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#$Date: 2023-03-04 20:05:51 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281399 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/80/1568089.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_1568089
loop_
_publ_author_name
'Johnson, Alice'
'Olelewe, Chibuzor'
'Kim, Jong Hyun'
'Northcote-Smith, Joshua'
'Mertens, R. Tyler'
'Passeri, Ginevra'
'Singh, Kuldip'
'Awuah, Samuel G.'
'Suntharalingam, Kogularamanan'
_publ_section_title
;
 The anti-breast cancer stem cell properties of gold(i)-non-steroidal
 anti-inflammatory drug complexes.
;
_journal_issue                   3
_journal_name_full               'Chemical science'
_journal_page_first              557
_journal_page_last               565
_journal_paper_doi               10.1039/d2sc04707a
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C31 H22 Au F2 O3 P'
_chemical_formula_sum            'C31 H22 Au F2 O3 P'
_chemical_formula_weight         708.42
_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
;
2022-05-30 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.801(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.632(3)
_cell_length_b                   11.016(3)
_cell_length_c                   20.856(5)
_cell_measurement_reflns_used    787
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.924
_cell_measurement_theta_min      2.631
_cell_volume                     2625.1(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1375
_diffrn_reflns_av_unetI/netI     0.1031
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            19994
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.996
_diffrn_reflns_theta_min         1.871
_exptl_absorpt_coefficient_mu    5.711
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_correction_T_min  0.208
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
absorption correction based on 6798 reflections(SADABS);Rint 0.1723 before
correction and 0.0722 after.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_description       plate
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.765
_refine_diff_density_min         -1.358
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         5156
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.923
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0520
_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)+(0.0371P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.1035
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3555
_reflns_number_total             5156
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc04707a2.cif
_cod_data_source_block           21030
_cod_depositor_comments
'Adding full bibliography for 1568086--1568093.cif.'
_cod_original_cell_volume        2625.0(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1568089
_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. 
;
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 0.50448(2) 0.87799(3) 0.11073(2) 0.04041(12) Uani 1 1 d . . . . .
F1 F 0.9098(4) 0.6581(4) -0.0003(2) 0.0537(13) Uani 1 1 d . . . . .
F2 F 1.3047(5) 0.6545(6) -0.0162(4) 0.107(2) Uani 1 1 d . . . . .
O1 O 0.6486(4) 0.7679(6) 0.1195(2) 0.0470(14) Uani 1 1 d . . . . .
O2 O 0.5986(5) 0.6694(5) 0.2028(3) 0.0548(16) Uani 1 1 d . . . . .
O3 O 0.7239(6) 0.4904(6) 0.2541(3) 0.0590(17) Uani 1 1 d . . . . .
H3 H 0.665117 0.536049 0.246764 0.088 Uiso 1 1 calc R U . . .
P1 P 0.35932(16) 1.0103(2) 0.09366(9) 0.0362(5) Uani 1 1 d . . . . .
C1 C 0.6682(7) 0.6894(8) 0.1642(4) 0.0410(19) Uani 1 1 d . . . . .
C2 C 0.7775(6) 0.6163(7) 0.1697(3) 0.0356(17) Uani 1 1 d . . . . .
C3 C 0.7977(7) 0.5197(8) 0.2136(3) 0.046(2) Uani 1 1 d . . . . .
C4 C 0.8970(9) 0.4475(8) 0.2146(4) 0.056(2) Uani 1 1 d . . . . .
H4 H 0.910165 0.378748 0.242523 0.067 Uiso 1 1 calc R U . . .
C5 C 0.9756(7) 0.4764(8) 0.1752(4) 0.049(2) Uani 1 1 d . . . . .
H5 H 1.043808 0.428000 0.177378 0.058 Uiso 1 1 calc R U . . .
C6 C 0.9585(7) 0.5724(7) 0.1329(4) 0.0391(18) Uani 1 1 d . . . . .
C7 C 0.8578(6) 0.6423(7) 0.1304(3) 0.0325(16) Uani 1 1 d . . . . .
H7 H 0.844061 0.709111 0.101193 0.039 Uiso 1 1 calc R U . . .
C8 C 1.0491(7) 0.6037(7) 0.0929(4) 0.047(2) Uani 1 1 d . . . . .
C9 C 1.0249(7) 0.6442(7) 0.0294(4) 0.045(2) Uani 1 1 d . . . . .
C10 C 1.1076(9) 0.6614(8) -0.0088(5) 0.059(2) Uani 1 1 d . . . . .
H10 H 1.088184 0.687141 -0.053033 0.071 Uiso 1 1 calc R U . . .
C11 C 1.2228(9) 0.6381(9) 0.0225(6) 0.070(3) Uani 1 1 d . . . . .
C12 C 1.2535(9) 0.6046(10) 0.0844(6) 0.081(3) Uani 1 1 d . . . . .
H12 H 1.333485 0.593029 0.103547 0.097 Uiso 1 1 calc R U . . .
C13 C 1.1672(7) 0.5871(9) 0.1201(5) 0.061(3) Uani 1 1 d . . . . .
H13 H 1.188265 0.563036 0.164462 0.074 Uiso 1 1 calc R U . . .
C14 C 0.2642(6) 1.0090(8) 0.1538(3) 0.0366(18) Uani 1 1 d . . . . .
C15 C 0.2371(7) 0.8974(8) 0.1783(4) 0.047(2) Uani 1 1 d . . . . .
H15 H 0.270398 0.824964 0.165154 0.057 Uiso 1 1 calc R U . . .
C16 C 0.1603(7) 0.8927(9) 0.2225(4) 0.054(2) Uani 1 1 d . . . . .
H16 H 0.140280 0.816823 0.239144 0.065 Uiso 1 1 calc R U . . .
C17 C 0.1134(6) 0.9997(9) 0.2419(4) 0.048(2) Uani 1 1 d . . . . .
H17 H 0.063191 0.996729 0.272902 0.058 Uiso 1 1 calc R U . . .
C18 C 0.1387(6) 1.1092(9) 0.2169(4) 0.046(2) Uani 1 1 d . . . . .
H18 H 0.105084 1.181595 0.229887 0.056 Uiso 1 1 calc R U . . .
C19 C 0.2140(6) 1.1140(8) 0.1721(4) 0.0404(18) Uani 1 1 d . . . . .
H19 H 0.230840 1.189772 0.154197 0.048 Uiso 1 1 calc R U . . .
C20 C 0.2656(6) 0.9950(7) 0.0140(3) 0.0359(18) Uani 1 1 d . . . . .
C21 C 0.1569(7) 1.0486(8) 0.0001(4) 0.044(2) Uani 1 1 d . . . . .
H21 H 0.127419 1.091031 0.033212 0.053 Uiso 1 1 calc R U . . .
C22 C 0.0902(6) 1.0406(9) -0.0626(4) 0.053(2) Uani 1 1 d . . . . .
H22 H 0.014712 1.076727 -0.072167 0.063 Uiso 1 1 calc R U . . .
C23 C 0.1328(7) 0.9817(10) -0.1096(4) 0.063(3) Uani 1 1 d . . . . .
H23 H 0.088467 0.979760 -0.152717 0.076 Uiso 1 1 calc R U . . .
C24 C 0.2410(7) 0.9233(9) -0.0959(4) 0.058(3) Uani 1 1 d . . . . .
H24 H 0.267860 0.877786 -0.128875 0.070 Uiso 1 1 calc R U . . .
C25 C 0.3092(6) 0.9321(8) -0.0341(3) 0.045(2) Uani 1 1 d . . . . .
H25 H 0.384561 0.895744 -0.024627 0.055 Uiso 1 1 calc R U . . .
C26 C 0.4158(6) 1.1636(7) 0.0954(4) 0.0399(19) Uani 1 1 d . . . . .
C27 C 0.3892(7) 1.2452(8) 0.0453(4) 0.045(2) Uani 1 1 d . . . . .
H27 H 0.334527 1.223748 0.007201 0.054 Uiso 1 1 calc R U . . .
C28 C 0.4408(8) 1.3578(9) 0.0497(5) 0.062(3) Uani 1 1 d . . . . .
H28 H 0.423080 1.412860 0.014134 0.074 Uiso 1 1 calc R U . . .
C29 C 0.5190(8) 1.3919(9) 0.1060(5) 0.062(3) Uani 1 1 d . . . . .
H29 H 0.552864 1.470651 0.109989 0.074 Uiso 1 1 calc R U . . .
C30 C 0.5452(8) 1.3101(10) 0.1547(5) 0.062(3) Uani 1 1 d . . . . .
H30 H 0.599973 1.332222 0.192670 0.075 Uiso 1 1 calc R U . . .
C31 C 0.4973(7) 1.1987(9) 0.1518(4) 0.052(2) Uani 1 1 d . . . . .
H31 H 0.517790 1.143847 0.187303 0.063 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'
O O 0.0106 0.0060 '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'
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
O1 Au1 P1 173.20(17) . . ?
C1 O1 Au1 120.3(5) . . ?
C3 O3 H3 109.5 . . ?
C26 P1 C20 104.9(4) . . ?
C26 P1 C14 105.0(4) . . ?
C20 P1 C14 106.9(3) . . ?
C26 P1 Au1 110.4(2) . . ?
C20 P1 Au1 113.4(3) . . ?
C14 P1 Au1 115.4(3) . . ?
O1 C1 O2 122.8(8) . . ?
O1 C1 C2 117.5(6) . . ?
O2 C1 C2 119.7(8) . . ?
C7 C2 C3 119.9(7) . . ?
C7 C2 C1 120.2(7) . . ?
C3 C2 C1 119.9(7) . . ?
O3 C3 C2 123.0(8) . . ?
O3 C3 C4 118.3(8) . . ?
C2 C3 C4 118.7(7) . . ?
C5 C4 C3 119.9(8) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 122.1(8) . . ?
C6 C5 H5 118.9 . . ?
C4 C5 H5 118.9 . . ?
C5 C6 C7 118.0(7) . . ?
C5 C6 C8 120.3(7) . . ?
C7 C6 C8 121.6(7) . . ?
C2 C7 C6 121.3(7) . . ?
C2 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C9 C8 C13 116.2(8) . . ?
C9 C8 C6 124.8(7) . . ?
C13 C8 C6 118.9(8) . . ?
C10 C9 C8 124.4(8) . . ?
C10 C9 F1 116.8(8) . . ?
C8 C9 F1 118.4(7) . . ?
C9 C10 C11 114.6(9) . . ?
C9 C10 H10 122.7 . . ?
C11 C10 H10 122.7 . . ?
C12 C11 F2 121.3(10) . . ?
C12 C11 C10 124.4(9) . . ?
F2 C11 C10 114.3(11) . . ?
C11 C12 C13 118.5(9) . . ?
C11 C12 H12 120.8 . . ?
C13 C12 H12 120.8 . . ?
C12 C13 C8 121.7(10) . . ?
C12 C13 H13 119.1 . . ?
C8 C13 H13 119.1 . . ?
C19 C14 C15 120.2(7) . . ?
C19 C14 P1 121.8(6) . . ?
C15 C14 P1 117.9(6) . . ?
C14 C15 C16 119.4(8) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C17 C16 C15 119.5(8) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C18 C17 C16 120.9(8) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 119.7(8) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C14 C19 C18 120.2(8) . . ?
C14 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C21 C20 C25 120.5(7) . . ?
C21 C20 P1 121.6(6) . . ?
C25 C20 P1 117.9(5) . . ?
C20 C21 C22 120.0(8) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 C22 C21 119.8(8) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 121.1(7) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C25 C24 C23 119.7(8) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C20 118.9(8) . . ?
C24 C25 H25 120.6 . . ?
C20 C25 H25 120.6 . . ?
C27 C26 C31 118.3(8) . . ?
C27 C26 P1 124.6(6) . . ?
C31 C26 P1 117.0(6) . . ?
C26 C27 C28 120.6(8) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C27 C28 C29 120.4(9) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C30 C29 C28 118.3(9) . . ?
C30 C29 H29 120.9 . . ?
C28 C29 H29 120.9 . . ?
C31 C30 C29 122.9(10) . . ?
C31 C30 H30 118.6 . . ?
C29 C30 H30 118.6 . . ?
C30 C31 C26 119.5(9) . . ?
C30 C31 H31 120.3 . . ?
C26 C31 H31 120.3 . . ?
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 O1 2.049(5) . ?
Au1 P1 2.208(2) . ?
F1 C9 1.375(9) . ?
F2 C11 1.371(10) . ?
O1 C1 1.261(9) . ?
O2 C1 1.263(8) . ?
O3 C3 1.351(9) . ?
O3 H3 0.8400 . ?
P1 C26 1.810(8) . ?
P1 C20 1.817(7) . ?
P1 C14 1.822(7) . ?
C1 C2 1.491(11) . ?
C2 C7 1.383(9) . ?
C2 C3 1.394(11) . ?
C3 C4 1.399(12) . ?
C4 C5 1.377(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.368(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.395(10) . ?
C6 C8 1.501(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.374(11) . ?
C8 C13 1.397(11) . ?
C9 C10 1.373(11) . ?
C10 C11 1.400(14) . ?
C10 H10 0.9500 . ?
C11 C12 1.325(14) . ?
C12 C13 1.371(14) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.380(10) . ?
C14 C15 1.390(11) . ?
C15 C16 1.400(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.368(11) . ?
C17 H17 0.9500 . ?
C18 C19 1.396(10) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.376(10) . ?
C20 C25 1.390(10) . ?
C21 C22 1.392(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.345(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.395(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.385(10) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.369(11) . ?
C26 C31 1.420(10) . ?
C27 C28 1.374(11) . ?
C27 H27 0.9500 . ?
C28 C29 1.396(12) . ?
C28 H28 0.9500 . ?
C29 C30 1.348(13) . ?
C29 H29 0.9500 . ?
C30 C31 1.346(12) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O3 H3 O2 0.84 1.83 2.565(9) 145.9 . yes
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
Au1 O1 C1 O2 4.3(10) . . . . ?
Au1 O1 C1 C2 -177.2(5) . . . . ?
O1 C1 C2 C7 5.4(10) . . . . ?
O2 C1 C2 C7 -176.1(7) . . . . ?
O1 C1 C2 C3 -173.2(7) . . . . ?
O2 C1 C2 C3 5.3(11) . . . . ?
C7 C2 C3 O3 178.9(7) . . . . ?
C1 C2 C3 O3 -2.5(11) . . . . ?
C7 C2 C3 C4 -2.8(11) . . . . ?
C1 C2 C3 C4 175.7(7) . . . . ?
O3 C3 C4 C5 -178.4(7) . . . . ?
C2 C3 C4 C5 3.3(12) . . . . ?
C3 C4 C5 C6 -1.9(13) . . . . ?
C4 C5 C6 C7 0.1(12) . . . . ?
C4 C5 C6 C8 177.3(8) . . . . ?
C3 C2 C7 C6 1.0(11) . . . . ?
C1 C2 C7 C6 -177.5(7) . . . . ?
C5 C6 C7 C2 0.4(11) . . . . ?
C8 C6 C7 C2 -176.8(7) . . . . ?
C5 C6 C8 C9 142.5(9) . . . . ?
C7 C6 C8 C9 -40.4(12) . . . . ?
C5 C6 C8 C13 -34.9(11) . . . . ?
C7 C6 C8 C13 142.2(8) . . . . ?
C13 C8 C9 C10 4.1(12) . . . . ?
C6 C8 C9 C10 -173.4(8) . . . . ?
C13 C8 C9 F1 177.8(7) . . . . ?
C6 C8 C9 F1 0.4(12) . . . . ?
C8 C9 C10 C11 -2.0(13) . . . . ?
F1 C9 C10 C11 -175.8(7) . . . . ?
C9 C10 C11 C12 -1.5(15) . . . . ?
C9 C10 C11 F2 179.5(8) . . . . ?
F2 C11 C12 C13 -178.6(9) . . . . ?
C10 C11 C12 C13 2.5(17) . . . . ?
C11 C12 C13 C8 -0.1(16) . . . . ?
C9 C8 C13 C12 -3.0(13) . . . . ?
C6 C8 C13 C12 174.6(9) . . . . ?
C26 P1 C14 C19 23.6(7) . . . . ?
C20 P1 C14 C19 -87.5(7) . . . . ?
Au1 P1 C14 C19 145.4(5) . . . . ?
C26 P1 C14 C15 -160.3(6) . . . . ?
C20 P1 C14 C15 88.6(6) . . . . ?
Au1 P1 C14 C15 -38.5(6) . . . . ?
C19 C14 C15 C16 -1.2(11) . . . . ?
P1 C14 C15 C16 -177.3(6) . . . . ?
C14 C15 C16 C17 -0.8(12) . . . . ?
C15 C16 C17 C18 1.9(12) . . . . ?
C16 C17 C18 C19 -1.1(11) . . . . ?
C15 C14 C19 C18 2.0(11) . . . . ?
P1 C14 C19 C18 178.0(5) . . . . ?
C17 C18 C19 C14 -0.9(11) . . . . ?
C26 P1 C20 C21 -74.9(7) . . . . ?
C14 P1 C20 C21 36.3(8) . . . . ?
Au1 P1 C20 C21 164.6(6) . . . . ?
C26 P1 C20 C25 102.1(7) . . . . ?
C14 P1 C20 C25 -146.8(6) . . . . ?
Au1 P1 C20 C25 -18.5(7) . . . . ?
C25 C20 C21 C22 -0.4(12) . . . . ?
P1 C20 C21 C22 176.4(6) . . . . ?
C20 C21 C22 C23 -0.8(13) . . . . ?
C21 C22 C23 C24 2.9(15) . . . . ?
C22 C23 C24 C25 -3.9(15) . . . . ?
C23 C24 C25 C20 2.7(14) . . . . ?
C21 C20 C25 C24 -0.6(13) . . . . ?
P1 C20 C25 C24 -177.6(7) . . . . ?
C20 P1 C26 C27 0.1(7) . . . . ?
C14 P1 C26 C27 -112.4(7) . . . . ?
Au1 P1 C26 C27 122.6(6) . . . . ?
C20 P1 C26 C31 -177.1(6) . . . . ?
C14 P1 C26 C31 70.4(6) . . . . ?
Au1 P1 C26 C31 -54.6(6) . . . . ?
C31 C26 C27 C28 0.4(11) . . . . ?
P1 C26 C27 C28 -176.8(6) . . . . ?
C26 C27 C28 C29 -1.6(12) . . . . ?
C27 C28 C29 C30 2.2(13) . . . . ?
C28 C29 C30 C31 -1.6(13) . . . . ?
C29 C30 C31 C26 0.4(13) . . . . ?
C27 C26 C31 C30 0.3(11) . . . . ?
P1 C26 C31 C30 177.6(6) . . . . ?
