#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:23:20 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257813 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/93/7059387.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_7059387
loop_
_publ_author_name
'Baron, Marco'
'Dall’Anese, Anna'
'Miolato, Alessandro'
'Cairoli, Maddalena L. C.'
'Di Marco, Valerio'
'Graiff, Claudia'
'Pöthig, Alexander'
'Tubaro, Cristina'
_publ_section_title
;
 New homoleptic gold carbene complexes via Ag--Au transmetalation:
 synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis
 halide sensors
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5343
_journal_page_last               5353
_journal_paper_doi               10.1039/C9NJ05809E
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C65 H106 Au4 Cl10 F24 N16 P4'
_chemical_formula_weight         2833.90
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-11-11 deposited with the CCDC.	2020-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.341(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.2720(13)
_cell_length_b                   18.403(2)
_cell_length_c                   20.5222(19)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      5
_cell_volume                     5116.3(9)
_computing_cell_refinement       'APEX-3 (2015)'
_computing_data_collection       'APEX-3 (2015)'
_computing_data_reduction        'SAINT (2015)'
_computing_molecular_graphics    'Mercury CSD 3.10.1'
_computing_publication_material
'PARST M. Nardelli, J.Appl.Crystallogr.1995,28,659'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2015)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_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_R_equivalents  0.1763
_diffrn_reflns_av_unetI/netI     0.0896
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            126439
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.480
_diffrn_reflns_theta_min         2.091
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    6.129
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.0717
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker APEX II SADABS'
_exptl_crystal_density_diffrn    1.839
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2740
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.757
_refine_diff_density_min         -2.711
_refine_diff_density_rms         0.239
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         10515
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.1408
_refine_ls_R_factor_gt           0.0966
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1249P)²+57.2513P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2250
_refine_ls_wR_factor_ref         0.2553
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7043
_reflns_number_total             10515
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj05809e2.cif
_cod_data_source_block           '[Au2L52](PF6)2'
_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 

 Adding full bibliography for 7059387--7059393.cif.

 Adding full bibliography for 7059387--7059393.cif.
;
_cod_original_cell_volume        5116.4(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7059387
_shelx_shelxl_version_number     2014/7
_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C1 C 0.3593(9) 0.6539(10) 0.4595(7) 0.054(4) Uani 1 1 d . . . . .
C2 C 0.5097(11) 0.6080(10) 0.4813(9) 0.068(5) Uani 1 1 d . . . . .
H2 H 0.5748 0.5957 0.5047 0.081 Uiso 1 1 calc R U . . .
C3 C 0.4604(11) 0.5924(11) 0.4140(8) 0.070(5) Uani 1 1 d . . . . .
H3 H 0.4838 0.5668 0.3833 0.084 Uiso 1 1 calc R U . . .
C4 C 0.2923(10) 0.6191(9) 0.3366(7) 0.055(4) Uani 1 1 d . . . . .
H4A H 0.2307 0.6041 0.3431 0.066 Uiso 1 1 calc R U . . .
H4B H 0.3101 0.5833 0.3078 0.066 Uiso 1 1 calc R U . . .
C5 C 0.3541(12) 0.7277(12) 0.2903(9) 0.072(5) Uani 1 1 d . . . . .
H5 H 0.4196 0.7131 0.3007 0.087 Uiso 1 1 calc R U . . .
C6 C 0.3162(13) 0.7876(14) 0.2610(11) 0.095(7) Uani 1 1 d . . . . .
H6 H 0.3501 0.8234 0.2456 0.114 Uiso 1 1 calc R U . . .
C7 C 0.1947(9) 0.7269(9) 0.2821(6) 0.052(4) Uani 1 1 d . . . . .
C8 C 0.4733(12) 0.6695(15) 0.5802(8) 0.087(7) Uani 1 1 d . . . . .
C9 C 0.4712(18) 0.7545(17) 0.5784(14) 0.130(10) Uani 1 1 d . . . . .
H9A H 0.5065 0.7732 0.6231 0.195 Uiso 1 1 calc R U . . .
H9B H 0.4040 0.7710 0.5652 0.195 Uiso 1 1 calc R U . . .
H9C H 0.5017 0.7715 0.5457 0.195 Uiso 1 1 calc R U . . .
C10 C 0.4026(16) 0.634(2) 0.6109(11) 0.138(13) Uani 1 1 d . . . . .
H10A H 0.3380 0.6547 0.5909 0.207 Uiso 1 1 calc R U . . .
H10B H 0.4241 0.6423 0.6596 0.207 Uiso 1 1 calc R U . . .
H10C H 0.4003 0.5829 0.6019 0.207 Uiso 1 1 calc R U . . .
C11 C 0.5786(12) 0.6426(17) 0.6169(10) 0.108(9) Uani 1 1 d . . . . .
H11A H 0.5764 0.5929 0.6305 0.161 Uiso 1 1 calc R U . . .
H11B H 0.6078 0.6719 0.6569 0.161 Uiso 1 1 calc R U . . .
H11C H 0.6173 0.6462 0.5864 0.161 Uiso 1 1 calc R U . . .
C12 C 0.1466(14) 0.8484(12) 0.2205(10) 0.083(6) Uani 1 1 d . . . . .
C13 C 0.078(2) 0.8674(15) 0.2553(14) 0.135(11) Uani 1 1 d . . . . .
H13A H 0.0437 0.9108 0.2355 0.203 Uiso 1 1 calc R U . . .
H13B H 0.1131 0.8756 0.3030 0.203 Uiso 1 1 calc R U . . .
H13C H 0.0317 0.8285 0.2510 0.203 Uiso 1 1 calc R U . . .
C14 C 0.083(3) 0.816(2) 0.1516(13) 0.173(17) Uani 1 1 d . . . . .
H14A H 0.0174 0.8071 0.1532 0.259 Uiso 1 1 calc R U . . .
H14B H 0.1115 0.7708 0.1436 0.259 Uiso 1 1 calc R U . . .
H14C H 0.0803 0.8492 0.1151 0.259 Uiso 1 1 calc R U . . .
C15 C 0.193(3) 0.906(2) 0.197(3) 0.29(4) Uani 1 1 d . . . . .
H15A H 0.1444 0.9358 0.1660 0.438 Uiso 1 1 calc R U . . .
H15B H 0.2368 0.8863 0.1742 0.438 Uiso 1 1 calc R U . . .
H15C H 0.2308 0.9345 0.2357 0.438 Uiso 1 1 calc R U . . .
C16 C 0.1038(9) 0.7424(9) 0.4721(6) 0.051(4) Uani 1 1 d . . . . .
C17 C -0.0120(15) 0.8049(13) 0.4973(11) 0.089(7) Uani 1 1 d . . . . .
H17 H -0.0430 0.8421 0.5133 0.107 Uiso 1 1 calc R U . . .
C18 C -0.0522(11) 0.7414(13) 0.4726(9) 0.076(6) Uani 1 1 d . . . . .
H18 H -0.1166 0.7265 0.4668 0.091 Uiso 1 1 calc R U . . .
C19 C 0.0107(10) 0.6283(9) 0.4300(7) 0.053(4) Uani 1 1 d . . . . .
H19A H 0.0721 0.6129 0.4234 0.064 Uiso 1 1 calc R U . . .
H19B H -0.0043 0.5952 0.4621 0.064 Uiso 1 1 calc R U . . .
C20 C -0.1617(11) 0.6009(11) 0.3560(8) 0.068(5) Uani 1 1 d . . . . .
H20 H -0.1848 0.5820 0.3900 0.081 Uiso 1 1 calc R U . . .
C21 C -0.2129(10) 0.6080(10) 0.2907(8) 0.066(4) Uani 1 1 d . . . . .
H21 H -0.2794 0.5969 0.2708 0.080 Uiso 1 1 calc R U . . .
C22 C -0.0606(10) 0.6485(10) 0.3035(7) 0.060(4) Uani 1 1 d . . . . .
C23 C 0.1507(16) 0.8696(12) 0.5214(11) 0.087(6) Uani 1 1 d . . . . .
C24 C 0.204(3) 0.8837(19) 0.4730(19) 0.175(16) Uani 1 1 d . . . . .
H24A H 0.2509 0.9220 0.4903 0.262 Uiso 1 1 calc R U . . .
H24B H 0.1583 0.8980 0.4297 0.262 Uiso 1 1 calc R U . . .
H24C H 0.2381 0.8405 0.4671 0.262 Uiso 1 1 calc R U . . .
C25 C 0.2229(18) 0.8477(16) 0.5880(15) 0.138(11) Uani 1 1 d . . . . .
H25A H 0.1907 0.8464 0.6226 0.206 Uiso 1 1 calc R U . . .
H25B H 0.2761 0.8821 0.6009 0.206 Uiso 1 1 calc R U . . .
H25C H 0.2486 0.8003 0.5836 0.206 Uiso 1 1 calc R U . . .
C26 C 0.094(2) 0.9373(15) 0.5274(16) 0.148(12) Uani 1 1 d . . . . .
H26A H 0.1329 0.9795 0.5263 0.222 Uiso 1 1 calc R U . . .
H26B H 0.0791 0.9362 0.5699 0.222 Uiso 1 1 calc R U . . .
H26C H 0.0334 0.9392 0.4898 0.222 Uiso 1 1 calc R U . . .
C27 C -0.1798(11) 0.6493(13) 0.1816(8) 0.075(6) Uani 1 1 d . . . . .
C28 C -0.174(3) 0.7266(18) 0.1684(16) 0.170(15) Uani 1 1 d . . . . .
H28A H -0.2088 0.7535 0.1935 0.254 Uiso 1 1 calc R U . . .
H28B H -0.2030 0.7358 0.1202 0.254 Uiso 1 1 calc R U . . .
H28C H -0.1059 0.7415 0.1827 0.254 Uiso 1 1 calc R U . . .
C29 C -0.2856(16) 0.629(2) 0.1495(12) 0.162(16) Uani 1 1 d . . . . .
H29A H -0.2918 0.5770 0.1486 0.244 Uiso 1 1 calc R U . . .
H29B H -0.3087 0.6474 0.1034 0.244 Uiso 1 1 calc R U . . .
H29C H -0.3242 0.6493 0.1757 0.244 Uiso 1 1 calc R U . . .
C30 C -0.108(2) 0.612(3) 0.1582(11) 0.190(19) Uani 1 1 d . . . . .
H30A H -0.0440 0.6323 0.1795 0.285 Uiso 1 1 calc R U . . .
H30B H -0.1253 0.6164 0.1092 0.285 Uiso 1 1 calc R U . . .
H30C H -0.1074 0.5612 0.1701 0.285 Uiso 1 1 calc R U . . .
N1 N 0.4472(8) 0.6448(8) 0.5081(6) 0.058(3) Uani 1 1 d . . . . .
N2 N 0.3685(8) 0.6231(7) 0.4019(6) 0.053(3) Uani 1 1 d . . . . .
N3 N 0.2798(8) 0.6904(8) 0.3030(6) 0.061(4) Uani 1 1 d . . . . .
N4 N 0.2165(9) 0.7903(8) 0.2560(7) 0.066(4) Uani 1 1 d . . . . .
N5 N -0.1507(7) 0.6344(7) 0.2574(6) 0.053(3) Uani 1 1 d . . . . .
N6 N -0.0678(8) 0.6266(7) 0.3651(6) 0.053(3) Uani 1 1 d . . . . .
N7 N 0.0211(8) 0.7017(8) 0.4573(6) 0.056(3) Uani 1 1 d . . . . .
N8 N 0.0811(9) 0.8060(8) 0.4951(7) 0.063(4) Uani 1 1 d . . . . .
F1 F 0.9117(13) 0.5748(14) 0.5419(10) 0.202(10) Uani 1 1 d . . . . .
F2 F 0.8812(15) 0.4983(12) 0.6138(7) 0.178(9) Uani 1 1 d . . . . .
F3 F 0.8286(17) 0.6079(11) 0.6116(9) 0.180(8) Uani 1 1 d . . . . .
F4 F 0.7243(11) 0.5264(12) 0.5722(12) 0.189(9) Uani 1 1 d . . . . .
F5 F 0.7558(15) 0.5969(12) 0.4981(10) 0.179(8) Uani 1 1 d . . . . .
F6 F 0.8217(15) 0.4876(11) 0.5026(8) 0.179(9) Uani 1 1 d . . . . .
F7 F 0.5585(15) 0.5370(17) 0.2894(10) 0.223(12) Uani 1 1 d . . . . .
F8 F 0.4181(15) 0.4997(19) 0.2636(12) 0.249(15) Uani 1 1 d . . . . .
F9 F 0.439(3) 0.5930(13) 0.2267(14) 0.287(19) Uani 1 1 d . . . . .
F10 F 0.3968(15) 0.5050(13) 0.1512(8) 0.183(9) Uani 1 1 d . . . . .
F11 F 0.540(2) 0.549(2) 0.1814(14) 0.32(2) Uani 1 1 d . . . . .
F12 F 0.523(2) 0.4486(15) 0.2184(13) 0.264(17) Uani 1 1 d . . . . .
P1 P 0.8221(3) 0.5489(3) 0.5575(2) 0.0694(12) Uani 1 1 d . . . . .
P2 P 0.4797(4) 0.5197(4) 0.2197(3) 0.0843(16) Uani 1 1 d . . . . .
Au1 Au 0.23314(4) 0.70178(3) 0.46429(3) 0.0503(2) Uani 1 1 d . . . . .
Au2 Au 0.06553(4) 0.68949(4) 0.29241(3) 0.0504(2) Uani 1 1 d . . . . .
C31 C 0.1869(13) 0.4292(8) 0.2299(10) 0.128(9) Uiso 1 1 d D . . . .
H31A H 0.1921 0.4120 0.2756 0.153 Uiso 1 1 calc R U . . .
H31B H 0.2528 0.4415 0.2296 0.153 Uiso 1 1 calc R U . . .
Cl1 Cl 0.1143(7) 0.5066(5) 0.2126(5) 0.154(3) Uiso 1 1 d D . . . .
Cl2 Cl 0.1408(9) 0.3599(5) 0.1716(6) 0.210(5) Uiso 1 1 d D . . . .
C32 C 0.614(4) 0.8166(19) 0.3809(11) 0.29(3) Uiso 1 1 d D . . . .
H32A H 0.6342 0.8637 0.3687 0.351 Uiso 1 1 calc R U . . .
H32B H 0.5472 0.8211 0.3826 0.351 Uiso 1 1 calc R U . . .
Cl3 Cl 0.6153(16) 0.7544(14) 0.3179(8) 0.336(10) Uiso 1 1 d D . . . .
Cl4 Cl 0.6911(16) 0.7927(11) 0.4614(8) 0.310(9) Uiso 1 1 d D . . . .
C33 C 0.404(3) 0.984(3) 0.477(5) 0.25(5) Uiso 0.5 1 d D . P A -1
H33A H 0.3490 1.0057 0.4419 0.298 Uiso 0.5 1 calc R U P A -1
H33B H 0.3829 0.9748 0.5168 0.298 Uiso 0.5 1 calc R U P A -1
Cl5 Cl 0.436(2) 0.9032(16) 0.4472(17) 0.278(15) Uiso 0.5 1 d D . P A -1
Cl6 Cl 0.500(3) 1.0466(16) 0.500(2) 0.305(17) Uiso 0.5 1 d D . P A -1
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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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
N1 C1 N2 105.7(11) . . ?
N1 C1 Au1 130.7(10) . . ?
N2 C1 Au1 123.6(9) . . ?
N1 C2 C3 108.5(13) . . ?
N1 C2 H2 125.8 . . ?
C3 C2 H2 125.8 . . ?
C2 C3 N2 104.7(14) . . ?
C2 C3 H3 127.6 . . ?
N2 C3 H3 127.6 . . ?
N2 C4 N3 109.7(13) . . ?
N2 C4 H4A 109.7 . . ?
N3 C4 H4A 109.7 . . ?
N2 C4 H4B 109.7 . . ?
N3 C4 H4B 109.7 . . ?
H4A C4 H4B 108.2 . . ?
C6 C5 N3 106.5(15) . . ?
C6 C5 H5 126.8 . . ?
N3 C5 H5 126.8 . . ?
C5 C6 N4 109.5(16) . . ?
C5 C6 H6 125.2 . . ?
N4 C6 H6 125.2 . . ?
N3 C7 N4 105.1(12) . . ?
N3 C7 Au2 123.9(12) . . ?
N4 C7 Au2 131.0(11) . . ?
N1 C8 C10 107.3(19) . . ?
N1 C8 C11 106.9(15) . . ?
C10 C8 C11 109.9(19) . . ?
N1 C8 C9 106.6(17) . . ?
C10 C8 C9 116(2) . . ?
C11 C8 C9 110(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C15 117(3) . . ?
C13 C12 N4 113.0(16) . . ?
C15 C12 N4 113(2) . . ?
C13 C12 C14 105(2) . . ?
C15 C12 C14 101(3) . . ?
N4 C12 C14 106(2) . . ?
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 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N8 C16 N7 105.9(12) . . ?
N8 C16 Au1 132.2(11) . . ?
N7 C16 Au1 121.8(11) . . ?
C18 C17 N8 108.2(15) . . ?
C18 C17 H17 125.9 . . ?
N8 C17 H17 125.9 . . ?
C17 C18 N7 106.4(15) . . ?
C17 C18 H18 126.8 . . ?
N7 C18 H18 126.8 . . ?
N6 C19 N7 109.4(12) . . ?
N6 C19 H19A 109.8 . . ?
N7 C19 H19A 109.8 . . ?
N6 C19 H19B 109.8 . . ?
N7 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
C21 C20 N6 108.1(13) . . ?
C21 C20 H20 125.9 . . ?
N6 C20 H20 125.9 . . ?
C20 C21 N5 107.7(13) . . ?
C20 C21 H21 126.2 . . ?
N5 C21 H21 126.2 . . ?
N5 C22 N6 105.0(12) . . ?
N5 C22 Au2 132.1(10) . . ?
N6 C22 Au2 122.9(10) . . ?
C24 C23 C25 109(3) . . ?
C24 C23 N8 108.7(19) . . ?
C25 C23 N8 107.7(19) . . ?
C24 C23 C26 109(3) . . ?
C25 C23 C26 112(2) . . ?
N8 C23 C26 110.8(18) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C30 C27 C28 109(3) . . ?
C30 C27 C29 117(3) . . ?
C28 C27 C29 106(2) . . ?
C30 C27 N5 105.4(16) . . ?
C28 C27 N5 111(2) . . ?
C29 C27 N5 108.9(14) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C1 N1 C2 109.8(12) . . ?
C1 N1 C8 125.8(12) . . ?
C2 N1 C8 124.4(13) . . ?
C1 N2 C3 111.3(12) . . ?
C1 N2 C4 125.7(11) . . ?
C3 N2 C4 123.0(12) . . ?
C7 N3 C5 111.8(15) . . ?
C7 N3 C4 124.4(12) . . ?
C5 N3 C4 123.8(13) . . ?
C7 N4 C6 107.1(14) . . ?
C7 N4 C12 127.4(13) . . ?
C6 N4 C12 125.0(15) . . ?
C22 N5 C21 109.9(12) . . ?
C22 N5 C27 125.3(12) . . ?
C21 N5 C27 124.8(12) . . ?
C22 N6 C20 109.2(12) . . ?
C22 N6 C19 125.8(12) . . ?
C20 N6 C19 125.0(12) . . ?
C16 N7 C18 108.9(15) . . ?
C16 N7 C19 125.4(11) . . ?
C18 N7 C19 125.7(14) . . ?
C16 N8 C17 110.5(15) . . ?
C16 N8 C23 126.5(13) . . ?
C17 N8 C23 122.9(15) . . ?
F1 P1 F2 92.9(13) . . ?
F1 P1 F3 94.0(12) . . ?
F2 P1 F3 89.4(11) . . ?
F1 P1 F5 90.1(12) . . ?
F2 P1 F5 176.1(14) . . ?
F3 P1 F5 92.8(12) . . ?
F1 P1 F4 176.3(13) . . ?
F2 P1 F4 90.4(11) . . ?
F3 P1 F4 84.4(12) . . ?
F5 P1 F4 86.7(11) . . ?
F1 P1 F6 83.5(13) . . ?
F2 P1 F6 89.0(9) . . ?
F3 P1 F6 176.9(12) . . ?
F5 P1 F6 89.0(10) . . ?
F4 P1 F6 98.3(14) . . ?
F11 P2 F12 90(2) . . ?
F11 P2 F8 172(2) . . ?
F12 P2 F8 97(2) . . ?
F11 P2 F9 92(2) . . ?
F12 P2 F9 175.7(15) . . ?
F8 P2 F9 80.8(18) . . ?
F11 P2 F7 92.4(15) . . ?
F12 P2 F7 90.8(15) . . ?
F8 P2 F7 83.5(12) . . ?
F9 P2 F7 85.3(16) . . ?
F11 P2 F10 89.4(15) . . ?
F12 P2 F10 91.9(12) . . ?
F8 P2 F10 94.5(13) . . ?
F9 P2 F10 91.9(14) . . ?
F7 P2 F10 176.8(14) . . ?
C1 Au1 C16 175.5(7) . . ?
C22 Au2 C7 177.8(7) . . ?
Cl1 C31 Cl2 113.0(5) . . ?
Cl1 C31 H31A 109.0 . . ?
Cl2 C31 H31A 109.0 . . ?
Cl1 C31 H31B 109.0 . . ?
Cl2 C31 H31B 109.0 . . ?
H31A C31 H31B 107.8 . . ?
Cl4 C32 Cl3 113.2(5) . . ?
Cl4 C32 H32A 108.9 . . ?
Cl3 C32 H32A 108.9 . . ?
Cl4 C32 H32B 109.0 . . ?
Cl3 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
Cl6 C33 Cl5 113.4(5) . . ?
Cl6 C33 H33A 108.9 . . ?
Cl5 C33 H33A 108.9 . . ?
Cl6 C33 H33B 108.9 . . ?
Cl5 C33 H33B 108.9 . . ?
H33A C33 H33B 107.7 . . ?
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 N1 1.346(17) . ?
C1 N2 1.354(17) . ?
C1 Au1 2.034(12) . ?
C2 N1 1.366(19) . ?
C2 C3 1.37(2) . ?
C2 H2 0.9300 . ?
C3 N2 1.377(17) . ?
C3 H3 0.9300 . ?
C4 N2 1.438(17) . ?
C4 N3 1.47(2) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.29(3) . ?
C5 N3 1.36(2) . ?
C5 H5 0.9300 . ?
C6 N4 1.39(2) . ?
C6 H6 0.9300 . ?
C7 N3 1.335(18) . ?
C7 N4 1.36(2) . ?
C7 Au2 2.041(13) . ?
C8 N1 1.48(2) . ?
C8 C10 1.50(3) . ?
C8 C11 1.53(2) . ?
C8 C9 1.57(4) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.42(3) . ?
C12 C15 1.41(3) . ?
C12 N4 1.49(2) . ?
C12 C14 1.54(4) . ?
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 N8 1.339(19) . ?
C16 N7 1.349(19) . ?
C16 Au1 2.045(12) . ?
C17 C18 1.33(3) . ?
C17 N8 1.34(2) . ?
C17 H17 0.9300 . ?
C18 N7 1.391(18) . ?
C18 H18 0.9300 . ?
C19 N6 1.445(17) . ?
C19 N7 1.45(2) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.31(2) . ?
C20 N6 1.376(18) . ?
C20 H20 0.9300 . ?
C21 N5 1.369(18) . ?
C21 H21 0.9300 . ?
C22 N5 1.360(18) . ?
C22 N6 1.361(17) . ?
C22 Au2 2.031(14) . ?
C23 C24 1.45(3) . ?
C23 C25 1.49(3) . ?
C23 N8 1.52(3) . ?
C23 C26 1.51(3) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C30 1.44(4) . ?
C27 C28 1.46(4) . ?
C27 C29 1.49(3) . ?
C27 N5 1.504(19) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
F1 P1 1.491(13) . ?
F2 P1 1.517(14) . ?
F3 P1 1.535(16) . ?
F4 P1 1.574(15) . ?
F5 P1 1.561(17) . ?
F6 P1 1.594(17) . ?
F7 P2 1.549(19) . ?
F8 P2 1.489(18) . ?
F9 P2 1.50(2) . ?
F10 P2 1.551(17) . ?
F11 P2 1.443(19) . ?
F12 P2 1.45(2) . ?
C31 Cl1 1.730(5) . ?
C31 Cl2 1.731(5) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 Cl4 1.728(5) . ?
C32 Cl3 1.731(5) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 Cl6 1.729(5) . ?
C33 Cl5 1.730(5) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
