15I 109.5 . . ?
H15G C155 H15I 109.5 . . ?
H15H C155 H15I 109.5 . . ?
C153 C156 H15J 109.5 . . ?
C153 C156 H15K 109.5 . . ?
H15J C156 H15K 109.5 . . ?
C153 C156 H15L 109.5 . . ?
H15J C156 H15L 109.5 . . ?
H15K C156 H15L 109.5 . . ?
C159 C157 C160 108.2(5) . . ?
C159 C157 C158 109.0(5) . . ?
C160 C157 C158 108.9(6) . . ?
C159 C157 C150 112.7(5) . . ?
C160 C157 C150 109.4(5) . . ?
C158 C157 C150 108.6(5) . . ?
C157 C158 H15M 109.5 . . ?
C157 C158 H15N 109.5 . . ?
H15M C158 H15N 109.5 . . ?
C157 C158 H15O 109.5 . . ?
H15M C158 H15O 109.5 . . ?
H15N C158 H15O 109.5 . . ?
C157 C159 H15P 109.5 . . ?
C157 C159 H15Q 109.5 . . ?
H15P C159 H15Q 109.5 . . ?
C157 C159 H15R 109.5 . . ?
H15P C159 H15R 109.5 . . ?
H15Q C159 H15R 109.5 . . ?
C157 C160 H16D 109.5 . . ?
C157 C160 H16E 109.5 . . ?
H16D C160 H16E 109.5 . . ?
C157 C160 H16F 109.5 . . ?
H16D C160 H16F 109.5 . . ?
H16E C160 H16F 109.5 . . ?
C162 C161 Au2 76.2(6) . . ?
C162 C161 H16G 115.8 . . ?
Au2 C161 H16G 115.8 . . ?
C162 C161 H16H 115.8 . . ?
Au2 C161 H16H 115.8 . . ?
H16G C161 H16H 112.8 . . ?
C161 C162 Au2 74.5(6) . . ?
C161 C162 H16I 116.1 . . ?
Au2 C162 H16I 116.1 . . ?
C161 C162 H16J 116.1 . . ?
Au2 C162 H16J 116.1 . . ?
H16I C162 H16J 113.0 . . ?
C21 P1 C41 104.8(2) . . ?
C21 P1 C1 106.1(2) . . ?
C41 P1 C1 103.7(2) . . ?
C21 P1 Au1 114.89(14) . . ?
C41 P1 Au1 113.54(15) . . ?
C1 P1 Au1 112.89(15) . . ?
C101 P2 C121 106.2(2) . . ?
C101 P2 C141 103.1(2) . . ?
C121 P2 C141 106.6(2) . . ?
C101 P2 Au2 115.14(15) . . ?
C121 P2 Au2 113.02(14) . . ?
C141 P2 Au2 111.91(15) . . ?
F5 Sb1 F3 89.7(3) . . ?
F5 Sb1 F6 90.5(3) . . ?
F3 Sb1 F6 179.4(3) . . ?
F5 Sb1 F2 177.5(4) . . ?
F3 Sb1 F2 89.5(3) . . ?
F6 Sb1 F2 90.3(3) . . ?
F5 Sb1 F4 89.3(4) . . ?
F3 Sb1 F4 90.0(3) . . ?
F6 Sb1 F4 90.6(2) . . ?
F2 Sb1 F4 88.4(3) . . ?
F5 Sb1 F1 93.0(4) . . ?
F3 Sb1 F1 89.1(3) . . ?
F6 Sb1 F1 90.3(2) . . ?
F2 Sb1 F1 89.3(3) . . ?
F4 Sb1 F1 177.5(3) . . ?
F9 Sb2 F7 89.8(2) . . ?
F9 Sb2 F11 89.1(2) . . ?
F7 Sb2 F11 89.0(2) . . ?
F9 Sb2 F8 90.4(2) . . ?
F7 Sb2 F8 89.8(2) . . ?
F11 Sb2 F8 178.7(2) . . ?
F9 Sb2 F10 179.9(2) . . ?
F7 Sb2 F10 90.1(2) . . ?
F11 Sb2 F10 90.9(2) . . ?
F8 Sb2 F10 89.6(2) . . ?
F9 Sb2 F12 89.7(2) . . ?
F7 Sb2 F12 179.5(2) . . ?
F11 Sb2 F12 90.8(2) . . ?
F8 Sb2 F12 90.4(2) . . ?
F10 Sb2 F12 90.4(2) . . ?
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
Au1 C61 2.197(8) . ?
Au1 C62 2.218(8) . ?
Au1 P1 2.2811(11) . ?
Au2 C161 2.197(7) . ?
Au2 C162 2.214(8) . ?
Au2 P2 2.2830(11) . ?
C1 C2 1.394(7) . ?
C1 C6 1.401(7) . ?
C1 P1 1.831(5) . ?
C2 C3 1.412(7) . ?
C2 C7 1.483(7) . ?
C3 C4 1.374(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.387(7) . ?
C5 C13 1.540(8) . ?
C6 H6 0.9500 . ?
C7 C8 1.392(7) . ?
C7 C12 1.394(7) . ?
C8 C9 1.391(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.382(8) . ?
C9 H9 0.9500 . ?
C10 C11 1.398(8) . ?
C10 C17 1.535(8) . ?
C11 C12 1.382(8) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C16 1.510(10) . ?
C13 C14 1.519(9) . ?
C13 C15 1.541(10) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C20 1.526(9) . ?
C17 C18 1.530(9) . ?
C17 C19 1.530(11) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C26 1.395(6) . ?
C21 C22 1.405(6) . ?
C21 P1 1.820(4) . ?
C22 C23 1.393(6) . ?
C22 C27 1.495(6) . ?
C23 C24 1.383(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.390(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.384(6) . ?
C25 C33 1.545(6) . ?
C26 H26 0.9500 . ?
C27 C32 1.380(7) . ?
C27 C28 1.384(7) . ?
C28 C29 1.387(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.374(7) . ?
C30 C37 1.535(7) . ?
C31 C32 1.395(7) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C35 1.519(8) . ?
C33 C34 1.532(8) . ?
C33 C36 1.540(8) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.435(12) . ?
C37 C40 1.458(12) . ?
C37 C39 1.484(14) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.397(6) . ?
C41 C46 1.405(6) . ?
C41 P1 1.821(5) . ?
C42 C43 1.391(7) . ?
C42 C47 1.497(6) . ?
C43 C44 1.381(8) . ?
C43 H43 0.9500 . ?
C44 C45 1.386(7) . ?
C44 H44 0.9500 . ?
C45 C46 1.375(7) . ?
C45 C53 1.534(7) . ?
C46 H46 0.9500 . ?
C47 C52 1.391(7) . ?
C47 C48 1.393(7) . ?
C48 C49 1.396(7) . ?
C48 H48 0.9500 . ?
C49 C50 1.393(9) . ?
C49 H49 0.9500 . ?
C50 C51 1.370(8) . ?
C50 C57 1.537(8) . ?
C51 C52 1.408(7) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C55 1.407(13) . ?
C53 C56 1.452(11) . ?
C53 C54 1.604(15) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.452(14) . ?
C57 C60 1.461(12) . ?
C57 C59 1.547(15) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.082(14) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C101 C106 1.401(6) . ?
C101 C102 1.400(6) . ?
C101 P2 1.814(5) . ?
C102 C103 1.397(7) . ?
C102 C107 1.486(6) . ?
C103 C104 1.375(7) . ?
C103 H103 0.9500 . ?
C104 C105 1.389(7) . ?
C104 H104 0.9500 . ?
C105 C106 1.380(7) . ?
C105 C113 1.538(7) . ?
C106 H106 0.9500 . ?
C107 C108 1.393(7) . ?
C107 C112 1.396(7) . ?
C108 C109 1.394(7) . ?
C108 H108 0.9500 . ?
C109 C110 1.383(7) . ?
C109 H109 0.9500 . ?
C110 C111 1.394(7) . ?
C110 C117 1.535(7) . ?
C111 C112 1.373(7) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C114 1.423(10) . ?
C113 C116 1.496(13) . ?
C113 C115 1.497(13) . ?
C114 H11A 0.9800 . ?
C114 H11B 0.9800 . ?
C114 H11C 0.9800 . ?
C115 H11D 0.9800 . ?
C115 H11E 0.9800 . ?
C115 H11F 0.9800 . ?
C116 H11G 0.9800 . ?
C116 H11H 0.9800 . ?
C116 H11I 0.9800 . ?
C117 C119 1.524(8) . ?
C117 C118 1.536(9) . ?
C117 C120 1.540(8) . ?
C118 H11J 0.9800 . ?
C118 H11K 0.9800 . ?
C118 H11L 0.9800 . ?
C119 H11M 0.9800 . ?
C119 H11N 0.9800 . ?
C119 H11O 0.9800 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 C126 1.404(6) . ?
C121 C122 1.404(6) . ?
C121 P2 1.820(5) . ?
C122 C123 1.397(7) . ?
C122 C127 1.489(6) . ?
C123 C124 1.389(8) . ?
C123 H123 0.9500 . ?
C124 C125 1.374(7) . ?
C124 H124 0.9500 . ?
C125 C126 1.385(6) . ?
C125 C133 1.543(7) . ?
C126 H126 0.9500 . ?
C127 C128 1.386(7) . ?
C127 C132 1.384(7) . ?
C128 C129 1.391(8) . ?
C128 H128 0.9500 . ?
C129 C130 1.380(9) . ?
C129 H129 0.9500 . ?
C130 C131 1.378(8) . ?
C130 C137 1.542(8) . ?
C131 C132 1.404(7) . ?
C131 H131 0.9500 . ?
C132 H132 0.9500 . ?
C133 C136 1.518(9) . ?
C133 C134 1.522(8) . ?
C133 C135 1.522(9) . ?
C134 H13A 0.9800 . ?
C134 H13B 0.9800 . ?
C134 H13C 0.9800 . ?
C135 H13D 0.9800 . ?
C135 H13E 0.9800 . ?
C135 H13F 0.9800 . ?
C136 H13G 0.9800 . ?
C136 H13H 0.9800 . ?
C136 H13I 0.9800 . ?
C137 C140 1.417(16) . ?
C137 C139 1.437(15) . ?
C137 C138 1.493(18) . ?
C138 H13J 0.9800 . ?
C138 H13K 0.9800 . ?
C138 H13L 0.9800 . ?
C139 H13M 0.9800 . ?
C139 H13N 0.9800 . ?
C139 H13O 0.9800 . ?
C140 H14D 0.9800 . ?
C140 H14E 0.9800 . ?
C140 H14F 0.9800 . ?
C141 C146 1.391(6) . ?
C141 C142 1.396(6) . ?
C141 P2 1.822(4) . ?
C142 C143 1.388(7) . ?
C142 C147 1.497(7) . ?
C143 C144 1.379(8) . ?
C143 H143 0.9500 . ?
C144 C145 1.388(8) . ?
C144 H144 0.9500 . ?
C145 C146 1.391(6) . ?
C145 C153 1.527(7) . ?
C146 H146 0.9500 . ?
C147 C152 1.392(7) . ?
C147 C148 1.397(7) . ?
C148 C149 1.382(7) . ?
C148 H148 0.9500 . ?
C149 C150 1.406(7) . ?
C149 H149 0.9500 . ?
C150 C151 1.385(7) . ?
C150 C157 1.540(7) . ?
C151 C152 1.385(7) . ?
C151 H151 0.9500 . ?
C152 H152 0.9500 . ?
C153 C154 1.525(9) . ?
C153 C155 1.532(9) . ?
C153 C156 1.537(8) . ?
C154 H15D 0.9800 . ?
C154 H15E 0.9800 . ?
C154 H15F 0.9800 . ?
C155 H15G 0.9800 . ?
C155 H15H 0.9800 . ?
C155 H15I 0.9800 . ?
C156 H15J 0.9800 . ?
C156 H15K 0.9800 . ?
C156 H15L 0.9800 . ?
C157 C159 1.505(8) . ?
C157 C160 1.531(9) . ?
C157 C158 1.537(9) . ?
C158 H15M 0.9800 . ?
C158 H15N 0.9800 . ?
C158 H15O 0.9800 . ?
C159 H15P 0.9800 . ?
C159 H15Q 0.9800 . ?
C159 H15R 0.9800 . ?
C160 H16D 0.9800 . ?
C160 H16E 0.9800 . ?
C160 H16F 0.9800 . ?
C161 C162 1.119(13) . ?
C161 H16G 0.9900 . ?
C161 H16H 0.9900 . ?
C162 H16I 0.9900 . ?
C162 H16J 0.9900 . ?
F1 Sb1 1.868(5) . ?
F2 Sb1 1.866(6) . ?
F3 Sb1 1.852(5) . ?
F4 Sb1 1.866(6) . ?
F5 Sb1 1.648(10) . ?
F6 Sb1 1.854(5) . ?
F7 Sb2 1.863(4) . ?
F8 Sb2 1.865(4) . ?
F9 Sb2 1.856(4) . ?
F10 Sb2 1.867(4) . ?
F11 Sb2 1.865(4) . ?
F12 Sb2 1.868(4) . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 0.500 427 82 ' '
2 0.048 0.743 0.804 21 1 ' '
3 0.139 0.073 0.257 26 1 ' '
4 0.092 0.288 0.649 9 1 ' '
5 0.177 0.207 0.470 18 1 ' '
6 0.500 0.000 0.000 427 82 ' '
7 0.361 0.573 0.243 26 1 ' '
8 0.322 0.707 0.030 17 1 ' '
9 0.408 0.788 0.851 9 1 ' '
10 0.452 0.243 0.696 21 1 ' '
11 0.548 0.757 0.304 21 1 ' '
12 0.639 0.427 0.757 26 1 ' '
13 0.592 0.212 0.149 9 1 ' '
14 0.677 0.293 0.970 18 1 ' '
15 0.822 0.793 0.530 17 1 ' '
16 0.861 0.927 0.743 26 1 ' '
17 0.908 0.712 0.351 9 1 ' '
18 0.952 0.257 0.196 21 1 ' '
