#------------------------------------------------------------------------------
#$Date: 2020-11-29 04:21:00 +0200 (Sun, 29 Nov 2020) $
#$Revision: 259281 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/14/7241439.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_7241439
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_sum            'C37 H16 Au Cl5 F13 P'
_chemical_formula_weight         1112.68
_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-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                 96.950(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3840(4)
_cell_length_b                   15.1675(6)
_cell_length_c                   24.3914(10)
_cell_measurement_reflns_used    6496
_cell_measurement_temperature    200.1(3)
_cell_measurement_theta_max      30.6920
_cell_measurement_theta_min      2.0790
_cell_volume                     3813.4(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_av_unetI/netI     0.0536
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            16225
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.150
_diffrn_reflns_theta_max         25.150
_diffrn_reflns_theta_min         1.682
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    4.343
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.21709
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark colourless'
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_description       plate
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.971
_refine_diff_density_min         -1.335
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         6834
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0355
_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)+(0.0223P)²+5.6076P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0733
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5806
_reflns_number_total             6834
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce00671h2.cif
_cod_data_source_block           shI_3642_CrSi
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7241439
_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   0.356
_shelx_estimated_absorpt_t_max   0.845
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 0.53724(2) 0.33942(2) 0.24621(2) 0.01998(7) Uani 1 1 d . . . . .
Cl1 Cl 0.37553(13) 0.23997(8) 0.21205(6) 0.0338(3) Uani 1 1 d . . . . .
Cl2 Cl 0.69126(13) 0.24666(8) 0.21492(6) 0.0367(3) Uani 1 1 d . . . . .
Cl3 Cl 0.1805(3) 0.29491(19) 0.55803(12) 0.1098(9) Uani 1 1 d . . . . .
Cl4 Cl -0.0485(3) 0.18798(14) 0.54818(12) 0.1087(10) Uani 1 1 d . . . . .
Cl5 Cl -0.0666(2) 0.37059(14) 0.52019(10) 0.0814(7) Uani 1 1 d . . . . .
P1 P 0.37043(13) 0.43046(8) 0.26775(5) 0.0212(3) Uani 1 1 d . . . . .
F1 F 0.5509(3) 0.5655(2) 0.18207(13) 0.0411(8) Uani 1 1 d . . . . .
F2 F 0.5136(4) 0.5770(3) 0.07270(16) 0.0670(12) Uani 1 1 d . . . . .
F3 F 0.6730(5) 0.4883(3) 0.01085(15) 0.0750(13) Uani 1 1 d . . . . .
F4 F 0.8706(4) 0.3897(3) 0.06057(16) 0.0641(11) Uani 1 1 d . . . . .
F5 F 0.9088(3) 0.3786(2) 0.17064(14) 0.0422(8) Uani 1 1 d . . . . .
F6 F 0.6076(3) 0.49578(18) 0.41958(13) 0.0381(8) Uani 1 1 d . . . . .
F7 F 0.4988(4) 0.4030(2) 0.49563(14) 0.0568(10) Uani 1 1 d . . . . .
F8 F 0.5139(4) 0.2246(2) 0.49703(15) 0.0586(11) Uani 1 1 d . . . . .
F9 F 0.6375(4) 0.13951(19) 0.42095(16) 0.0523(10) Uani 1 1 d . . . . .
F10 F 0.7409(3) 0.23075(19) 0.34344(14) 0.0421(9) Uani 1 1 d . . . . .
F11 F 0.9314(3) 0.56122(19) 0.22984(13) 0.0356(8) Uani 1 1 d . . . . .
F12 F 1.0113(3) 0.5622(2) 0.33898(14) 0.0406(8) Uani 1 1 d . . . . .
F13 F 0.8814(3) 0.4686(2) 0.40767(13) 0.0403(8) Uani 1 1 d . . . . .
C1 C 0.4057(5) 0.5240(3) 0.3135(2) 0.0220(11) Uani 1 1 d . . . . .
C2 C 0.5040(5) 0.5835(3) 0.3038(2) 0.0268(12) Uani 1 1 d . . . . .
H2 H 0.559737 0.571013 0.276608 0.032 Uiso 1 1 calc R U . . .
C3 C 0.5187(6) 0.6610(3) 0.3345(2) 0.0346(13) Uani 1 1 d . . . . .
H3 H 0.585443 0.701425 0.328465 0.042 Uiso 1 1 calc R U . . .
C4 C 0.4381(6) 0.6794(3) 0.3733(2) 0.0355(14) Uani 1 1 d . . . . .
H4 H 0.448402 0.732931 0.393631 0.043 Uiso 1 1 calc R U . . .
C5 C 0.3424(6) 0.6214(4) 0.3831(2) 0.0358(14) Uani 1 1 d . . . . .
H5 H 0.287611 0.634553 0.410533 0.043 Uiso 1 1 calc R U . . .
C6 C 0.3250(5) 0.5435(3) 0.3533(2) 0.0276(12) Uani 1 1 d . . . . .
H6 H 0.258083 0.503705 0.360011 0.033 Uiso 1 1 calc R U . . .
C7 C 0.2536(5) 0.3657(3) 0.3000(2) 0.0272(12) Uani 1 1 d . . . . .
C8 C 0.2880(6) 0.3299(4) 0.3511(3) 0.0446(16) Uani 1 1 d . . . . .
H8 H 0.374150 0.336696 0.368653 0.053 Uiso 1 1 calc R U . . .
C9 C 0.1984(7) 0.2838(4) 0.3773(3) 0.0546(19) Uani 1 1 d . . . . .
H9 H 0.222192 0.260906 0.413307 0.065 Uiso 1 1 calc R U . . .
C10 C 0.0747(6) 0.2710(4) 0.3513(3) 0.0433(16) Uani 1 1 d . . . . .
H10 H 0.013051 0.239325 0.369353 0.052 Uiso 1 1 calc R U . . .
C11 C 0.0403(6) 0.3041(4) 0.2989(3) 0.0424(16) Uani 1 1 d . . . . .
H11 H -0.044462 0.294053 0.280595 0.051 Uiso 1 1 calc R U . . .
C12 C 0.1288(5) 0.3519(3) 0.2730(2) 0.0336(13) Uani 1 1 d . . . . .
H12 H 0.104842 0.375315 0.237064 0.040 Uiso 1 1 calc R U . . .
C13 C 0.2892(5) 0.4766(3) 0.2042(2) 0.0252(12) Uani 1 1 d . . . . .
C14 C 0.2899(6) 0.4349(4) 0.1538(2) 0.0403(15) Uani 1 1 d . . . . .
H14 H 0.337313 0.381715 0.151584 0.048 Uiso 1 1 calc R U . . .
C15 C 0.2225(7) 0.4700(4) 0.1070(3) 0.0545(19) Uani 1 1 d . . . . .
H15 H 0.222882 0.440868 0.072512 0.065 Uiso 1 1 calc R U . . .
C16 C 0.1547(6) 0.5470(4) 0.1100(3) 0.0522(18) Uani 1 1 d . . . . .
H16 H 0.108282 0.571234 0.077556 0.063 Uiso 1 1 calc R U . . .
C17 C 0.1535(6) 0.5892(4) 0.1594(3) 0.0461(17) Uani 1 1 d . . . . .
H17 H 0.105920 0.642400 0.161365 0.055 Uiso 1 1 calc R U . . .
C18 C 0.2212(5) 0.5545(3) 0.2063(2) 0.0353(14) Uani 1 1 d . . . . .
H18 H 0.221260 0.584353 0.240525 0.042 Uiso 1 1 calc R U . . .
C19 C 0.6878(5) 0.4182(3) 0.2774(2) 0.0197(11) Uani 1 1 d . . . . .
C20 C 0.7570(5) 0.4663(3) 0.2417(2) 0.0201(11) Uani 1 1 d . . . . .
C21 C 0.8640(5) 0.5155(3) 0.2638(2) 0.0273(12) Uani 1 1 d . . . . .
C22 C 0.9052(5) 0.5173(3) 0.3194(2) 0.0286(12) Uani 1 1 d . . . . .
C23 C 0.8381(5) 0.4685(3) 0.3535(2) 0.0279(12) Uani 1 1 d . . . . .
C24 C 0.7297(5) 0.4183(3) 0.3345(2) 0.0221(11) Uani 1 1 d . . . . .
C25 C 0.7265(5) 0.4673(3) 0.1802(2) 0.0235(11) Uani 1 1 d . . . . .
C26 C 0.6278(5) 0.5185(3) 0.1530(2) 0.0297(13) Uani 1 1 d . . . . .
C27 C 0.6082(6) 0.5252(4) 0.0968(2) 0.0402(15) Uani 1 1 d . . . . .
C28 C 0.6901(7) 0.4809(4) 0.0661(2) 0.0460(17) Uani 1 1 d . . . . .
C29 C 0.7902(6) 0.4306(4) 0.0912(3) 0.0434(16) Uani 1 1 d . . . . .
C30 C 0.8082(5) 0.4254(3) 0.1477(2) 0.0312(13) Uani 1 1 d . . . . .
C31 C 0.6686(5) 0.3669(3) 0.3762(2) 0.0229(11) Uani 1 1 d . . . . .
C32 C 0.6113(5) 0.4073(3) 0.4177(2) 0.0270(12) Uani 1 1 d . . . . .
C33 C 0.5587(6) 0.3613(4) 0.4578(2) 0.0341(13) Uani 1 1 d . . . . .
C34 C 0.5649(6) 0.2707(4) 0.4585(2) 0.0379(14) Uani 1 1 d . . . . .
C35 C 0.6259(6) 0.2283(3) 0.4192(2) 0.0327(13) Uani 1 1 d . . . . .
C36 C 0.6766(5) 0.2750(3) 0.3791(2) 0.0262(12) Uani 1 1 d . . . . .
C37 C 0.0149(8) 0.2925(4) 0.5631(3) 0.059(2) Uani 1 1 d . . . . .
H37 H 0.001980 0.307176 0.602020 0.070 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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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 P1 97.23(13) . . ?
C19 Au1 Cl2 87.17(13) . . ?
P1 Au1 Cl2 173.61(5) . . ?
C19 Au1 Cl1 175.60(13) . . ?
P1 Au1 Cl1 86.62(5) . . ?
Cl2 Au1 Cl1 89.17(5) . . ?
C7 P1 C13 108.2(2) . . ?
C7 P1 C1 104.7(2) . . ?
C13 P1 C1 105.2(2) . . ?
C7 P1 Au1 109.40(17) . . ?
C13 P1 Au1 108.56(17) . . ?
C1 P1 Au1 120.20(17) . . ?
C6 C1 C2 119.6(4) . . ?
C6 C1 P1 120.1(4) . . ?
C2 C1 P1 119.7(4) . . ?
C3 C2 C1 119.1(5) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C4 C3 C2 120.6(5) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 120.5(5) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 120.4(5) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 119.8(5) . . ?
C1 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C8 C7 C12 119.7(5) . . ?
C8 C7 P1 119.7(4) . . ?
C12 C7 P1 120.6(4) . . ?
C7 C8 C9 120.4(6) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C10 C9 C8 120.2(6) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 119.8(6) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 120.2(6) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 119.5(6) . . ?
C11 C12 H12 120.2 . . ?
C7 C12 H12 120.2 . . ?
C18 C13 C14 118.8(5) . . ?
C18 C13 P1 119.1(4) . . ?
C14 C13 P1 122.1(4) . . ?
C15 C14 C13 120.4(5) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 119.9(6) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 120.5(6) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 119.7(6) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C13 120.7(6) . . ?
C17 C18 H18 119.6 . . ?
C13 C18 H18 119.6 . . ?
C20 C19 C24 119.7(4) . . ?
C20 C19 Au1 120.0(4) . . ?
C24 C19 Au1 120.0(4) . . ?
C21 C20 C19 118.9(5) . . ?
C21 C20 C25 116.4(4) . . ?
C19 C20 C25 124.6(4) . . ?
F11 C21 C22 118.5(5) . . ?
F11 C21 C20 119.3(5) . . ?
C22 C21 C20 122.2(5) . . ?
F12 C22 C23 121.2(5) . . ?
F12 C22 C21 120.6(5) . . ?
C23 C22 C21 118.1(5) . . ?
F13 C23 C22 117.6(5) . . ?
F13 C23 C24 119.4(5) . . ?
C22 C23 C24 123.0(5) . . ?
C23 C24 C19 118.1(5) . . ?
C23 C24 C31 117.1(5) . . ?
C19 C24 C31 124.8(4) . . ?
C30 C25 C26 116.9(5) . . ?
C30 C25 C20 119.9(5) . . ?
C26 C25 C20 122.6(5) . . ?
F1 C26 C27 117.9(5) . . ?
F1 C26 C25 119.9(5) . . ?
C27 C26 C25 122.2(5) . . ?
F2 C27 C26 119.8(6) . . ?
F2 C27 C28 121.2(6) . . ?
C26 C27 C28 118.9(6) . . ?
F3 C28 C29 119.7(6) . . ?
F3 C28 C27 119.4(6) . . ?
C29 C28 C27 120.9(6) . . ?
F4 C29 C30 121.1(6) . . ?
F4 C29 C28 119.9(6) . . ?
C30 C29 C28 119.0(6) . . ?
F5 C30 C29 117.3(5) . . ?
F5 C30 C25 120.7(5) . . ?
C29 C30 C25 122.0(6) . . ?
C32 C31 C36 115.7(5) . . ?
C32 C31 C24 121.9(4) . . ?
C36 C31 C24 122.1(5) . . ?
F6 C32 C33 118.1(5) . . ?
F6 C32 C31 119.0(5) . . ?
C33 C32 C31 122.9(5) . . ?
F7 C33 C32 120.8(5) . . ?
F7 C33 C34 119.3(5) . . ?
C32 C33 C34 119.8(5) . . ?
F8 C34 C35 120.3(5) . . ?
F8 C34 C33 120.8(5) . . ?
C35 C34 C33 118.9(5) . . ?
F9 C35 C36 119.9(5) . . ?
F9 C35 C34 119.5(5) . . ?
C36 C35 C34 120.6(5) . . ?
F10 C36 C35 118.1(4) . . ?
F10 C36 C31 119.9(5) . . ?
C35 C36 C31 121.9(5) . . ?
Cl5 C37 Cl4 110.6(4) . . ?
Cl5 C37 Cl3 111.0(4) . . ?
Cl4 C37 Cl3 110.9(4) . . ?
Cl5 C37 H37 108.1 . . ?
Cl4 C37 H37 108.1 . . ?
Cl3 C37 H37 108.1 . . ?
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
Au1 C19 2.041(5) . ?
Au1 P1 2.3244(13) . ?
Au1 Cl2 2.3271(13) . ?
Au1 Cl1 2.3346(13) . ?
Cl3 C37 1.739(8) . ?
Cl4 C37 1.738(7) . ?
Cl5 C37 1.731(7) . ?
P1 C7 1.813(5) . ?
P1 C13 1.813(5) . ?
P1 C1 1.815(5) . ?
F1 C26 1.336(6) . ?
F2 C27 1.337(7) . ?
F3 C28 1.342(7) . ?
F4 C29 1.339(7) . ?
F5 C30 1.329(6) . ?
F6 C32 1.343(6) . ?
F7 C33 1.334(6) . ?
F8 C34 1.332(6) . ?
F9 C35 1.353(6) . ?
F10 C36 1.340(6) . ?
F11 C21 1.341(6) . ?
F12 C22 1.334(6) . ?
F13 C23 1.342(6) . ?
C1 C6 1.388(7) . ?
C1 C2 1.403(7) . ?
C2 C3 1.393(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.366(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.370(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.388(7) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.367(8) . ?
C7 C12 1.396(7) . ?
C8 C9 1.381(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.376(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.378(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(8) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.380(7) . ?
C13 C14 1.383(7) . ?
C14 C15 1.372(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.371(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.366(9) . ?
C16 H16 0.9500 . ?
C17 C18 1.372(8) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.399(7) . ?
C19 C24 1.408(7) . ?
C20 C21 1.392(7) . ?
C20 C25 1.495(7) . ?
C21 C22 1.372(7) . ?
C22 C23 1.366(7) . ?
C23 C24 1.391(7) . ?
C24 C31 1.484(7) . ?
C25 C30 1.383(7) . ?
C25 C26 1.390(7) . ?
C26 C27 1.364(8) . ?
C27 C28 1.375(9) . ?
C28 C29 1.372(9) . ?
C29 C30 1.371(8) . ?
C31 C32 1.379(7) . ?
C31 C36 1.397(7) . ?
C32 C33 1.367(7) . ?
C33 C34 1.376(8) . ?
C34 C35 1.371(8) . ?
C35 C36 1.364(7) . ?
C37 H37 1.0000 . ?
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
C7 P1 C1 C6 -15.3(5) . . . . ?
C13 P1 C1 C6 98.7(4) . . . . ?
Au1 P1 C1 C6 -138.7(4) . . . . ?
C7 P1 C1 C2 173.3(4) . . . . ?
C13 P1 C1 C2 -72.7(4) . . . . ?
Au1 P1 C1 C2 50.0(5) . . . . ?
C6 C1 C2 C3 0.2(8) . . . . ?
P1 C1 C2 C3 171.6(4) . . . . ?
C1 C2 C3 C4 -0.5(8) . . . . ?
C2 C3 C4 C5 0.9(9) . . . . ?
C3 C4 C5 C6 -0.8(9) . . . . ?
C2 C1 C6 C5 -0.2(8) . . . . ?
P1 C1 C6 C5 -171.5(4) . . . . ?
C4 C5 C6 C1 0.5(8) . . . . ?
C13 P1 C7 C8 -174.4(5) . . . . ?
C1 P1 C7 C8 -62.6(5) . . . . ?
Au1 P1 C7 C8 67.4(5) . . . . ?
C13 P1 C7 C12 5.7(5) . . . . ?
C1 P1 C7 C12 117.5(4) . . . . ?
Au1 P1 C7 C12 -112.5(4) . . . . ?
C12 C7 C8 C9 -3.1(9) . . . . ?
P1 C7 C8 C9 177.0(5) . . . . ?
C7 C8 C9 C10 2.2(10) . . . . ?
C8 C9 C10 C11 0.1(10) . . . . ?
C9 C10 C11 C12 -1.5(9) . . . . ?
C10 C11 C12 C7 0.6(9) . . . . ?
C8 C7 C12 C11 1.7(8) . . . . ?
P1 C7 C12 C11 -178.4(4) . . . . ?
C7 P1 C13 C18 84.7(5) . . . . ?
C1 P1 C13 C18 -26.8(5) . . . . ?
Au1 P1 C13 C18 -156.6(4) . . . . ?
C7 P1 C13 C14 -93.3(5) . . . . ?
C1 P1 C13 C14 155.2(5) . . . . ?
Au1 P1 C13 C14 25.3(5) . . . . ?
C18 C13 C14 C15 -0.9(9) . . . . ?
P1 C13 C14 C15 177.1(5) . . . . ?
C13 C14 C15 C16 0.4(11) . . . . ?
C14 C15 C16 C17 -0.1(11) . . . . ?
C15 C16 C17 C18 0.4(11) . . . . ?
C16 C17 C18 C13 -0.9(10) . . . . ?
C14 C13 C18 C17 1.2(9) . . . . ?
P1 C13 C18 C17 -176.9(5) . . . . ?
C24 C19 C20 C21 -2.0(7) . . . . ?
Au1 C19 C20 C21 -176.3(3) . . . . ?
C24 C19 C20 C25 176.4(4) . . . . ?
Au1 C19 C20 C25 2.2(6) . . . . ?
C19 C20 C21 F11 179.5(4) . . . . ?
C25 C20 C21 F11 0.9(7) . . . . ?
C19 C20 C21 C22 1.2(7) . . . . ?
C25 C20 C21 C22 -177.4(5) . . . . ?
F11 C21 C22 F12 -1.2(8) . . . . ?
C20 C21 C22 F12 177.1(4) . . . . ?
F11 C21 C22 C23 -178.2(4) . . . . ?
C20 C21 C22 C23 0.1(8) . . . . ?
F12 C22 C23 F13 1.2(8) . . . . ?
C21 C22 C23 F13 178.2(5) . . . . ?
F12 C22 C23 C24 -177.7(5) . . . . ?
C21 C22 C23 C24 -0.7(8) . . . . ?
F13 C23 C24 C19 -179.0(4) . . . . ?
C22 C23 C24 C19 -0.1(8) . . . . ?
F13 C23 C24 C31 -0.4(7) . . . . ?
C22 C23 C24 C31 178.5(5) . . . . ?
C20 C19 C24 C23 1.5(7) . . . . ?
Au1 C19 C24 C23 175.8(3) . . . . ?
C20 C19 C24 C31 -177.0(4) . . . . ?
Au1 C19 C24 C31 -2.7(7) . . . . ?
C21 C20 C25 C30 69.6(6) . . . . ?
C19 C20 C25 C30 -108.9(6) . . . . ?
C21 C20 C25 C26 -101.7(6) . . . . ?
C19 C20 C25 C26 79.8(6) . . . . ?
C30 C25 C26 F1 -175.5(4) . . . . ?
C20 C25 C26 F1 -3.9(7) . . . . ?
C30 C25 C26 C27 2.4(8) . . . . ?
C20 C25 C26 C27 174.0(5) . . . . ?
F1 C26 C27 F2 -0.5(8) . . . . ?
C25 C26 C27 F2 -178.5(5) . . . . ?
F1 C26 C27 C28 176.9(5) . . . . ?
C25 C26 C27 C28 -1.0(9) . . . . ?
F2 C27 C28 F3 -1.4(9) . . . . ?
C26 C27 C28 F3 -178.8(5) . . . . ?
F2 C27 C28 C29 177.4(6) . . . . ?
C26 C27 C28 C29 0.0(9) . . . . ?
F3 C28 C29 F4 0.4(9) . . . . ?
C27 C28 C29 F4 -178.4(5) . . . . ?
F3 C28 C29 C30 178.4(5) . . . . ?
C27 C28 C29 C30 -0.3(9) . . . . ?
F4 C29 C30 F5 0.3(8) . . . . ?
C28 C29 C30 F5 -177.8(5) . . . . ?
F4 C29 C30 C25 179.8(5) . . . . ?
C28 C29 C30 C25 1.8(9) . . . . ?
C26 C25 C30 F5 176.8(4) . . . . ?
C20 C25 C30 F5 5.0(7) . . . . ?
C26 C25 C30 C29 -2.7(8) . . . . ?
C20 C25 C30 C29 -174.6(5) . . . . ?
C23 C24 C31 C32 64.5(7) . . . . ?
C19 C24 C31 C32 -117.0(6) . . . . ?
C23 C24 C31 C36 -109.0(6) . . . . ?
C19 C24 C31 C36 69.5(7) . . . . ?
C36 C31 C32 F6 175.8(4) . . . . ?
C24 C31 C32 F6 1.9(8) . . . . ?
C36 C31 C32 C33 -3.6(8) . . . . ?
C24 C31 C32 C33 -177.5(5) . . . . ?
F6 C32 C33 F7 3.8(8) . . . . ?
C31 C32 C33 F7 -176.8(5) . . . . ?
F6 C32 C33 C34 -177.6(5) . . . . ?
C31 C32 C33 C34 1.8(9) . . . . ?
F7 C33 C34 F8 -1.2(9) . . . . ?
C32 C33 C34 F8 -179.8(5) . . . . ?
F7 C33 C34 C35 179.6(5) . . . . ?
C32 C33 C34 C35 1.0(9) . . . . ?
F8 C34 C35 F9 -2.1(9) . . . . ?
C33 C34 C35 F9 177.2(5) . . . . ?
F8 C34 C35 C36 178.9(5) . . . . ?
C33 C34 C35 C36 -1.8(9) . . . . ?
F9 C35 C36 F10 -2.3(8) . . . . ?
C34 C35 C36 F10 176.7(5) . . . . ?
F9 C35 C36 C31 -179.1(5) . . . . ?
C34 C35 C36 C31 -0.1(9) . . . . ?
C32 C31 C36 F10 -174.0(5) . . . . ?
C24 C31 C36 F10 -0.1(8) . . . . ?
C32 C31 C36 C35 2.7(8) . . . . ?
C24 C31 C36 C35 176.6(5) . . . . ?
