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#$Date: 2022-06-24 10:11:39 +0300 (Fri, 24 Jun 2022) $
#$Revision: 276222 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/54/8105491.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_8105491
loop_
_publ_author_name
'Yeo, Chien Ing'
'Tiekink, Edward R.T.'
_publ_section_title
;
 Crystal structure of (μ2-1,1′-bis(diphenylphosphino)hexane-κ2
 P,P′)-bis[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-\kS]digold(I),
 C46H46Au2F2N2O2P2S2
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1449
_journal_page_last               1451
_journal_paper_doi               10.1515/ncrs-2020-0354
_journal_volume                  235
_journal_year                    2020
_chemical_formula_moiety         'C46 H46 Au2 F2 N2 O2 P2 S2'
_chemical_formula_sum            'C46 H46 Au2 F2 N2 O2 P2 S2'
_chemical_formula_weight         1216.84
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                109.171(3)
_cell_angle_beta                 92.496(3)
_cell_angle_gamma                100.208(3)
_cell_formula_units_Z            1
_cell_length_a                   8.2496(3)
_cell_length_b                   11.4366(4)
_cell_length_c                   12.9504(4)
_cell_measurement_reflns_used    10998
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.1290
_cell_measurement_theta_min      3.0860
_cell_volume                     1128.98(7)
_computing_cell_refinement       'CrysAlis PRO [1]'
_computing_data_collection       'CrysAlis PRO [1]'
_computing_data_reduction        'CrysAlis PRO [1]'
_computing_molecular_graphics    'ORTEP-3 for Windows [4]'
_computing_publication_material  'SHELXL-2018/3 [3]'
_computing_structure_refinement  'SHELXL-2018/3 [3]'
_computing_structure_solution    'SHELXL-97 [2]'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'Agilent Technologies SuperNova Dual diffractometer with Atlas detector'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_av_unetI/netI     0.0453
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26035
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        27.500
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         2.873
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.701
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54101
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlis PRO [1]'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.790
_exptl_crystal_description       block
_exptl_crystal_F_000             590
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.240
_refine_diff_density_max         1.119
_refine_diff_density_min         -1.054
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         5183
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0280
_refine_ls_R_factor_gt           0.0246
_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)+(0.0214P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0535
_refine_ls_wR_factor_ref         0.0560
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4889
_reflns_number_total             5183
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2020-0354_suppl.cif
_cod_data_source_block           shelx
_cod_database_code               8105491
_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   0.238
_shelx_estimated_absorpt_t_max   0.296
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au 0.97896(2) 0.25052(2) 0.49788(2) 0.01946(5) Uani 1 1 d . . . . .
S1 S 0.98478(13) 0.09912(8) 0.33039(7) 0.0296(2) Uani 1 1 d . . . . .
P1 P 0.96417(10) 0.40673(8) 0.65548(6) 0.01542(17) Uani 1 1 d . . . . .
O1 O 0.7903(3) -0.0164(2) 0.43519(17) 0.0279(6) Uani 1 1 d . . . . .
N1 N 0.7568(4) -0.1193(3) 0.2504(2) 0.0218(6) Uani 1 1 d . . . . .
C1 C 0.8289(4) -0.0256(3) 0.3333(2) 0.0209(7) Uani 1 1 d . . . . .
C2 C 0.7898(4) -0.1212(3) 0.1432(2) 0.0225(7) Uani 0.670(6) 1 d . . P A 1
C3 C 0.7076(5) -0.0561(3) 0.0922(3) 0.0305(8) Uani 0.670(6) 1 d . . P A 1
H3 H 0.630618 -0.008622 0.128836 0.037 Uiso 0.670(6) 1 calc R U P A 1
C4 C 0.7395(5) -0.0614(4) -0.0129(3) 0.0423(11) Uani 0.670(6) 1 d . . P A 1
F1 F 0.6603(4) -0.0118(3) -0.0698(3) 0.0435(11) Uani 0.670(6) 1 d . . P A 1
C5 C 0.8483(6) -0.1289(4) -0.0696(3) 0.0419(12) Uani 0.670(6) 1 d . . P A 1
H5 H 0.868862 -0.130630 -0.141690 0.050 Uiso 0.670(6) 1 calc R U P A 1
C6 C 0.9258(6) -0.1935(4) -0.0179(3) 0.0414(11) Uani 0.670(6) 1 d . . P A 1
H6 H 1.002071 -0.241244 -0.055287 0.050 Uiso 0.670(6) 1 calc R U P A 1
C7 C 0.8978(5) -0.1922(3) 0.0866(3) 0.0294(8) Uani 0.670(6) 1 d . . P A 1
H7 H 0.952296 -0.239685 0.119604 0.035 Uiso 0.670(6) 1 calc R U P A 1
C2' C 0.7898(4) -0.1212(3) 0.1432(2) 0.0225(7) Uani 0.330(6) 1 d . . P A 2
C3' C 0.7076(5) -0.0561(3) 0.0922(3) 0.0305(8) Uani 0.330(6) 1 d . . P A 2
H3' H 0.630618 -0.008622 0.128836 0.037 Uiso 0.330(6) 1 calc R U P A 2
C4' C 0.7395(5) -0.0614(4) -0.0129(3) 0.0423(11) Uani 0.330(6) 1 d . . P A 2
H4' H 0.683218 -0.016148 -0.047355 0.051 Uiso 0.330(6) 1 calc R U P A 2
C5' C 0.8483(6) -0.1289(4) -0.0696(3) 0.0419(12) Uani 0.330(6) 1 d . . P A 2
H5' H 0.868862 -0.130630 -0.141690 0.050 Uiso 0.330(6) 1 calc R U P A 2
C6' C 0.9258(6) -0.1935(4) -0.0179(3) 0.0414(11) Uani 0.330(6) 1 d . . P A 2
F1' F 0.9943(9) -0.2583(6) -0.0855(5) 0.041(2) Uani 0.330(6) 1 d . . P A 2
C7' C 0.8978(5) -0.1922(3) 0.0866(3) 0.0294(8) Uani 0.330(6) 1 d . . P A 2
H7' H 0.952296 -0.239685 0.119604 0.035 Uiso 0.330(6) 1 calc R U P A 2
C8 C 0.6606(5) -0.1140(3) 0.4440(3) 0.0302(8) Uani 1 1 d . . . . .
H8A H 0.559975 -0.118793 0.398340 0.045 Uiso 1 1 calc R U . . .
H8B H 0.637847 -0.094160 0.520806 0.045 Uiso 1 1 calc R U . . .
H8C H 0.695654 -0.195324 0.418666 0.045 Uiso 1 1 calc R U . . .
C11 C 0.8457(4) 0.5171(3) 0.6317(2) 0.0196(7) Uani 1 1 d . . . . .
H11A H 0.828846 0.577581 0.703209 0.024 Uiso 1 1 calc R U . . .
H11B H 0.909014 0.565868 0.590703 0.024 Uiso 1 1 calc R U . . .
C12 C 0.6778(4) 0.4486(3) 0.5666(3) 0.0223(7) Uani 1 1 d . . . . .
H12A H 0.694874 0.380724 0.499705 0.027 Uiso 1 1 calc R U . . .
H12B H 0.610312 0.408126 0.611733 0.027 Uiso 1 1 calc R U . . .
C13 C 0.5824(4) 0.5348(3) 0.5328(3) 0.0230(7) Uani 1 1 d . . . . .
H13A H 0.563610 0.601951 0.599610 0.028 Uiso 1 1 calc R U . . .
H13B H 0.650151 0.576076 0.488300 0.028 Uiso 1 1 calc R U . . .
C21 C 0.8579(4) 0.3474(3) 0.7531(2) 0.0175(6) Uani 1 1 d . . . . .
C22 C 0.7765(5) 0.2221(3) 0.7213(3) 0.0275(8) Uani 1 1 d . . . . .
H22 H 0.780031 0.166404 0.648874 0.033 Uiso 1 1 calc R U . . .
C23 C 0.6897(5) 0.1776(4) 0.7949(3) 0.0359(9) Uani 1 1 d . . . . .
H23 H 0.633231 0.091884 0.772611 0.043 Uiso 1 1 calc R U . . .
C24 C 0.6856(5) 0.2579(3) 0.9001(3) 0.0302(8) Uani 1 1 d . . . . .
H24 H 0.625145 0.227530 0.950067 0.036 Uiso 1 1 calc R U . . .
C25 C 0.7687(4) 0.3821(3) 0.9335(3) 0.0241(8) Uani 1 1 d . . . . .
H25 H 0.767057 0.436433 1.006693 0.029 Uiso 1 1 calc R U . . .
C26 C 0.8551(4) 0.4283(3) 0.8601(2) 0.0192(7) Uani 1 1 d . . . . .
H26 H 0.911478 0.514142 0.882797 0.023 Uiso 1 1 calc R U . . .
C31 C 1.1635(4) 0.4955(3) 0.7282(2) 0.0156(6) Uani 1 1 d . . . . .
C32 C 1.2690(4) 0.4280(3) 0.7600(2) 0.0195(7) Uani 1 1 d . . . . .
H32 H 1.232752 0.339898 0.745266 0.023 Uiso 1 1 calc R U . . .
C33 C 1.4249(4) 0.4873(3) 0.8125(3) 0.0238(7) Uani 1 1 d . . . . .
H33 H 1.495443 0.440081 0.833949 0.029 Uiso 1 1 calc R U . . .
C34 C 1.4796(4) 0.6153(3) 0.8343(3) 0.0284(8) Uani 1 1 d . . . . .
H34 H 1.587132 0.656399 0.871050 0.034 Uiso 1 1 calc R U . . .
C35 C 1.3773(5) 0.6827(3) 0.8025(3) 0.0294(8) Uani 1 1 d . . . . .
H35 H 1.415204 0.770603 0.816973 0.035 Uiso 1 1 calc R U . . .
C36 C 1.2190(4) 0.6244(3) 0.7495(3) 0.0231(7) Uani 1 1 d . . . . .
H36 H 1.149321 0.672074 0.727893 0.028 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
P1 Au S1 175.77(3) . .
C1 S1 Au 101.85(10) . .
C31 P1 C21 105.05(14) . .
C31 P1 C11 108.32(15) . .
C21 P1 C11 105.18(14) . .
C31 P1 Au 114.10(10) . .
C21 P1 Au 112.13(11) . .
C11 P1 Au 111.49(10) . .
C1 O1 C8 116.8(3) . .
C1 N1 C2' 119.2(3) . .
C1 N1 C2 119.2(3) . .
N1 C1 O1 120.5(3) . .
N1 C1 S1 125.9(2) . .
O1 C1 S1 113.6(2) . .
C7 C2 C3 119.2(3) . .
C7 C2 N1 120.8(3) . .
C3 C2 N1 119.9(3) . .
C4 C3 C2 118.8(4) . .
C4 C3 H3 120.6 . .
C2 C3 H3 120.6 . .
F1 C4 C5 113.6(4) . .
F1 C4 C3 123.1(4) . .
C5 C4 C3 123.1(4) . .
C6 C5 C4 116.8(3) . .
C6 C5 H5 121.6 . .
C4 C5 H5 121.6 . .
C5 C6 C7 122.5(4) . .
C5 C6 H6 118.8 . .
C7 C6 H6 118.8 . .
C6 C7 C2 119.6(4) . .
C6 C7 H7 120.2 . .
C2 C7 H7 120.2 . .
C7' C2' C3' 119.2(3) . .
C7' C2' N1 120.8(3) . .
C3' C2' N1 119.9(3) . .
C4' C3' C2' 118.8(4) . .
C4' C3' H3' 120.6 . .
C2' C3' H3' 120.6 . .
C5' C4' C3' 123.1(4) . .
C5' C4' H4' 118.5 . .
C3' C4' H4' 118.5 . .
C6' C5' C4' 116.8(3) . .
C6' C5' H5' 121.6 . .
C4' C5' H5' 121.6 . .
F1' C6' C5' 105.8(5) . .
F1' C6' C7' 130.9(6) . .
C5' C6' C7' 122.5(4) . .
C6' C7' C2' 119.6(4) . .
C6' C7' H7' 120.2 . .
C2' C7' H7' 120.2 . .
O1 C8 H8A 109.5 . .
O1 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
O1 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C12 C11 P1 111.4(2) . .
C12 C11 H11A 109.3 . .
P1 C11 H11A 109.3 . .
C12 C11 H11B 109.3 . .
P1 C11 H11B 109.3 . .
H11A C11 H11B 108.0 . .
C13 C12 C11 113.5(3) . .
C13 C12 H12A 108.9 . .
C11 C12 H12A 108.9 . .
C13 C12 H12B 108.9 . .
C11 C12 H12B 108.9 . .
H12A C12 H12B 107.7 . .
C13 C13 C12 112.8(3) 2_666 .
C13 C13 H13A 109.0 2_666 .
C12 C13 H13A 109.0 . .
C13 C13 H13B 109.0 2_666 .
C12 C13 H13B 109.0 . .
H13A C13 H13B 107.8 . .
C22 C21 C26 119.8(3) . .
C22 C21 P1 120.2(2) . .
C26 C21 P1 120.0(2) . .
C21 C22 C23 120.2(3) . .
C21 C22 H22 119.9 . .
C23 C22 H22 119.9 . .
C24 C23 C22 119.9(3) . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C23 C24 C25 120.4(3) . .
C23 C24 H24 119.8 . .
C25 C24 H24 119.8 . .
C24 C25 C26 120.2(3) . .
C24 C25 H25 119.9 . .
C26 C25 H25 119.9 . .
C21 C26 C25 119.4(3) . .
C21 C26 H26 120.3 . .
C25 C26 H26 120.3 . .
C32 C31 C36 118.9(3) . .
C32 C31 P1 116.9(2) . .
C36 C31 P1 124.1(2) . .
C33 C32 C31 120.8(3) . .
C33 C32 H32 119.6 . .
C31 C32 H32 119.6 . .
C32 C33 C34 120.3(3) . .
C32 C33 H33 119.9 . .
C34 C33 H33 119.9 . .
C35 C34 C33 119.5(3) . .
C35 C34 H34 120.3 . .
C33 C34 H34 120.3 . .
C34 C35 C36 121.0(3) . .
C34 C35 H35 119.5 . .
C36 C35 H35 119.5 . .
C35 C36 C31 119.4(3) . .
C35 C36 H36 120.3 . .
C31 C36 H36 120.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au P1 2.2531(8) .
Au S1 2.2972(8) .
S1 C1 1.755(3) .
P1 C31 1.807(3) .
P1 C21 1.810(3) .
P1 C11 1.820(3) .
O1 C1 1.346(3) .
O1 C8 1.440(4) .
N1 C1 1.272(4) .
N1 C2' 1.421(4) .
N1 C2 1.421(4) .
C2 C7 1.382(5) .
C2 C3 1.382(5) .
C3 C4 1.381(5) .
C3 H3 0.9500 .
C4 F1 1.287(5) .
C4 C5 1.368(6) .
C5 C6 1.364(6) .
C5 H5 0.9500 .
C6 C7 1.379(5) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C2' C7' 1.382(5) .
C2' C3' 1.382(5) .
C3' C4' 1.381(5) .
C3' H3' 0.9500 .
C4' C5' 1.368(6) .
C4' H4' 0.9500 .
C5' C6' 1.364(6) .
C5' H5' 0.9500 .
C6' F1' 1.183(7) .
C6' C7' 1.379(5) .
C7' H7' 0.9500 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C11 C12 1.524(5) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.521(4) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C13 1.508(7) 2_666
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C21 C22 1.387(4) .
C21 C26 1.395(4) .
C22 C23 1.388(4) .
C22 H22 0.9500 .
C23 C24 1.377(5) .
C23 H23 0.9500 .
C24 C25 1.378(5) .
C24 H24 0.9500 .
C25 C26 1.395(4) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C31 C32 1.393(4) .
C31 C36 1.394(4) .
C32 C33 1.374(5) .
C32 H32 0.9500 .
C33 C34 1.382(5) .
C33 H33 0.9500 .
C34 C35 1.373(5) .
C34 H34 0.9500 .
C35 C36 1.391(5) .
C35 H35 0.9500 .
C36 H36 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C2' N1 C1 O1 174.7(3) . . . .
C2 N1 C1 O1 174.7(3) . . . .
C2' N1 C1 S1 -6.6(5) . . . .
C2 N1 C1 S1 -6.6(5) . . . .
C8 O1 C1 N1 -2.5(5) . . . .
C8 O1 C1 S1 178.6(2) . . . .
Au S1 C1 N1 162.0(3) . . . .
Au S1 C1 O1 -19.2(3) . . . .
C1 N1 C2 C7 100.9(4) . . . .
C1 N1 C2 C3 -82.1(4) . . . .
C7 C2 C3 C4 -1.7(5) . . . .
N1 C2 C3 C4 -178.8(3) . . . .
C2 C3 C4 F1 174.7(4) . . . .
C2 C3 C4 C5 0.4(6) . . . .
F1 C4 C5 C6 -174.3(4) . . . .
C3 C4 C5 C6 0.5(6) . . . .
C4 C5 C6 C7 0.0(6) . . . .
C5 C6 C7 C2 -1.3(6) . . . .
C3 C2 C7 C6 2.1(5) . . . .
N1 C2 C7 C6 179.2(3) . . . .
C1 N1 C2' C7' 100.9(4) . . . .
C1 N1 C2' C3' -82.1(4) . . . .
C7' C2' C3' C4' -1.7(5) . . . .
N1 C2' C3' C4' -178.8(3) . . . .
C2' C3' C4' C5' 0.4(6) . . . .
C3' C4' C5' C6' 0.5(6) . . . .
C4' C5' C6' F1' 170.3(5) . . . .
C4' C5' C6' C7' 0.0(6) . . . .
F1' C6' C7' C2' -169.0(6) . . . .
C5' C6' C7' C2' -1.3(6) . . . .
C3' C2' C7' C6' 2.1(5) . . . .
N1 C2' C7' C6' 179.2(3) . . . .
C31 P1 C11 C12 177.8(2) . . . .
C21 P1 C11 C12 -70.2(2) . . . .
Au P1 C11 C12 51.5(2) . . . .
P1 C11 C12 C13 -173.2(2) . . . .
C11 C12 C13 C13 179.3(3) . . . 2_666
C31 P1 C21 C22 -133.7(3) . . . .
C11 P1 C21 C22 112.1(3) . . . .
Au P1 C21 C22 -9.2(3) . . . .
C31 P1 C21 C26 47.6(3) . . . .
C11 P1 C21 C26 -66.6(3) . . . .
Au P1 C21 C26 172.0(2) . . . .
C26 C21 C22 C23 1.2(5) . . . .
P1 C21 C22 C23 -177.6(3) . . . .
C21 C22 C23 C24 -0.5(6) . . . .
C22 C23 C24 C25 -0.7(6) . . . .
C23 C24 C25 C26 1.3(6) . . . .
C22 C21 C26 C25 -0.6(5) . . . .
P1 C21 C26 C25 178.2(2) . . . .
C24 C25 C26 C21 -0.6(5) . . . .
C21 P1 C31 C32 64.2(2) . . . .
C11 P1 C31 C32 176.2(2) . . . .
Au P1 C31 C32 -59.0(2) . . . .
C21 P1 C31 C36 -118.7(3) . . . .
C11 P1 C31 C36 -6.7(3) . . . .
Au P1 C31 C36 118.1(2) . . . .
C36 C31 C32 C33 0.6(4) . . . .
P1 C31 C32 C33 177.9(2) . . . .
C31 C32 C33 C34 -0.2(4) . . . .
C32 C33 C34 C35 -0.4(5) . . . .
C33 C34 C35 C36 0.5(5) . . . .
C34 C35 C36 C31 0.0(5) . . . .
C32 C31 C36 C35 -0.5(4) . . . .
P1 C31 C36 C35 -177.6(2) . . . .
