#------------------------------------------------------------------------------
#$Date: 2020-11-29 04:21:00 +0200 (Sun, 29 Nov 2020) $
#$Revision: 259281 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/14/7241440.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_7241440
loop_
_publ_author_name
'Sava, Alexandru'
'Kegyes, Krisztina T.'
'Popuş, Bianca T.'
'Dan, Bernadette C.'
'Silvestru, Cristian'
'Raţ, Ciprian I.'
_publ_section_title
;
 Halogen bonding between entirely negative fluorine atoms? Evidence from
 the crystal packing of some gold(i) and gold(iii) complexes with
 extensively fluorinated m-terphenyl ligands and triphenylphosphane
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00671H
_journal_year                    2020
_chemical_formula_moiety         'C37 H20 Au Cl2 F10 P'
_chemical_formula_sum            'C37 H20 Au Cl2 F10 P'
_chemical_formula_weight         953.37
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-02-04 deposited with the CCDC.	2020-11-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   29.979(5)
_cell_length_b                   29.979(5)
_cell_length_c                   23.525(9)
_cell_measurement_reflns_used    1769
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      14.5
_cell_measurement_theta_min      2.25
_cell_volume                     18310(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Diamond (Brandenburg, 2009)'
_computing_publication_material
;
WinGX publication routines (Farrugia, 1999)
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1865
_diffrn_reflns_av_unetI/netI     0.1207
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            60731
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.146
_diffrn_reflns_theta_max         25.146
_diffrn_reflns_theta_min         1.168
_exptl_absorpt_coefficient_mu    3.855
_exptl_absorpt_correction_T_max  0.356
_exptl_absorpt_correction_T_min  0.280
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker, 2001.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_description       block
_exptl_crystal_F_000             8280
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.290
_refine_diff_density_max         2.137
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.905
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         7291
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.1290
_refine_ls_R_factor_gt           0.0595
_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)+(0.0490P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1254
_refine_ls_wR_factor_ref         0.1475
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3830
_reflns_number_total             7291
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce00671h2.cif
_cod_data_source_block           264ale_sq
_cod_original_cell_volume        18311(9)
_cod_database_code               7241440
_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   0.322
_shelx_estimated_absorpt_t_max   0.401
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 0.36213(2) 0.32125(2) 0.54552(2) 0.06613(18) Uani 1 1 d . . . . .
Cl1 Cl 0.39600(11) 0.40032(9) 0.59472(10) 0.0855(8) Uani 1 1 d . . . . .
Cl2 Cl 0.28181(10) 0.31459(10) 0.54431(11) 0.0884(8) Uani 1 1 d . . . . .
P1 P 0.44239(10) 0.32826(10) 0.55580(10) 0.0748(8) Uani 1 1 d . . . . .
F1 F 0.4291(2) 0.2674(3) 0.3804(2) 0.1023(19) Uani 1 1 d . . . . .
F2 F 0.4936(3) 0.3502(3) 0.3214(3) 0.143(3) Uani 1 1 d . . . . .
F3 F 0.4758(2) 0.4301(3) 0.3110(3) 0.132(2) Uani 1 1 d . . . . .
F4 F 0.3919(2) 0.4250(2) 0.3622(2) 0.1078(19) Uani 1 1 d . . . . .
F5 F 0.3281(2) 0.3429(2) 0.4219(2) 0.0842(15) Uani 1 1 d . . . . .
F6 F 0.3541(3) 0.2200(2) 0.6235(2) 0.0935(17) Uani 1 1 d . . . . .
F7 F 0.3176(3) 0.2114(2) 0.7299(2) 0.111(2) Uani 1 1 d . . . . .
F8 F 0.2167(3) 0.1849(3) 0.7464(3) 0.151(3) Uani 1 1 d . . . . .
F9 F 0.1553(3) 0.1665(3) 0.6557(3) 0.142(3) Uani 1 1 d . . . . .
F10 F 0.1926(2) 0.1801(2) 0.5506(3) 0.107(2) Uani 1 1 d . . . . .
C1 C 0.4585(5) 0.2866(5) 0.5133(4) 0.084(3) Uani 1 1 d . . . . .
C2 C 0.4249(5) 0.2338(5) 0.5127(4) 0.088(3) Uani 1 1 d . . . . .
H2 H 0.393080 0.219076 0.530718 0.105 Uiso 1 1 calc R U . . .
C3 C 0.4412(6) 0.2035(5) 0.4835(5) 0.109(4) Uani 1 1 d . . . . .
H3 H 0.420183 0.167887 0.482136 0.130 Uiso 1 1 calc R U . . .
C4 C 0.4877(7) 0.2265(9) 0.4573(6) 0.144(7) Uani 1 1 d . . . . .
H4 H 0.497448 0.205878 0.437462 0.172 Uiso 1 1 calc R U . . .
C5 C 0.5200(7) 0.2766(8) 0.4586(7) 0.157(8) Uani 1 1 d . . . . .
H5 H 0.552170 0.290431 0.441556 0.189 Uiso 1 1 calc R U . . .
C6 C 0.5056(5) 0.3083(5) 0.4855(5) 0.110(4) Uani 1 1 d . . . . .
H6 H 0.527228 0.343829 0.484972 0.132 Uiso 1 1 calc R U . . .
C7 C 0.4520(4) 0.3148(4) 0.6285(4) 0.080(3) Uani 1 1 d . . . . .
C8 C 0.4303(4) 0.3255(4) 0.6735(4) 0.083(3) Uani 1 1 d . . . . .
H8 H 0.408388 0.338549 0.667024 0.100 Uiso 1 1 calc R U . . .
C9 C 0.4404(5) 0.3170(4) 0.7301(4) 0.098(4) Uani 1 1 d . . . . .
H9 H 0.424901 0.324147 0.760320 0.118 Uiso 1 1 calc R U . . .
C10 C 0.4722(5) 0.2988(4) 0.7402(5) 0.104(4) Uani 1 1 d . . . . .
H10 H 0.478962 0.293197 0.777237 0.125 Uiso 1 1 calc R U . . .
C11 C 0.4955(5) 0.2882(4) 0.6939(5) 0.108(4) Uani 1 1 d . . . . .
H11 H 0.517690 0.275608 0.700674 0.130 Uiso 1 1 calc R U . . .
C12 C 0.4853(4) 0.2966(4) 0.6378(5) 0.100(3) Uani 1 1 d . . . . .
H12 H 0.500874 0.289863 0.607449 0.120 Uiso 1 1 calc R U . . .
C13 C 0.4919(4) 0.3920(4) 0.5377(4) 0.081(3) Uani 1 1 d . . . . .
C14 C 0.4886(4) 0.4158(5) 0.4890(5) 0.107(4) Uani 1 1 d . . . . .
H14 H 0.458807 0.399279 0.467029 0.129 Uiso 1 1 calc R U . . .
C15 C 0.5274(6) 0.4626(6) 0.4720(6) 0.130(5) Uani 1 1 d . . . . .
H15 H 0.524511 0.476721 0.438028 0.156 Uiso 1 1 calc R U . . .
C16 C 0.5711(6) 0.4892(5) 0.5047(6) 0.129(5) Uani 1 1 d . . . . .
H16 H 0.597465 0.521404 0.493496 0.155 Uiso 1 1 calc R U . . .
C17 C 0.5747(5) 0.4670(5) 0.5543(7) 0.138(5) Uani 1 1 d . . . . .
H17 H 0.604066 0.484390 0.576628 0.166 Uiso 1 1 calc R U . . .
C18 C 0.5355(5) 0.4191(5) 0.5716(5) 0.111(4) Uani 1 1 d . . . . .
H18 H 0.538281 0.405151 0.605851 0.133 Uiso 1 1 calc R U . . .
C19 C 0.3295(3) 0.2549(3) 0.4995(3) 0.061(2) Uani 1 1 d . . . . .
C20 C 0.3415(4) 0.2555(3) 0.4408(3) 0.062(2) Uani 1 1 d . . . . .
C21 C 0.3181(4) 0.2094(4) 0.4093(4) 0.068(3) Uani 1 1 d . . . . .
H21 H 0.326928 0.210113 0.371229 0.081 Uiso 1 1 calc R U . . .
C22 C 0.2831(4) 0.1638(4) 0.4330(4) 0.079(3) Uani 1 1 d . . . . .
C23 C 0.2726(4) 0.1624(4) 0.4898(4) 0.077(3) Uani 1 1 d . . . . .
H23 H 0.250920 0.130822 0.506891 0.093 Uiso 1 1 calc R U . . .
C24 C 0.2938(4) 0.2075(4) 0.5231(3) 0.063(2) Uani 1 1 d . . . . .
C25 C 0.3784(4) 0.3039(4) 0.4080(4) 0.066(2) Uani 1 1 d . . . . .
C26 C 0.4197(4) 0.3058(5) 0.3785(4) 0.082(3) Uani 1 1 d . . . . .
C27 C 0.4535(5) 0.3485(5) 0.3475(5) 0.097(4) Uani 1 1 d . . . . .
C28 C 0.4449(5) 0.3886(5) 0.3413(4) 0.099(4) Uani 1 1 d . . . . .
C29 C 0.4026(5) 0.3863(4) 0.3680(4) 0.084(3) Uani 1 1 d . . . . .
C30 C 0.3707(4) 0.3450(5) 0.3990(4) 0.074(3) Uani 1 1 d . . . . .
C31 C 0.2758(4) 0.2031(3) 0.5833(4) 0.070(3) Uani 1 1 d . . . . .
C32 C 0.3046(5) 0.2093(4) 0.6299(4) 0.079(3) Uani 1 1 d . . . . .
C33 C 0.2861(6) 0.2039(4) 0.6853(4) 0.087(3) Uani 1 1 d . . . . .
C34 C 0.2368(7) 0.1912(5) 0.6938(5) 0.106(4) Uani 1 1 d . . . . .
C35 C 0.2049(5) 0.1820(4) 0.6481(5) 0.095(4) Uani 1 1 d . . . . .
C36 C 0.2258(5) 0.1885(4) 0.5943(4) 0.082(3) Uani 1 1 d . . . . .
C37 C 0.2578(4) 0.1150(4) 0.3982(4) 0.098(3) Uani 1 1 d . . . . .
H37A H 0.222687 0.105439 0.390697 0.148 Uiso 1 1 calc R U . . .
H37B H 0.258718 0.087842 0.418975 0.148 Uiso 1 1 calc R U . . .
H37C H 0.275951 0.120538 0.362964 0.148 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 0.0033 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'
Cl Cl 0.1484 0.1585 '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
C19 Au1 Cl2 86.4(3) . . ?
C19 Au1 P1 96.6(2) . . ?
Cl2 Au1 P1 174.72(9) . . ?
C19 Au1 Cl1 175.4(2) . . ?
Cl2 Au1 Cl1 89.96(9) . . ?
P1 Au1 Cl1 87.25(10) . . ?
C13 P1 C7 108.8(5) . . ?
C13 P1 C1 103.6(5) . . ?
C7 P1 C1 103.7(5) . . ?
C13 P1 Au1 110.0(4) . . ?
C7 P1 Au1 110.5(4) . . ?
C1 P1 Au1 119.6(4) . . ?
C6 C1 C2 121.1(11) . . ?
C6 C1 P1 119.3(10) . . ?
C2 C1 P1 119.5(9) . . ?
C1 C2 C3 117.0(12) . . ?
C1 C2 H2 121.5 . . ?
C3 C2 H2 121.5 . . ?
C4 C3 C2 119.6(14) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C5 C4 C3 123.4(17) . . ?
C5 C4 H4 118.3 . . ?
C3 C4 H4 118.3 . . ?
C4 C5 C6 119.5(18) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C5 C6 C1 119.3(14) . . ?
C5 C6 H6 120.3 . . ?
C1 C6 H6 120.3 . . ?
C8 C7 C12 119.6(10) . . ?
C8 C7 P1 122.3(8) . . ?
C12 C7 P1 117.9(8) . . ?
C7 C8 C9 121.3(10) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C10 C9 C8 120.0(11) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 119.4(11) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C12 C11 C10 120.5(12) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C7 C12 C11 119.2(11) . . ?
C7 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C14 C13 C18 117.6(10) . . ?
C14 C13 P1 120.9(9) . . ?
C18 C13 P1 121.5(9) . . ?
C15 C14 C13 122.0(11) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C14 C15 C16 120.7(13) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C17 C16 C15 118.4(13) . . ?
C17 C16 H16 120.8 . . ?
C15 C16 H16 120.8 . . ?
C16 C17 C18 121.4(13) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C13 119.8(11) . . ?
C17 C18 H18 120.1 . . ?
C13 C18 H18 120.1 . . ?
C24 C19 C20 117.2(8) . . ?
C24 C19 Au1 122.2(6) . . ?
C20 C19 Au1 120.6(6) . . ?
C21 C20 C19 119.9(8) . . ?
C21 C20 C25 115.9(7) . . ?
C19 C20 C25 124.1(8) . . ?
C22 C21 C20 121.8(8) . . ?
C22 C21 H21 119.1 . . ?
C20 C21 H21 119.1 . . ?
C21 C22 C23 118.7(9) . . ?
C21 C22 C37 121.0(9) . . ?
C23 C22 C37 120.2(10) . . ?
C22 C23 C24 121.8(9) . . ?
C22 C23 H23 119.1 . . ?
C24 C23 H23 119.1 . . ?
C19 C24 C23 120.3(8) . . ?
C19 C24 C31 121.5(8) . . ?
C23 C24 C31 118.2(8) . . ?
C30 C25 C26 115.4(9) . . ?
C30 C25 C20 124.2(9) . . ?
C26 C25 C20 119.9(9) . . ?
F1 C26 C27 116.8(11) . . ?
F1 C26 C25 121.4(10) . . ?
C27 C26 C25 121.8(11) . . ?
F2 C27 C28 119.0(12) . . ?
F2 C27 C26 120.7(12) . . ?
C28 C27 C26 120.2(12) . . ?
F3 C28 C27 122.5(13) . . ?
F3 C28 C29 118.7(13) . . ?
C27 C28 C29 118.7(11) . . ?
C30 C29 F4 118.6(11) . . ?
C30 C29 C28 120.4(11) . . ?
F4 C29 C28 120.9(11) . . ?
C29 C30 F5 118.7(11) . . ?
C29 C30 C25 123.2(10) . . ?
F5 C30 C25 118.1(10) . . ?
C32 C31 C36 114.6(10) . . ?
C32 C31 C24 125.4(10) . . ?
C36 C31 C24 119.9(10) . . ?
C31 C32 F6 119.3(9) . . ?
C31 C32 C33 123.5(12) . . ?
F6 C32 C33 117.1(11) . . ?
C34 C33 F7 120.7(11) . . ?
C34 C33 C32 119.4(12) . . ?
F7 C33 C32 119.9(12) . . ?
C33 C34 F8 121.8(13) . . ?
C33 C34 C35 119.8(12) . . ?
F8 C34 C35 118.3(13) . . ?
F9 C35 C34 120.6(11) . . ?
F9 C35 C36 121.5(13) . . ?
C34 C35 C36 117.9(12) . . ?
C31 C36 F10 120.1(10) . . ?
C31 C36 C35 124.7(11) . . ?
F10 C36 C35 115.2(11) . . ?
C22 C37 H37A 109.5 . . ?
C22 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C22 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
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 C19 2.034(8) . ?
Au1 Cl2 2.315(3) . ?
Au1 P1 2.321(3) . ?
Au1 Cl1 2.363(2) . ?
P1 C13 1.788(10) . ?
P1 C7 1.812(10) . ?
P1 C1 1.843(11) . ?
F1 C26 1.316(11) . ?
F2 C27 1.329(12) . ?
F3 C28 1.328(11) . ?
F4 C29 1.359(11) . ?
F5 C30 1.360(10) . ?
F6 C32 1.359(11) . ?
F7 C33 1.355(12) . ?
F8 C34 1.346(12) . ?
F9 C35 1.328(12) . ?
F10 C36 1.365(11) . ?
C1 C6 1.387(14) . ?
C1 C2 1.390(14) . ?
C2 C3 1.406(14) . ?
C2 H2 0.9300 . ?
C3 C4 1.356(18) . ?
C3 H3 0.9300 . ?
C4 C5 1.32(2) . ?
C4 H4 0.9300 . ?
C5 C6 1.377(17) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.363(12) . ?
C7 C12 1.375(13) . ?
C8 C9 1.416(13) . ?
C8 H8 0.9300 . ?
C9 C10 1.335(14) . ?
C9 H9 0.9300 . ?
C10 C11 1.411(15) . ?
C10 H10 0.9300 . ?
C11 C12 1.405(13) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.380(13) . ?
C13 C18 1.395(14) . ?
C14 C15 1.360(15) . ?
C14 H14 0.9300 . ?
C15 C16 1.377(16) . ?
C15 H15 0.9300 . ?
C16 C17 1.374(16) . ?
C16 H16 0.9300 . ?
C17 C18 1.385(15) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.398(11) . ?
C19 C20 1.426(11) . ?
C20 C21 1.409(11) . ?
C20 C25 1.521(12) . ?
C21 C22 1.359(12) . ?
C21 H21 0.9300 . ?
C22 C23 1.369(12) . ?
C22 C37 1.507(12) . ?
C23 C24 1.409(11) . ?
C23 H23 0.9300 . ?
C24 C31 1.499(12) . ?
C25 C30 1.381(13) . ?
C25 C26 1.395(13) . ?
C26 C27 1.378(15) . ?
C27 C28 1.356(15) . ?
C28 C29 1.386(15) . ?
C29 C30 1.338(13) . ?
C31 C32 1.350(13) . ?
C31 C36 1.360(13) . ?
C32 C33 1.394(13) . ?
C33 C34 1.344(15) . ?
C34 C35 1.373(16) . ?
C35 C36 1.381(14) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
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
C13 P1 C1 C6 10.3(9) . . . . ?
C7 P1 C1 C6 -103.3(9) . . . . ?
Au1 P1 C1 C6 133.1(8) . . . . ?
C13 P1 C1 C2 -173.9(8) . . . . ?
C7 P1 C1 C2 72.5(9) . . . . ?
Au1 P1 C1 C2 -51.2(8) . . . . ?
C6 C1 C2 C3 1.0(14) . . . . ?
P1 C1 C2 C3 -174.7(7) . . . . ?
C1 C2 C3 C4 -0.5(16) . . . . ?
C2 C3 C4 C5 2(2) . . . . ?
C3 C4 C5 C6 -3(3) . . . . ?
C4 C5 C6 C1 3(2) . . . . ?
C2 C1 C6 C5 -2.4(17) . . . . ?
P1 C1 C6 C5 173.3(10) . . . . ?
C13 P1 C7 C8 90.1(10) . . . . ?
C1 P1 C7 C8 -160.1(9) . . . . ?
Au1 P1 C7 C8 -30.8(10) . . . . ?
C13 P1 C7 C12 -85.3(10) . . . . ?
C1 P1 C7 C12 24.4(10) . . . . ?
Au1 P1 C7 C12 153.8(8) . . . . ?
C12 C7 C8 C9 -1.4(17) . . . . ?
P1 C7 C8 C9 -176.8(8) . . . . ?
C7 C8 C9 C10 0.8(17) . . . . ?
C8 C9 C10 C11 0.0(18) . . . . ?
C9 C10 C11 C12 -0.1(19) . . . . ?
C8 C7 C12 C11 1.3(17) . . . . ?
P1 C7 C12 C11 176.9(8) . . . . ?
C10 C11 C12 C7 -0.6(18) . . . . ?
C7 P1 C13 C14 -167.7(9) . . . . ?
C1 P1 C13 C14 82.4(10) . . . . ?
Au1 P1 C13 C14 -46.5(10) . . . . ?
C7 P1 C13 C18 13.2(11) . . . . ?
C1 P1 C13 C18 -96.7(10) . . . . ?
Au1 P1 C13 C18 134.4(9) . . . . ?
C18 C13 C14 C15 4.2(19) . . . . ?
P1 C13 C14 C15 -175.0(11) . . . . ?
C13 C14 C15 C16 -3(2) . . . . ?
C14 C15 C16 C17 1(2) . . . . ?
C15 C16 C17 C18 0(2) . . . . ?
C16 C17 C18 C13 2(2) . . . . ?
C14 C13 C18 C17 -3.5(18) . . . . ?
P1 C13 C18 C17 175.6(10) . . . . ?
C24 C19 C20 C21 -0.7(13) . . . . ?
Au1 C19 C20 C21 -179.3(6) . . . . ?
C24 C19 C20 C25 178.4(8) . . . . ?
Au1 C19 C20 C25 -0.1(12) . . . . ?
C19 C20 C21 C22 1.5(14) . . . . ?
C25 C20 C21 C22 -177.7(9) . . . . ?
C20 C21 C22 C23 -3.8(15) . . . . ?
C20 C21 C22 C37 178.9(9) . . . . ?
C21 C22 C23 C24 5.4(15) . . . . ?
C37 C22 C23 C24 -177.2(9) . . . . ?
C20 C19 C24 C23 2.3(13) . . . . ?
Au1 C19 C24 C23 -179.2(6) . . . . ?
C20 C19 C24 C31 -176.0(8) . . . . ?
Au1 C19 C24 C31 2.5(12) . . . . ?
C22 C23 C24 C19 -4.8(14) . . . . ?
C22 C23 C24 C31 173.5(9) . . . . ?
C21 C20 C25 C30 116.1(10) . . . . ?
C19 C20 C25 C30 -63.0(12) . . . . ?
C21 C20 C25 C26 -55.2(11) . . . . ?
C19 C20 C25 C26 125.6(10) . . . . ?
C30 C25 C26 F1 -175.5(8) . . . . ?
C20 C25 C26 F1 -3.4(13) . . . . ?
C30 C25 C26 C27 6.8(14) . . . . ?
C20 C25 C26 C27 178.9(9) . . . . ?
F1 C26 C27 F2 -0.4(15) . . . . ?
C25 C26 C27 F2 177.4(9) . . . . ?
F1 C26 C27 C28 176.9(10) . . . . ?
C25 C26 C27 C28 -5.2(17) . . . . ?
F2 C27 C28 F3 -1.3(18) . . . . ?
C26 C27 C28 F3 -178.7(10) . . . . ?
F2 C27 C28 C29 179.2(10) . . . . ?
C26 C27 C28 C29 1.8(17) . . . . ?
F3 C28 C29 C30 -179.9(9) . . . . ?
C27 C28 C29 C30 -0.4(17) . . . . ?
F3 C28 C29 F4 1.8(16) . . . . ?
C27 C28 C29 F4 -178.7(10) . . . . ?
F4 C29 C30 F5 2.0(14) . . . . ?
C28 C29 C30 F5 -176.4(9) . . . . ?
F4 C29 C30 C25 -179.3(8) . . . . ?
C28 C29 C30 C25 2.3(16) . . . . ?
C26 C25 C30 C29 -5.4(14) . . . . ?
C20 C25 C30 C29 -177.1(9) . . . . ?
C26 C25 C30 F5 173.4(8) . . . . ?
C20 C25 C30 F5 1.6(13) . . . . ?
C19 C24 C31 C32 -70.5(13) . . . . ?
C23 C24 C31 C32 111.2(11) . . . . ?
C19 C24 C31 C36 114.2(11) . . . . ?
C23 C24 C31 C36 -64.1(12) . . . . ?
C36 C31 C32 F6 175.0(8) . . . . ?
C24 C31 C32 F6 -0.6(15) . . . . ?
C36 C31 C32 C33 -3.1(15) . . . . ?
C24 C31 C32 C33 -178.6(9) . . . . ?
C31 C32 C33 C34 0.9(16) . . . . ?
F6 C32 C33 C34 -177.2(10) . . . . ?
C31 C32 C33 F7 -179.2(9) . . . . ?
F6 C32 C33 F7 2.7(14) . . . . ?
F7 C33 C34 F8 -0.7(18) . . . . ?
C32 C33 C34 F8 179.2(10) . . . . ?
F7 C33 C34 C35 -177.6(10) . . . . ?
C32 C33 C34 C35 2.3(18) . . . . ?
C33 C34 C35 F9 176.1(10) . . . . ?
F8 C34 C35 F9 -0.9(18) . . . . ?
C33 C34 C35 C36 -2.9(18) . . . . ?
F8 C34 C35 C36 -180.0(10) . . . . ?
C32 C31 C36 F10 -178.8(8) . . . . ?
C24 C31 C36 F10 -3.0(14) . . . . ?
C32 C31 C36 C35 2.4(15) . . . . ?
C24 C31 C36 C35 178.2(9) . . . . ?
F9 C35 C36 C31 -178.5(10) . . . . ?
C34 C35 C36 C31 0.5(17) . . . . ?
F9 C35 C36 F10 2.7(15) . . . . ?
C34 C35 C36 F10 -178.3(10) . . . . ?
