#------------------------------------------------------------------------------
#$Date: 2021-09-07 02:01:04 +0300 (Tue, 07 Sep 2021) $
#$Revision: 268982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/81/7708193.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_7708193
loop_
_publ_author_name
'Trevisan, Gianmarco'
'Vitali, Valentina'
'Tubaro, Cristina'
'Graiff, Claudia'
'Marchenko, Anatolyi'
'Koidan, Georgyi'
'Hurieva, Anastasiya'
'Kostyuk, Aleksandr'
'Mauceri, Matteo'
'Rizzolio, Flavio'
'Accorsi, Gianluca'
'Biffis, Andrea'
_publ_section_title
;
 Dinuclear gold(I) complexes with N-phosphanyl, N-heterocyclic carbene
 ligands: synthetic strategies, luminescence properties and anticancer
 activity
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT02444B
_journal_year                    2021
_chemical_formula_sum            'C34 H46.5 Au2 Cl F3 N4.5 O3 P S'
_chemical_formula_weight         1115.67
_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
_audit_update_record
;
2021-07-16 deposited with the CCDC.	2021-09-06 downloaded from the CCDC.
;
_cell_angle_alpha                109.804(3)
_cell_angle_beta                 103.208(4)
_cell_angle_gamma                90.001(4)
_cell_formula_units_Z            2
_cell_length_a                   11.823(3)
_cell_length_b                   14.089(4)
_cell_length_c                   14.374(4)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      5
_cell_volume                     2185.3(10)
_computing_cell_refinement       'APEX-II (2008)'
_computing_data_collection       'APEX-II (2008)'
_computing_data_reduction        'SAINT (2008)'
_computing_molecular_graphics    'Mercury CSD 3.5'
_computing_publication_material
'PARST M. Nardelli, J.Appl.Crystallogr.1995,28,659'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.1086
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13171
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.636
_diffrn_reflns_theta_min         1.542
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    6.899
_exptl_absorpt_correction_T_max  0.745665
_exptl_absorpt_correction_T_min  0.230718
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker APEX II SADABS, 2008'
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1078
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         8.788
_refine_diff_density_min         -2.745
_refine_diff_density_rms         0.334
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.893
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         13171
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.893
_refine_ls_R_factor_all          0.1160
_refine_ls_R_factor_gt           0.0753
_refine_ls_shift/su_max          0.231
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2063
_refine_ls_wR_factor_ref         0.2565
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8771
_reflns_number_total             13171
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02444b2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        2185.4(11)
_cod_original_formula_sum        'C34 H46.50 Au2 Cl F3 N4.50 O3 P S'
_cod_database_code               7708193
_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, -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
C1 C 0.7664(12) 0.3938(8) 0.5377(9) 0.038(2) Uani 1 1 d . . . . .
C2 C 0.7825(15) 0.2583(8) 0.5925(9) 0.044(3) Uani 1 1 d . . . . .
H2 H 0.782396 0.192178 0.591997 0.053 Uiso 1 1 calc R U . . .
C3 C 0.8032(14) 0.3410(9) 0.6747(9) 0.044(2) Uani 1 1 d . . . . .
H3 H 0.820873 0.343825 0.742122 0.053 Uiso 1 1 calc R U . . .
C4 C 0.6995(13) 0.6186(8) 0.3278(9) 0.040(2) Uani 1 1 d . . . . .
H4 H 0.685162 0.563158 0.267485 0.048 Uiso 1 1 calc R U . . .
C5 C 0.7420(17) 0.7112(9) 0.4906(9) 0.050(3) Uani 1 1 d . . . . .
H5 H 0.765001 0.729714 0.561132 0.060 Uiso 1 1 calc R U . . .
C6 C 0.7171(15) 0.7754(8) 0.4359(9) 0.049(3) Uani 1 1 d . . . . .
H6 H 0.714893 0.845211 0.462946 0.059 Uiso 1 1 calc R U . . .
C7 C 0.6671(13) 0.7544(7) 0.2492(9) 0.041(3) Uani 1 1 d . . . . .
C8 C 0.5510(13) 0.7596(10) 0.2063(11) 0.048(3) Uani 1 1 d . . . . .
C9 C 0.5242(15) 0.7925(12) 0.1282(13) 0.060(4) Uani 1 1 d . . . . .
H9 H 0.446342 0.798839 0.101491 0.073 Uiso 1 1 calc R U . . .
C10 C 0.6081(16) 0.8179(10) 0.0849(11) 0.055(4) Uani 1 1 d . . . . .
C11 C 0.7235(16) 0.8113(13) 0.1298(14) 0.066(5) Uani 1 1 d . . . . .
H11 H 0.781187 0.828586 0.102560 0.079 Uiso 1 1 calc R U . . .
C12 C 0.7582(14) 0.7797(12) 0.2153(13) 0.057(4) Uani 1 1 d . . . . .
C13 C 0.8822(15) 0.7768(18) 0.2637(15) 0.086(6) Uani 1 1 d . . . . .
H13A H 0.887367 0.753408 0.319836 0.128 Uiso 1 1 calc R U . . .
H13B H 0.918520 0.731552 0.214601 0.128 Uiso 1 1 calc R U . . .
H13C H 0.921195 0.843471 0.287967 0.128 Uiso 1 1 calc R U . . .
C14 C 0.578(2) 0.8576(15) -0.0032(13) 0.084(6) Uani 1 1 d . . . . .
H14A H 0.647602 0.870491 -0.021725 0.125 Uiso 1 1 calc R U . . .
H14B H 0.525871 0.808018 -0.060586 0.125 Uiso 1 1 calc R U . . .
H14C H 0.540262 0.919180 0.017140 0.125 Uiso 1 1 calc R U . . .
C15 C 0.4593(17) 0.7377(15) 0.2602(17) 0.091(6) Uani 1 1 d . . . . .
H15A H 0.497074 0.714679 0.314317 0.136 Uiso 1 1 calc R U . . .
H15B H 0.423082 0.798493 0.287809 0.136 Uiso 1 1 calc R U . . .
H15C H 0.400979 0.686363 0.211814 0.136 Uiso 1 1 calc R U . . .
C16 C 0.5988(14) 0.1272(11) 0.3594(11) 0.050(3) Uani 1 1 d . . . . .
C17 C 0.5449(14) 0.0777(14) 0.2481(14) 0.073(5) Uani 1 1 d . . . . .
H17A H 0.533655 0.128260 0.216572 0.109 Uiso 1 1 calc R U . . .
H17B H 0.595370 0.029999 0.217530 0.109 Uiso 1 1 calc R U . . .
H17C H 0.470937 0.043087 0.238705 0.109 Uiso 1 1 calc R U . . .
C18 C 0.504(2) 0.1985(16) 0.4045(16) 0.097(7) Uani 1 1 d . . . . .
H18A H 0.534050 0.232703 0.476445 0.146 Uiso 1 1 calc R U . . .
H18B H 0.488308 0.247609 0.371415 0.146 Uiso 1 1 calc R U . . .
H18C H 0.433543 0.158001 0.392643 0.146 Uiso 1 1 calc R U . . .
C19 C 0.613(2) 0.0406(17) 0.402(2) 0.110(10) Uani 1 1 d . . . . .
H19A H 0.647318 0.067562 0.474137 0.164 Uiso 1 1 calc R U . . .
H19B H 0.537716 0.006538 0.390150 0.164 Uiso 1 1 calc R U . . .
H19C H 0.662148 -0.006549 0.368976 0.164 Uiso 1 1 calc R U . . .
C20 C 0.8607(13) 0.1437(12) 0.3613(12) 0.053(4) Uani 1 1 d . . . . .
C21 C 0.8463(17) 0.0840(15) 0.2522(13) 0.076(5) Uani 1 1 d . . . . .
H21A H 0.820154 0.125868 0.212284 0.114 Uiso 1 1 calc R U . . .
H21B H 0.919615 0.059743 0.240819 0.114 Uiso 1 1 calc R U . . .
H21C H 0.789773 0.027468 0.232556 0.114 Uiso 1 1 calc R U . . .
C22 C 0.9560(15) 0.2297(17) 0.386(2) 0.106(8) Uani 1 1 d . . . . .
H22A H 0.930310 0.270446 0.344707 0.160 Uiso 1 1 calc R U . . .
H22B H 0.970205 0.271106 0.456717 0.160 Uiso 1 1 calc R U . . .
H22C H 1.026539 0.201112 0.371944 0.160 Uiso 1 1 calc R U . . .
C23 C 0.902(2) 0.080(2) 0.4264(19) 0.115(10) Uani 1 1 d . . . . .
H23A H 0.910463 0.120586 0.496879 0.172 Uiso 1 1 calc R U . . .
H23B H 0.845552 0.023716 0.407821 0.172 Uiso 1 1 calc R U . . .
H23C H 0.975394 0.055992 0.416084 0.172 Uiso 1 1 calc R U . . .
C24 C 0.8146(15) 0.5292(8) 0.7029(9) 0.045(3) Uani 1 1 d . . . . .
C25 C 0.9265(13) 0.5696(11) 0.7405(11) 0.052(4) Uani 1 1 d . . . . .
C26 C 0.952(2) 0.6733(14) 0.8055(13) 0.075(5) Uani 1 1 d . . . . .
H26 H 1.029240 0.701249 0.831498 0.090 Uiso 1 1 calc R U . . .
C27 C 0.866(3) 0.7291(11) 0.8281(12) 0.084(8) Uani 1 1 d . . . . .
C28 C 0.7523(19) 0.6878(12) 0.7864(13) 0.079(6) Uani 1 1 d . . . . .
H28 H 0.692857 0.730216 0.798118 0.095 Uiso 1 1 calc R U . . .
C29 C 0.7200(15) 0.5806(12) 0.7246(12) 0.055(4) Uani 1 1 d . . . . .
C30 C 0.5981(15) 0.5377(16) 0.6851(15) 0.087(6) Uani 1 1 d . . . . .
H30A H 0.547988 0.588357 0.711095 0.130 Uiso 1 1 calc R U . . .
H30B H 0.578402 0.515419 0.611966 0.130 Uiso 1 1 calc R U . . .
H30C H 0.588254 0.481150 0.706319 0.130 Uiso 1 1 calc R U . . .
C31 C 1.034(2) 0.5095(18) 0.7122(19) 0.104(7) Uani 1 1 d . . . . .
H31A H 1.105187 0.552517 0.747332 0.156 Uiso 1 1 calc R U . . .
H31B H 1.036886 0.450913 0.732212 0.156 Uiso 1 1 calc R U . . .
H31C H 1.026572 0.488646 0.640009 0.156 Uiso 1 1 calc R U . . .
C32 C 0.886(2) 0.8426(11) 0.8971(15) 0.086(6) Uani 1 1 d . . . . .
H32A H 0.812445 0.868927 0.903914 0.129 Uiso 1 1 calc R U . . .
H32B H 0.933561 0.849047 0.963104 0.129 Uiso 1 1 calc R U . . .
H32C H 0.924958 0.879879 0.866819 0.129 Uiso 1 1 calc R U . . .
C33 C 0.8313(19) 1.0971(11) 0.8212(15) 0.075(5) Uani 1 1 d . . . . .
Au1 Au 0.74495(5) 0.49220(3) 0.46733(3) 0.03444(13) Uani 1 1 d . . . . .
Au2 Au 0.68900(5) 0.30220(3) 0.27556(3) 0.03853(14) Uani 1 1 d . . . . .
Cl Cl 0.6472(5) 0.3748(2) 0.1527(2) 0.0639(10) Uani 1 1 d . . . . .
F1 F 0.7665(16) 1.0811(14) 0.8778(10) 0.132(6) Uani 1 1 d . . . . .
F2 F 0.9406(12) 1.0819(9) 0.8623(10) 0.103(4) Uani 1 1 d . . . . .
F3 F 0.8364(17) 1.1968(7) 0.8344(11) 0.122(5) Uani 1 1 d . . . . .
N1 N 0.7602(10) 0.2876(7) 0.5044(7) 0.039(2) Uani 1 1 d . . . . .
N2 N 0.7932(10) 0.4236(7) 0.6407(7) 0.0388(19) Uani 1 1 d . . . . .
N3 N 0.7263(12) 0.6145(7) 0.4206(7) 0.043(2) Uani 1 1 d . . . . .
N4 N 0.6962(11) 0.7183(6) 0.3353(7) 0.042(2) Uani 1 1 d . . . . .
O1 O 0.7971(16) 0.9186(7) 0.6894(9) 0.072(3) Uani 1 1 d . . . . .
O2 O 0.6690(11) 1.0429(11) 0.6603(11) 0.083(4) Uani 1 1 d . . . . .
O3 O 0.8708(12) 1.0544(12) 0.6435(11) 0.084(4) Uani 1 1 d . . . . .
P P 0.7266(3) 0.2103(2) 0.3777(2) 0.0381(6) Uani 1 1 d . . . . .
S S 0.7882(4) 1.0200(3) 0.6901(3) 0.0514(8) 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'
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'
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
_geom_angle_publ_flag
N2 C1 N1 104.7(9) . . ?
N2 C1 Au1 121.6(8) . . ?
N1 C1 Au1 133.8(9) . . ?
C3 C2 N1 108.7(9) . . ?
C3 C2 H2 125.7 . . ?
N1 C2 H2 125.7 . . ?
C2 C3 N2 106.7(10) . . ?
C2 C3 H3 126.6 . . ?
N2 C3 H3 126.6 . . ?
N3 C4 N4 108.6(10) . . ?
N3 C4 H4 125.7 . . ?
N4 C4 H4 125.7 . . ?
N3 C5 C6 106.6(10) . . ?
N3 C5 H5 126.7 . . ?
C6 C5 H5 126.7 . . ?
N4 C6 C5 107.7(10) . . ?
N4 C6 H6 126.2 . . ?
C5 C6 H6 126.2 . . ?
C8 C7 C12 124.2(12) . . ?
C8 C7 N4 118.7(12) . . ?
C12 C7 N4 117.1(13) . . ?
C9 C8 C7 118.9(14) . . ?
C9 C8 C15 123.2(15) . . ?
C7 C8 C15 117.6(13) . . ?
C8 C9 C10 122.5(15) . . ?
C8 C9 H9 118.7 . . ?
C10 C9 H9 118.7 . . ?
C9 C10 C11 116.7(13) . . ?
C9 C10 C14 122.5(16) . . ?
C11 C10 C14 120.6(16) . . ?
C12 C11 C10 123.5(15) . . ?
C12 C11 H11 118.2 . . ?
C10 C11 H11 118.3 . . ?
C11 C12 C7 114.1(15) . . ?
C11 C12 C13 122.2(14) . . ?
C7 C12 C13 123.7(14) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C8 C15 H15A 109.5 . . ?
C8 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C8 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C19 105.3(15) . . ?
C17 C16 C18 105.5(14) . . ?
C19 C16 C18 109.5(17) . . ?
C17 C16 P 109.5(12) . . ?
C19 C16 P 119.4(12) . . ?
C18 C16 P 106.8(10) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.4 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C23 C20 C21 111.0(16) . . ?
C23 C20 C22 109.1(17) . . ?
C21 C20 C22 105.4(16) . . ?
C23 C20 P 117.6(13) . . ?
C21 C20 P 108.7(11) . . ?
C22 C20 P 104.2(11) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.4 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C24 C25 124.3(12) . . ?
C29 C24 N2 117.4(14) . . ?
C25 C24 N2 118.2(14) . . ?
C24 C25 C26 120.2(17) . . ?
C24 C25 C31 123.5(14) . . ?
C26 C25 C31 116.2(16) . . ?
C27 C26 C25 119.3(19) . . ?
C27 C26 H26 120.4 . . ?
C25 C26 H26 120.3 . . ?
C26 C27 C28 119.8(14) . . ?
C26 C27 C32 123(2) . . ?
C28 C27 C32 117(2) . . ?
C27 C28 C29 123.5(15) . . ?
C27 C28 H28 118.3 . . ?
C29 C28 H28 118.3 . . ?
C24 C29 C28 112.4(15) . . ?
C24 C29 C30 125.1(14) . . ?
C28 C29 C30 122.3(16) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C25 C31 H31A 109.5 . . ?
C25 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C25 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.4 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
F1 C33 F2 106.4(18) . . ?
F1 C33 F3 108.4(18) . . ?
F2 C33 F3 104.1(16) . . ?
F1 C33 S 114.9(14) . . ?
F2 C33 S 110.4(14) . . ?
F3 C33 S 111.9(14) . . ?
C1 Au1 N3 169.3(4) . . ?
C1 Au1 Au2 83.4(4) . . ?
N3 Au1 Au2 107.2(3) . . ?
P Au2 Cl 171.96(12) . . ?
P Au2 Au1 87.90(8) . . ?
Cl Au2 Au1 100.12(9) . . ?
C1 N1 C2 107.9(9) . . ?
C1 N1 P 123.9(8) . . ?
C2 N1 P 128.2(7) . . ?
C1 N2 C3 112.0(9) . . ?
C1 N2 C24 121.0(9) . . ?
C3 N2 C24 126.9(10) . . ?
C5 N3 C4 109.3(9) . . ?
C5 N3 Au1 120.6(7) . . ?
C4 N3 Au1 130.1(7) . . ?
C6 N4 C4 107.6(9) . . ?
C6 N4 C7 126.9(9) . . ?
C4 N4 C7 125.4(9) . . ?
N1 P C16 106.2(6) . . ?
N1 P C20 104.2(7) . . ?
C16 P C20 114.2(7) . . ?
N1 P Au2 110.9(3) . . ?
C16 P Au2 110.9(5) . . ?
C20 P Au2 110.0(5) . . ?
O1 S O2 112.9(10) . . ?
O1 S O3 114.9(10) . . ?
O2 S O3 115.4(8) . . ?
O1 S C33 104.6(7) . . ?
O2 S C33 102.7(10) . . ?
O3 S C33 104.3(10) . . ?
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
C1 N2 1.354(15) . ?
C1 N1 1.405(14) . ?
C1 Au1 1.960(10) . ?
C2 C3 1.323(16) . ?
C2 N1 1.429(13) . ?
C2 H2 0.9300 . ?
C3 N2 1.402(14) . ?
C3 H3 0.9300 . ?
C4 N3 1.318(14) . ?
C4 N4 1.373(13) . ?
C4 H4 0.9300 . ?
C5 N3 1.374(15) . ?
C5 C6 1.378(15) . ?
C5 H5 0.9300 . ?
C6 N4 1.360(15) . ?
C6 H6 0.9300 . ?
C7 C8 1.38(2) . ?
C7 C12 1.371(19) . ?
C7 N4 1.464(14) . ?
C8 C9 1.329(19) . ?
C8 C15 1.56(2) . ?
C9 C10 1.39(2) . ?
C9 H9 0.9300 . ?
C10 C11 1.39(2) . ?
C10 C14 1.52(2) . ?
C11 C12 1.42(2) . ?
C11 H11 0.9300 . ?
C12 C13 1.48(2) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.49(2) . ?
C16 C19 1.54(2) . ?
C16 C18 1.60(3) . ?
C16 P 1.826(16) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C23 1.51(2) . ?
C20 C21 1.48(2) . ?
C20 C22 1.55(2) . ?
C20 P 1.864(13) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C29 1.37(2) . ?
C24 C25 1.35(2) . ?
C24 N2 1.439(14) . ?
C25 C26 1.43(2) . ?
C25 C31 1.59(3) . ?
C26 C27 1.32(3) . ?
C26 H26 0.9300 . ?
C27 C28 1.38(3) . ?
C27 C32 1.55(2) . ?
C28 C29 1.47(2) . ?
C28 H28 0.9300 . ?
C29 C30 1.47(2) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 F1 1.31(3) . ?
C33 F2 1.34(2) . ?
C33 F3 1.352(19) . ?
C33 S 1.779(18) . ?
Au1 N3 2.047(9) . ?
Au1 Au2 3.0609(8) . ?
Au2 P 2.240(3) . ?
Au2 Cl 2.288(3) . ?
N1 P 1.728(10) . ?
O1 S 1.429(11) . ?
O2 S 1.445(13) . ?
O3 S 1.468(12) . ?
