#------------------------------------------------------------------------------
#$Date: 2017-06-03 05:17:24 +0300 (Sat, 03 Jun 2017) $
#$Revision: 197187 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/31/7043194.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_7043194
loop_
_publ_author_name
'Mageed, Ahmed Hassoon'
'Skelton, Brian W.'
'Baker, Murray V.'
_publ_section_title
;
 Stable AuIII complexes with four N-heterocyclic carbene groups can be
 prepared in high yield directly from KAuCl4.
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01272A
_journal_year                    2017
_chemical_formula_moiety         'C30 H28 Au N8, 3(F6 P), 2(C2 H3 N)'
_chemical_formula_sum            'C34 H34 Au F18 N10 P3'
_chemical_formula_weight         1214.59
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-12-09T08:20:44-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2017-01-20 deposited with the CCDC.
2017-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                95.6460(10)
_cell_angle_beta                 96.1970(10)
_cell_angle_gamma                94.6830(10)
_cell_formula_units_Z            3
_cell_length_a                   9.50080(10)
_cell_length_b                   15.6009(2)
_cell_length_c                   21.6100(3)
_cell_measurement_reflns_used    30556
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.052
_cell_measurement_theta_min      1.702
_cell_volume                     3155.08(7)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Diamond (Brandenburg, K., (1999)'
_computing_publication_material  'WinGX Farrugia, L. J. (1999)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4738
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Gemini diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0410364
_diffrn_orient_matrix_UB_12      -0.032497
_diffrn_orient_matrix_UB_13      -0.0118693
_diffrn_orient_matrix_UB_21      0.0475632
_diffrn_orient_matrix_UB_22      0.0070774
_diffrn_orient_matrix_UB_23      0.0280386
_diffrn_orient_matrix_UB_31      -0.0417441
_diffrn_orient_matrix_UB_32      -0.0316145
_diffrn_orient_matrix_UB_33      0.0132628
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            71746
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 1
_diffrn_reflns_theta_full        30
_diffrn_reflns_theta_max         30.066
_diffrn_reflns_theta_min         1.708
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.734
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.74073
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
     CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.918
_exptl_crystal_description       block
_exptl_crystal_F_000             1782
_exptl_crystal_size_max          0.355
_exptl_crystal_size_mid          0.247
_exptl_crystal_size_min          0.191
_refine_diff_density_max         2.804
_refine_diff_density_min         -0.744
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     971
_refine_ls_number_reflns         18510
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0270P)²+0.9552P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0552
_refine_ls_wR_factor_ref         0.0576
_reflns_number_gt                16459
_reflns_number_total             18510
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt01272a2.cif
_cod_data_source_block           ah154
_cod_database_code               7043194
loop_
_symmetry_equiv_pos_as_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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.48361(2) 0.32654(2) 0.83545(2) 0.01254(2) Uani 1 d . .
Au2 Au 0.5 0 0.5 0.01299(3) Uani 1 d . .
C11 C 0.3124(2) 0.34368(13) 0.77263(10) 0.0146(4) Uani 1 d . .
N12 N 0.19732(18) 0.28510(11) 0.76010(8) 0.0153(3) Uani 1 d . .
C13 C 0.0866(2) 0.31749(15) 0.72571(10) 0.0189(4) Uani 1 d . .
H13 H -0.0054 0.289 0.7121 0.023 Uiso 1 calc . .
C14 C 0.1357(2) 0.39772(15) 0.71550(10) 0.0188(4) Uani 1 d . .
H14 H 0.0848 0.4368 0.6928 0.023 Uiso 1 calc . .
N15 N 0.27433(18) 0.41278(11) 0.74427(8) 0.0151(3) Uani 1 d . .
C1 C 0.1977(2) 0.19861(13) 0.77962(10) 0.0181(4) Uani 1 d . .
H1A H 0.1044 0.1654 0.7659 0.022 Uiso 1 calc . .
H1B H 0.272 0.1676 0.7606 0.022 Uiso 1 calc . .
C21 C 0.3927(2) 0.47896(14) 0.66464(11) 0.0193(4) Uani 1 d . .
C22 C 0.4681(2) 0.41253(14) 0.63907(10) 0.0187(4) Uani 1 d . .
C23 C 0.4656(2) 0.39791(15) 0.57458(11) 0.0230(5) Uani 1 d . .
H23 H 0.5153 0.3527 0.5572 0.028 Uiso 1 calc . .
C24 C 0.3916(3) 0.44812(17) 0.53485(12) 0.0279(5) Uani 1 d . .
H24 H 0.3861 0.4351 0.4907 0.033 Uiso 1 calc . .
C25 C 0.3262(2) 0.51695(17) 0.56013(12) 0.0284(5) Uani 1 d . .
H25 H 0.2812 0.5541 0.5335 0.034 Uiso 1 calc . .
C26 C 0.3263(2) 0.53189(16) 0.62486(11) 0.0238(5) Uani 1 d . .
H26 H 0.2802 0.579 0.642 0.029 Uiso 1 calc . .
C2 C 0.3660(2) 0.48951(13) 0.73303(10) 0.0170(4) Uani 1 d . .
H2A H 0.4572 0.4941 0.7606 0.02 Uiso 1 calc . .
H2B H 0.3184 0.5427 0.7421 0.02 Uiso 1 calc . .
C31 C 0.6277(2) 0.39738(13) 0.79201(10) 0.0150(4) Uani 1 d . .
N32 N 0.64177(18) 0.40097(11) 0.73160(8) 0.0151(3) Uani 1 d . .
C33 C 0.7569(2) 0.45892(14) 0.72510(11) 0.0200(4) Uani 1 d . .
H33 H 0.7882 0.4738 0.6869 0.024 Uiso 1 calc . .
C34 C 0.8156(2) 0.49001(14) 0.78351(11) 0.0205(4) Uani 1 d . .
H34 H 0.8968 0.5306 0.7945 0.025 Uiso 1 calc . .
N35 N 0.73444(18) 0.45116(11) 0.82429(8) 0.0159(3) Uani 1 d . .
C3 C 0.5490(2) 0.35374(14) 0.67837(10) 0.0177(4) Uani 1 d . .
H3A H 0.4802 0.3126 0.6942 0.021 Uiso 1 calc . .
H3B H 0.6075 0.3198 0.6517 0.021 Uiso 1 calc . .
C41 C 0.6552(2) 0.31271(13) 0.89866(9) 0.0140(4) Uani 1 d . .
N42 N 0.76447(18) 0.37556(11) 0.91280(8) 0.0154(3) Uani 1 d . .
C43 C 0.8765(2) 0.34641(14) 0.94859(10) 0.0178(4) Uani 1 d . .
H43 H 0.9656 0.3777 0.9638 0.021 Uiso 1 calc . .
C44 C 0.8335(2) 0.26448(14) 0.95743(10) 0.0179(4) Uani 1 d . .
H44 H 0.8868 0.2268 0.9805 0.021 Uiso 1 calc . .
N45 N 0.69760(18) 0.24522(11) 0.92679(8) 0.0147(3) Uani 1 d . .
C4 C 0.7598(2) 0.46151(13) 0.89232(10) 0.0177(4) Uani 1 d . .
H4A H 0.6825 0.491 0.9101 0.021 Uiso 1 calc . .
H4B H 0.851 0.4968 0.9065 0.021 Uiso 1 calc . .
C51 C 0.5736(2) 0.15310(14) 0.99534(10) 0.0165(4) Uani 1 d . .
C52 C 0.4866(2) 0.20891(14) 1.02549(10) 0.0171(4) Uani 1 d . .
C53 C 0.4470(2) 0.19174(15) 1.08352(10) 0.0216(4) Uani 1 d . .
H53 H 0.3874 0.2286 1.1039 0.026 Uiso 1 calc . .
C54 C 0.4934(3) 0.12123(16) 1.11206(11) 0.0256(5) Uani 1 d . .
H54 H 0.4641 0.1097 1.1513 0.031 Uiso 1 calc . .
C55 C 0.5817(3) 0.06816(15) 1.08345(11) 0.0245(5) Uani 1 d . .
H55 H 0.6155 0.021 1.1035 0.029 Uiso 1 calc . .
C56 C 0.6216(2) 0.08385(14) 1.02509(11) 0.0201(4) Uani 1 d . .
H56 H 0.6821 0.0469 1.0054 0.024 Uiso 1 calc . .
C5 C 0.6141(2) 0.16190(13) 0.93021(10) 0.0163(4) Uani 1 d . .
H5A H 0.6706 0.1138 0.9178 0.02 Uiso 1 calc . .
H5B H 0.5267 0.1572 0.9002 0.02 Uiso 1 calc . .
C61 C 0.3395(2) 0.25590(13) 0.87934(10) 0.0150(4) Uani 1 d . .
N62 N 0.32570(18) 0.25005(11) 0.93998(8) 0.0156(3) Uani 1 d . .
C63 C 0.2041(2) 0.19770(14) 0.94579(11) 0.0190(4) Uani 1 d . .
H63 H 0.1714 0.1834 0.9838 0.023 Uiso 1 calc . .
C64 C 0.1407(2) 0.17079(14) 0.88760(11) 0.0196(4) Uani 1 d . .
H64 H 0.0547 0.1344 0.8765 0.024 Uiso 1 calc . .
N65 N 0.22610(18) 0.20696(11) 0.84727(8) 0.0160(3) Uani 1 d . .
C6 C 0.4259(2) 0.28384(14) 0.99550(10) 0.0164(4) Uani 1 d . .
H6A H 0.3761 0.3181 1.0259 0.02 Uiso 1 calc . .
H6B H 0.5038 0.3222 0.9831 0.02 Uiso 1 calc . .
C71 C 0.3433(2) 0.03544(13) 0.43734(10) 0.0146(4) Uani 1 d . .
N72 N 0.22917(19) -0.01953(12) 0.41392(8) 0.0163(3) Uani 1 d . .
C73 C 0.1309(2) 0.02110(15) 0.37859(10) 0.0194(4) Uani 1 d . .
H73 H 0.0416 -0.0038 0.3577 0.023 Uiso 1 calc . .
C74 C 0.1872(2) 0.10374(14) 0.37958(10) 0.0187(4) Uani 1 d . .
H74 H 0.1451 0.1482 0.3592 0.022 Uiso 1 calc . .
N75 N 0.31785(18) 0.11129(11) 0.41580(8) 0.0156(3) Uani 1 d . .
C7 C 0.2175(2) -0.10957(14) 0.42658(10) 0.0190(4) Uani 1 d . .
H7A H 0.1254 -0.1392 0.4064 0.023 Uiso 1 calc . .
H7B H 0.295 -0.1397 0.4096 0.023 Uiso 1 calc . .
C81 C 0.4649(2) 0.20947(14) 0.36108(10) 0.0181(4) Uani 1 d . .
C82 C 0.5475(2) 0.15378(14) 0.32751(10) 0.0179(4) Uani 1 d . .
C83 C 0.5924(2) 0.17738(16) 0.27221(11) 0.0226(5) Uani 1 d . .
H83 H 0.6505 0.1413 0.2502 0.027 Uiso 1 calc . .
C84 C 0.5544(3) 0.25270(16) 0.24812(11) 0.0263(5) Uani 1 d . .
H84 H 0.587 0.268 0.2103 0.032 Uiso 1 calc . .
C85 C 0.4692(3) 0.30500(16) 0.27948(12) 0.0268(5) Uani 1 d . .
H85 H 0.4397 0.3554 0.2625 0.032 Uiso 1 calc . .
C86 C 0.4264(2) 0.28377(15) 0.33607(11) 0.0229(5) Uani 1 d . .
H86 H 0.3697 0.3209 0.358 0.027 Uiso 1 calc . .
C8 C 0.4139(2) 0.19173(13) 0.42272(10) 0.0181(4) Uani 1 d . .
H8A H 0.4968 0.1867 0.4537 0.022 Uiso 1 calc . .
H8B H 0.3633 0.2408 0.4387 0.022 Uiso 1 calc . .
C91 C 0.6593(2) 0.07377(13) 0.46729(10) 0.0157(4) Uani 1 d . .
N92 N 0.68624(18) 0.08932(11) 0.40974(8) 0.0162(3) Uani 1 d . .
C93 C 0.8173(2) 0.13628(14) 0.41237(11) 0.0196(4) Uani 1 d . .
H93 H 0.8602 0.1556 0.3779 0.024 Uiso 1 calc . .
C94 C 0.8724(2) 0.14946(14) 0.47292(11) 0.0202(4) Uani 1 d . .
H94 H 0.962 0.179 0.4895 0.024 Uiso 1 calc . .
N95 N 0.77280(19) 0.11145(11) 0.50616(8) 0.0166(4) Uani 1 d . .
C9 C 0.5922(2) 0.07041(14) 0.35045(10) 0.0170(4) Uani 1 d . .
H9A H 0.5069 0.0328 0.3568 0.02 Uiso 1 calc . .
H9B H 0.6425 0.0392 0.3187 0.02 Uiso 1 calc . .
P1 P 0.24288(6) 0.50750(4) 0.91341(3) 0.01870(11) Uani 1 d . .
F11 F 0.17979(16) 0.41312(9) 0.88156(7) 0.0300(3) Uani 1 d . .
F12 F 0.30460(15) 0.60179(10) 0.94496(7) 0.0324(4) Uani 1 d . .
F13 F 0.3099(8) 0.4703(3) 0.9743(2) 0.0442(12) Uani 0.75(2) d A 1
F14 F 0.1780(6) 0.5456(4) 0.8515(3) 0.0382(11) Uani 0.75(2) d A 1
F15 F 0.3890(5) 0.4975(3) 0.8828(2) 0.0310(10) Uani 0.75(2) d A 1
F16 F 0.0982(7) 0.5179(4) 0.9431(3) 0.0408(15) Uani 0.75(2) d A 1
F13' F 0.234(5) 0.4652(9) 0.9781(6) 0.068(8) Uani 0.25(2) d A 2
F14' F 0.0887(18) 0.5381(13) 0.9205(17) 0.056(6) Uani 0.25(2) d A 2
F15' F 0.242(5) 0.5460(11) 0.8509(7) 0.064(8) Uani 0.25(2) d A 2
F16' F 0.3931(14) 0.4747(17) 0.9089(19) 0.067(9) Uani 0.25(2) d A 2
P2 P 0.72687(6) 0.14059(4) 0.75459(3) 0.01959(11) Uani 1 d . .
F21 F 0.86983(15) 0.13007(10) 0.72206(8) 0.0329(4) Uani 1 d . .
F22 F 0.66995(16) 0.04381(10) 0.72748(8) 0.0352(4) Uani 1 d . .
F23 F 0.58381(15) 0.15145(10) 0.78695(7) 0.0316(3) Uani 1 d . .
F24 F 0.78624(19) 0.23733(10) 0.78226(9) 0.0443(5) Uani 1 d . .
F25 F 0.6533(2) 0.17404(13) 0.69322(8) 0.0494(5) Uani 1 d . .
F26 F 0.80007(18) 0.10688(11) 0.81624(7) 0.0358(4) Uani 1 d . .
P3 P 0.23698(6) 0.15582(4) 0.59383(3) 0.01851(11) Uani 1 d . .
F31 F 0.30386(15) 0.23459(11) 0.64320(8) 0.0392(4) Uani 1 d . .
F32 F 0.16658(16) 0.07690(9) 0.54460(7) 0.0301(3) Uani 1 d . .
F33 F 0.3835(4) 0.1128(3) 0.5926(2) 0.0458(10) Uani 0.5 d B 1
F34 F 0.1962(5) 0.0939(2) 0.64721(17) 0.0429(10) Uani 0.5 d B 1
F35 F 0.0887(6) 0.1953(3) 0.5987(3) 0.0412(13) Uani 0.5 d B 1
F36 F 0.2710(6) 0.2132(3) 0.5423(2) 0.0535(14) Uani 0.5 d B 1
F33' F 0.3880(4) 0.1536(3) 0.56602(18) 0.0365(9) Uani 0.5 d B 2
F34' F 0.2878(5) 0.0986(3) 0.64473(18) 0.0467(10) Uani 0.5 d B 2
F35' F 0.0888(6) 0.1622(4) 0.6200(3) 0.061(2) Uani 0.5 d B 2
F36' F 0.1892(5) 0.2164(3) 0.5398(3) 0.0517(14) Uani 0.5 d B 2
P4 P 0.98778(6) 0.65923(4) 0.66345(3) 0.02121(12) Uani 1 d . .
F41 F 1.10312(17) 0.63317(11) 0.71620(8) 0.0389(4) Uani 1 d . .
F42 F 0.86673(16) 0.64613(10) 0.70834(8) 0.0346(4) Uani 1 d . .
F43 F 0.87337(16) 0.68582(11) 0.61037(7) 0.0365(4) Uani 1 d . .
F44 F 1.10818(15) 0.67289(10) 0.61805(7) 0.0308(3) Uani 1 d . .
F45 F 1.01683(18) 0.75899(10) 0.69177(8) 0.0360(4) Uani 1 d . .
F46 F 0.95926(18) 0.55960(10) 0.63504(8) 0.0404(4) Uani 1 d . .
P5 P 0 0 0 0.01968(16) Uani 1 d . .
F51 F -0.07579(15) 0.01318(10) 0.06236(7) 0.0297(3) Uani 1 d . .
F52 F -0.14309(15) -0.05182(9) -0.03585(7) 0.0308(3) Uani 1 d . .
F53 F -0.05411(15) 0.08880(9) -0.02124(8) 0.0317(3) Uani 1 d . .
N101 N 0.8698(3) 0.68357(19) 0.90177(14) 0.0478(7) Uani 1 d . .
C101 C 0.9735(3) 0.71206(18) 0.88714(13) 0.0336(6) Uani 1 d . .
C102 C 1.1066(3) 0.74899(18) 0.86883(14) 0.0364(6) Uani 1 d . .
H10A H 1.1204 0.811 0.8833 0.055 Uiso 1 calc . .
H10B H 1.1033 0.7408 0.8231 0.055 Uiso 1 calc . .
H10C H 1.1857 0.7201 0.8877 0.055 Uiso 1 calc . .
N201 N 1.1205(3) 0.9744(2) 0.76628(16) 0.0563(8) Uani 1 d . .
C201 C 1.0171(4) 0.9432(2) 0.77920(14) 0.0404(7) Uani 1 d . .
C202 C 0.8840(3) 0.90325(19) 0.79537(14) 0.0385(7) Uani 1 d . .
H20A H 0.8041 0.9289 0.774 0.058 Uiso 1 calc . .
H20B H 0.8821 0.9129 0.8408 0.058 Uiso 1 calc . .
H20C H 0.8763 0.8409 0.7822 0.058 Uiso 1 calc . .
N301 N 0.1981(3) 0.68566(16) 0.41853(14) 0.0488(7) Uani 1 d . .
C301 C 0.1022(3) 0.65443(17) 0.43718(13) 0.0288(5) Uani 1 d . .
C302 C -0.0225(3) 0.61536(18) 0.46037(14) 0.0348(6) Uani 1 d . .
H30A H -0.0154 0.6295 0.5059 0.052 Uiso 1 calc . .
H30B H -0.0288 0.5524 0.4503 0.052 Uiso 1 calc . .
H30C H -0.1077 0.6377 0.4406 0.052 Uiso 1 calc . .
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 0 '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'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 1 -1 0.1603
0 -1 3 0.0567
0 -1 -2 0.1569
1 1 -1 0.1592
0 1 2 0.09
-1 2 2 0.0926
-12 -7 9 0.1058
0 0 -1 0.1638
-5 3 3 0.0946
1 -1 -2 0.1408
0 -1 1 0.031
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
C41 Au1 C31 84.77(8) . .
C41 Au1 C11 178.57(8) . .
C31 Au1 C11 94.52(8) . .
C41 Au1 C61 95.08(8) . .
C31 Au1 C61 179.75(8) . .
C11 Au1 C61 85.63(8) . .
C71 Au2 C71 180.00(10) . 2_656
C71 Au2 C91 93.94(8) . .
C71 Au2 C91 86.06(8) 2_656 .
C71 Au2 C91 86.06(8) . 2_656
C71 Au2 C91 93.94(8) 2_656 2_656
C91 Au2 C91 180 . 2_656
N15 C11 N12 104.74(18) . .
N15 C11 Au1 132.18(15) . .
N12 C11 Au1 122.21(15) . .
C11 N12 C13 111.52(18) . .
C11 N12 C1 122.19(18) . .
C13 N12 C1 126.26(18) . .
C14 C13 N12 105.86(19) . .
C14 C13 H13 127.1 . .
N12 C13 H13 127.1 . .
C13 C14 N15 107.36(19) . .
C13 C14 H14 126.3 . .
N15 C14 H14 126.3 . .
C11 N15 C14 110.50(18) . .
C11 N15 C2 128.14(18) . .
C14 N15 C2 120.53(18) . .
N65 C1 N12 107.92(17) . .
N65 C1 H1A 110.1 . .
N12 C1 H1A 110.1 . .
N65 C1 H1B 110.1 . .
N12 C1 H1B 110.1 . .
H1A C1 H1B 108.4 . .
C26 C21 C22 119.0(2) . .
C26 C21 C2 117.6(2) . .
C22 C21 C2 123.06(19) . .
C23 C22 C21 119.1(2) . .
C23 C22 C3 117.6(2) . .
C21 C22 C3 123.2(2) . .
C22 C23 C24 121.3(2) . .
C22 C23 H23 119.3 . .
C24 C23 H23 119.3 . .
C25 C24 C23 119.4(2) . .
C25 C24 H24 120.3 . .
C23 C24 H24 120.3 . .
C24 C25 C26 119.9(2) . .
C24 C25 H25 120.1 . .
C26 C25 H25 120.1 . .
C21 C26 C25 121.0(2) . .
C21 C26 H26 119.5 . .
C25 C26 H26 119.5 . .
N15 C2 C21 107.75(17) . .
N15 C2 H2A 110.2 . .
C21 C2 H2A 110.2 . .
N15 C2 H2B 110.2 . .
C21 C2 H2B 110.2 . .
H2A C2 H2B 108.5 . .
N32 C31 N35 106.37(17) . .
N32 C31 Au1 131.30(15) . .
N35 C31 Au1 122.32(15) . .
C31 N32 C33 110.16(18) . .
C31 N32 C3 126.37(17) . .
C33 N32 C3 123.45(18) . .
C34 C33 N32 106.76(19) . .
C34 C33 H33 126.6 . .
N32 C33 H33 126.6 . .
C33 C34 N35 106.52(19) . .
C33 C34 H34 126.7 . .
N35 C34 H34 126.7 . .
C31 N35 C34 110.18(18) . .
C31 N35 C4 122.92(17) . .
C34 N35 C4 126.84(18) . .
N32 C3 C22 112.97(18) . .
N32 C3 H3A 109 . .
C22 C3 H3A 109 . .
N32 C3 H3B 109 . .
C22 C3 H3B 109 . .
H3A C3 H3B 107.8 . .
N45 C41 N42 105.38(18) . .
N45 C41 Au1 132.48(15) . .
N42 C41 Au1 121.52(15) . .
C41 N42 C43 110.82(18) . .
C41 N42 C4 123.08(18) . .
C43 N42 C4 126.10(17) . .
C44 C43 N42 105.81(18) . .
C44 C43 H43 127.1 . .
N42 C43 H43 127.1 . .
C43 C44 N45 107.52(19) . .
C43 C44 H44 126.2 . .
N45 C44 H44 126.2 . .
C41 N45 C44 110.45(17) . .
C41 N45 C5 127.54(18) . .
C44 N45 C5 121.91(18) . .
N35 C4 N42 107.57(17) . .
N35 C4 H4A 110.2 . .
N42 C4 H4A 110.2 . .
N35 C4 H4B 110.2 . .
N42 C4 H4B 110.2 . .
H4A C4 H4B 108.5 . .
C56 C51 C52 119.4(2) . .
C56 C51 C5 117.17(19) . .
C52 C51 C5 123.38(19) . .
C53 C52 C51 119.0(2) . .
C53 C52 C6 118.15(19) . .
C51 C52 C6 122.72(19) . .
C52 C53 C54 120.9(2) . .
C52 C53 H53 119.6 . .
C54 C53 H53 119.6 . .
C55 C54 C53 120.1(2) . .
C55 C54 H54 120 . .
C53 C54 H54 120 . .
C54 C55 C56 119.8(2) . .
C54 C55 H55 120.1 . .
C56 C55 H55 120.1 . .
C55 C56 C51 120.7(2) . .
C55 C56 H56 119.6 . .
C51 C56 H56 119.6 . .
N45 C5 C51 112.10(17) . .
N45 C5 H5A 109.2 . .
C51 C5 H5A 109.2 . .
N45 C5 H5B 109.2 . .
C51 C5 H5B 109.2 . .
H5A C5 H5B 107.9 . .
N62 C61 N65 105.32(17) . .
N62 C61 Au1 132.33(15) . .
N65 C61 Au1 122.22(15) . .
C61 N62 C63 110.31(18) . .
C61 N62 C6 128.73(17) . .
C63 N62 C6 120.67(18) . .
C64 C63 N62 107.39(19) . .
C64 C63 H63 126.3 . .
N62 C63 H63 126.3 . .
C63 C64 N65 106.00(19) . .
C63 C64 H64 127 . .
N65 C64 H64 127 . .
C61 N65 C64 110.98(18) . .
C61 N65 C1 123.02(17) . .
C64 N65 C1 125.93(18) . .
N62 C6 C52 109.33(17) . .
N62 C6 H6A 109.8 . .
C52 C6 H6A 109.8 . .
N62 C6 H6B 109.8 . .
C52 C6 H6B 109.8 . .
H6A C6 H6B 108.3 . .
N75 C71 N72 105.29(18) . .
N75 C71 Au2 132.81(15) . .
N72 C71 Au2 121.55(15) . .
C71 N72 C73 111.29(18) . .
C71 N72 C7 121.85(18) . .
C73 N72 C7 126.86(18) . .
C74 C73 N72 106.02(19) . .
C74 C73 H73 127 . .
N72 C73 H73 127 . .
C73 C74 N75 107.07(19) . .
C73 C74 H74 126.5 . .
N75 C74 H74 126.5 . .
C71 N75 C74 110.31(18) . .
C71 N75 C8 128.01(18) . .
C74 N75 C8 121.48(18) . .
N95 C7 N72 108.11(17) 2_656 .
N95 C7 H7A 110.1 2_656 .
N72 C7 H7A 110.1 . .
N95 C7 H7B 110.1 2_656 .
N72 C7 H7B 110.1 . .
H7A C7 H7B 108.4 . .
C86 C81 C82 118.9(2) . .
C86 C81 C8 117.6(2) . .
C82 C81 C8 123.50(19) . .
C83 C82 C81 118.9(2) . .
C83 C82 C9 118.4(2) . .
C81 C82 C9 122.67(19) . .
C82 C83 C84 121.5(2) . .
C82 C83 H83 119.3 . .
C84 C83 H83 119.3 . .
C85 C84 C83 119.6(2) . .
C85 C84 H84 120.2 . .
C83 C84 H84 120.2 . .
C84 C85 C86 119.8(2) . .
C84 C85 H85 120.1 . .
C86 C85 H85 120.1 . .
C81 C86 C85 121.3(2) . .
C81 C86 H86 119.4 . .
C85 C86 H86 119.4 . .
N75 C8 C81 111.17(18) . .
N75 C8 H8A 109.4 . .
C81 C8 H8A 109.4 . .
N75 C8 H8B 109.4 . .
C81 C8 H8B 109.4 . .
H8A C8 H8B 108 . .
N92 C91 N95 105.67(17) . .
N92 C91 Au2 132.92(16) . .
N95 C91 Au2 121.12(15) . .
C91 N92 C93 110.18(18) . .
C91 N92 C9 128.60(18) . .
C93 N92 C9 120.93(18) . .
C94 C93 N92 107.20(19) . .
C94 C93 H93 126.4 . .
N92 C93 H93 126.4 . .
C93 C94 N95 106.20(19) . .
C93 C94 H94 126.9 . .
N95 C94 H94 126.9 . .
C91 N95 C94 110.73(18) . .
C91 N95 C7 122.22(17) . 2_656
C94 N95 C7 127.04(18) . 2_656
N92 C9 C82 109.92(17) . .
N92 C9 H9A 109.7 . .
C82 C9 H9A 109.7 . .
N92 C9 H9B 109.7 . .
C82 C9 H9B 109.7 . .
H9A C9 H9B 108.2 . .
F15' P1 F16' 92.6(8) . .
F13 P1 F16 90.7(2) . .
F15' P1 F14' 90.0(8) . .
F16' P1 F14' 177.3(9) . .
F15' P1 F12 86.0(6) . .
F16' P1 F12 94.1(6) . .
F13 P1 F12 88.1(2) . .
F16 P1 F12 90.3(2) . .
F14' P1 F12 86.8(7) . .
F13 P1 F14 178.9(2) . .
F16 P1 F14 90.3(2) . .
F12 P1 F14 91.6(2) . .
F15' P1 F11 93.9(6) . .
F16' P1 F11 86.3(6) . .
F13 P1 F11 92.3(2) . .
F16 P1 F11 89.4(2) . .
F14' P1 F11 92.8(7) . .
F12 P1 F11 179.56(10) . .
F14 P1 F11 88.1(2) . .
F15' P1 F13' 176.7(7) . .
F16' P1 F13' 89.9(8) . .
F14' P1 F13' 87.4(8) . .
F12 P1 F13' 96.0(6) . .
F11 P1 F13' 84.2(6) . .
F13 P1 F15 89.80(18) . .
F16 P1 F15 179.5(2) . .
F12 P1 F15 89.53(16) . .
F14 P1 F15 89.20(19) . .
F11 P1 F15 90.77(16) . .
F25 P2 F26 179.76(11) . .
F25 P2 F22 89.64(10) . .
F26 P2 F22 90.25(9) . .
F25 P2 F24 91.03(11) . .
F26 P2 F24 89.09(10) . .
F22 P2 F24 179.15(11) . .
F25 P2 F23 89.48(9) . .
F26 P2 F23 90.31(9) . .
F22 P2 F23 90.49(8) . .
F24 P2 F23 90.04(9) . .
F25 P2 F21 90.32(9) . .
F26 P2 F21 89.90(9) . .
F22 P2 F21 89.64(8) . .
F24 P2 F21 89.83(9) . .
F23 P2 F21 179.76(11) . .
F34' P3 F35' 91.8(3) . .
F36 P3 F31 87.22(19) . .
F34' P3 F31 85.06(17) . .
F35' P3 F31 89.7(2) . .
F36 P3 F35 91.1(3) . .
F31 P3 F35 86.3(2) . .
F36 P3 F33 92.5(3) . .
F31 P3 F33 93.57(15) . .
F35 P3 F33 176.3(3) . .
F36 P3 F32 93.19(18) . .
F34' P3 F32 95.13(16) . .
F35' P3 F32 89.1(2) . .
F31 P3 F32 178.83(9) . .
F35 P3 F32 92.6(2) . .
F33 P3 F32 87.50(15) . .
F34' P3 F33' 90.4(2) . .
F35' P3 F33' 177.4(3) . .
F31 P3 F33' 89.15(14) . .
F32 P3 F33' 92.00(14) . .
F34' P3 F36' 178.0(3) . .
F35' P3 F36' 90.1(3) . .
F31 P3 F36' 94.48(19) . .
F32 P3 F36' 85.38(18) . .
F33' P3 F36' 87.6(3) . .
F36 P3 F34 178.2(3) . .
F31 P3 F34 94.11(15) . .
F35 P3 F34 87.8(3) . .
F33 P3 F34 88.6(2) . .
F32 P3 F34 85.46(15) . .
F42 P4 F44 179.46(9) . .
F42 P4 F41 90.06(9) . .
F44 P4 F41 90.45(9) . .
F42 P4 F43 90.41(9) . .
F44 P4 F43 89.08(8) . .
F41 P4 F43 179.49(9) . .
F42 P4 F46 90.63(9) . .
F44 P4 F46 89.53(9) . .
F41 P4 F46 89.53(10) . .
F43 P4 F46 90.68(10) . .
F42 P4 F45 89.56(9) . .
F44 P4 F45 90.27(8) . .
F41 P4 F45 90.43(10) . .
F43 P4 F45 89.36(9) . .
F46 P4 F45 179.80(10) . .
F51 P5 F51 180 . 2
F51 P5 F52 90.10(8) . 2
F51 P5 F52 89.91(8) 2 2
F51 P5 F52 89.91(8) . .
F51 P5 F52 90.09(8) 2 .
F52 P5 F52 180 2 .
F51 P5 F53 90.19(8) . .
F51 P5 F53 89.81(8) 2 .
F52 P5 F53 90.29(8) 2 .
F52 P5 F53 89.71(8) . .
F51 P5 F53 89.81(8) . 2
F51 P5 F53 90.19(8) 2 2
F52 P5 F53 89.71(8) 2 2
F52 P5 F53 90.29(8) . 2
F53 P5 F53 180 . 2
N101 C101 C102 179.6(4) . .
C101 C102 H10A 109.5 . .
C101 C102 H10B 109.5 . .
H10A C102 H10B 109.5 . .
C101 C102 H10C 109.5 . .
H10A C102 H10C 109.5 . .
H10B C102 H10C 109.5 . .
N201 C201 C202 179.6(4) . .
C201 C202 H20A 109.5 . .
C201 C202 H20B 109.5 . .
H20A C202 H20B 109.5 . .
C201 C202 H20C 109.5 . .
H20A C202 H20C 109.5 . .
H20B C202 H20C 109.5 . .
N301 C301 C302 178.9(3) . .
C301 C302 H30A 109.5 . .
C301 C302 H30B 109.5 . .
H30A C302 H30B 109.5 . .
C301 C302 H30C 109.5 . .
H30A C302 H30C 109.5 . .
H30B C302 H30C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C41 2.051(2) .
Au1 C31 2.052(2) .
Au1 C11 2.056(2) .
Au1 C61 2.056(2) .
Au2 C71 2.050(2) .
Au2 C71 2.050(2) 2_656
Au2 C91 2.055(2) .
Au2 C91 2.055(2) 2_656
C11 N15 1.347(3) .
C11 N12 1.352(3) .
N12 C13 1.381(3) .
N12 C1 1.453(3) .
C13 C14 1.347(3) .
C13 H13 0.95 .
C14 N15 1.386(3) .
C14 H14 0.95 .
N15 C2 1.477(3) .
C1 N65 1.449(3) .
C1 H1A 0.99 .
C1 H1B 0.99 .
C21 C26 1.388(3) .
C21 C22 1.410(3) .
C21 C2 1.522(3) .
C22 C23 1.387(3) .
C22 C3 1.510(3) .
C23 C24 1.392(3) .
C23 H23 0.95 .
C24 C25 1.380(4) .
C24 H24 0.95 .
C25 C26 1.395(3) .
C25 H25 0.95 .
C26 H26 0.95 .
C2 H2A 0.99 .
C2 H2B 0.99 .
C31 N32 1.333(3) .
C31 N35 1.346(3) .
N32 C33 1.389(3) .
N32 C3 1.467(3) .
C33 C34 1.350(3) .
C33 H33 0.95 .
C34 N35 1.383(3) .
C34 H34 0.95 .
N35 C4 1.455(3) .
C3 H3A 0.99 .
C3 H3B 0.99 .
C41 N45 1.335(3) .
C41 N42 1.356(3) .
N42 C43 1.382(3) .
N42 C4 1.455(3) .
C43 C44 1.348(3) .
C43 H43 0.95 .
C44 N45 1.381(3) .
C44 H44 0.95 .
N45 C5 1.479(3) .
C4 H4A 0.99 .
C4 H4B 0.99 .
C51 C56 1.394(3) .
C51 C52 1.410(3) .
C51 C5 1.515(3) .
C52 C53 1.392(3) .
C52 C6 1.516(3) .
C53 C54 1.393(3) .
C53 H53 0.95 .
C54 C55 1.377(3) .
C54 H54 0.95 .
C55 C56 1.394(3) .
C55 H55 0.95 .
C56 H56 0.95 .
C5 H5A 0.99 .
C5 H5B 0.99 .
C61 N62 1.342(3) .
C61 N65 1.351(3) .
N62 C63 1.384(3) .
N62 C6 1.473(3) .
C63 C64 1.346(3) .
C63 H63 0.95 .
C64 N65 1.382(3) .
C64 H64 0.95 .
C6 H6A 0.99 .
C6 H6B 0.99 .
C71 N75 1.344(3) .
C71 N72 1.346(3) .
N72 C73 1.376(3) .
N72 C7 1.455(3) .
C73 C74 1.352(3) .
C73 H73 0.95 .
C74 N75 1.384(3) .
C74 H74 0.95 .
N75 C8 1.475(3) .
C7 N95 1.450(3) 2_656
C7 H7A 0.99 .
C7 H7B 0.99 .
C81 C86 1.386(3) .
C81 C82 1.417(3) .
C81 C8 1.509(3) .
C82 C83 1.384(3) .
C82 C9 1.513(3) .
C83 C84 1.390(3) .
C83 H83 0.95 .
C84 C85 1.378(4) .
C84 H84 0.95 .
C85 C86 1.391(3) .
C85 H85 0.95 .
C86 H86 0.95 .
C8 H8A 0.99 .
C8 H8B 0.99 .
C91 N92 1.338(3) .
C91 N95 1.348(3) .
N92 C93 1.385(3) .
N92 C9 1.471(3) .
C93 C94 1.346(3) .
C93 H93 0.95 .
C94 N95 1.379(3) .
C94 H94 0.95 .
N95 C7 1.450(3) 2_656
C9 H9A 0.99 .
C9 H9B 0.99 .
P1 F15' 1.530(16) .
P1 F16' 1.564(12) .
P1 F13 1.582(4) .
P1 F16 1.592(5) .
P1 F14' 1.596(17) .
P1 F12 1.5963(15) .
P1 F14 1.602(5) .
P1 F11 1.6025(15) .
P1 F13' 1.611(14) .
P1 F15 1.613(4) .
P2 F25 1.5860(17) .
P2 F26 1.5914(16) .
P2 F22 1.5936(16) .
P2 F24 1.6012(16) .
P2 F23 1.6077(15) .
P2 F21 1.6080(15) .
P3 F36 1.541(4) .
P3 F34' 1.545(4) .
P3 F35' 1.579(6) .
P3 F31 1.5874(15) .
P3 F35 1.592(6) .
P3 F33 1.596(4) .
P3 F32 1.5968(15) .
P3 F33' 1.616(3) .
P3 F36' 1.624(5) .
P3 F34 1.633(4) .
P4 F42 1.5960(15) .
P4 F44 1.5999(15) .
P4 F41 1.6000(17) .
P4 F43 1.6022(16) .
P4 F46 1.6044(16) .
P4 F45 1.6058(16) .
P5 F51 1.5987(14) .
P5 F51 1.5988(14) 2
P5 F52 1.6037(14) 2
P5 F52 1.6037(14) .
P5 F53 1.6076(13) .
P5 F53 1.6077(13) 2
N101 C101 1.136(4) .
C101 C102 1.457(4) .
C102 H10A 0.98 .
C102 H10B 0.98 .
C102 H10C 0.98 .
N201 C201 1.134(4) .
C201 C202 1.456(4) .
C202 H20A 0.98 .
C202 H20B 0.98 .
C202 H20C 0.98 .
N301 C301 1.129(4) .
C301 C302 1.448(4) .
C302 H30A 0.98 .
C302 H30B 0.98 .
C302 H30C 0.98 .
