#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/98/4079853.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_4079853
loop_
_publ_author_name
'Xu, Xiangya'
'Kim, Seung Hyo'
'Zhang, Xi'
'Das, Atanu Kumar'
'Hirao, Hajime'
'Hong, Soon Hyeok'
_publ_section_title
;
 Abnormal N-Heterocyclic Carbene Gold(I) Complexes: Synthesis, Structure,
 and Catalysis in Hydration of Alkynes
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              164
_journal_paper_doi               10.1021/om3009603
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C24 H28 Au N4, 0.5(C H2 Cl2), F6 P'
_chemical_formula_sum            'C24.5 H29 Au Cl F6 N4 P'
_chemical_formula_weight         756.90
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.791(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   6.3450(4)
_cell_length_b                   21.6251(14)
_cell_length_c                   40.383(3)
_cell_measurement_reflns_used    9314
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      35.05
_cell_measurement_theta_min      3.21
_cell_volume                     5540.5(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       65
_diffrn_reflns_limit_l_min       -65
_diffrn_reflns_number            101937
_diffrn_reflns_theta_full        35.12
_diffrn_reflns_theta_max         35.12
_diffrn_reflns_theta_min         2.69
_exptl_absorpt_coefficient_mu    5.527
_exptl_absorpt_correction_T_max  0.7327
_exptl_absorpt_correction_T_min  0.2159
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.815
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2952
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.276
_refine_diff_density_min         -2.895
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     687
_refine_ls_number_reflns         24297
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0115P)²+13.4194P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0535
_refine_ls_wR_factor_ref         0.0584
_reflns_number_gt                19996
_reflns_number_total             24297
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om3009603_si_002.cif
_cod_data_source_block           Complex-9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C24.50 H29 Au Cl F6 N4 P'
_cod_database_code               4079853
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 0.740156(13) 0.575490(4) 0.747920(2) 0.01419(2) Uani 1 1 d .
Au2 Au 0.5000 1.0000 0.5000 0.01237(2) Uani 1 2 d S
Au3 Au 0.5000 0.5000 0.5000 0.01239(2) Uani 1 2 d S
C1 C 0.6663(4) 0.51903(11) 0.78597(6) 0.0169(4) Uani 1 1 d .
C2 C 0.6665(5) 0.44300(13) 0.82429(7) 0.0287(6) Uani 1 1 d .
H2 H 0.7014 0.4059 0.8357 0.034 Uiso 1 1 calc R
C3 C 0.5247(5) 0.48531(13) 0.83334(7) 0.0274(6) Uani 1 1 d .
H3 H 0.4391 0.4839 0.8524 0.033 Uiso 1 1 calc R
C4 C 0.9189(4) 0.43344(11) 0.77809(8) 0.0254(5) Uani 1 1 d .
C5 C 1.0837(5) 0.40792(13) 0.79704(10) 0.0357(7) Uani 1 1 d .
H5 H 1.0828 0.4103 0.8205 0.043 Uiso 1 1 calc R
C6 C 1.2472(6) 0.37933(15) 0.78096(12) 0.0477(10) Uani 1 1 d .
H6 H 1.3597 0.3615 0.7934 0.057 Uiso 1 1 calc R
C7 C 1.2485(6) 0.37642(14) 0.74710(12) 0.0485(10) Uani 1 1 d .
H7 H 1.3636 0.3572 0.7363 0.058 Uiso 1 1 calc R
C8 C 1.0837(7) 0.40121(15) 0.72812(11) 0.0463(9) Uani 1 1 d .
H8 H 1.0858 0.3987 0.7046 0.056 Uiso 1 1 calc R
C9 C 0.9160(5) 0.42968(13) 0.74397(8) 0.0307(6) Uani 1 1 d .
H9 H 0.8013 0.4463 0.7315 0.037 Uiso 1 1 calc R
C10 C 0.4012(4) 0.58897(12) 0.81136(6) 0.0201(4) Uani 1 1 d .
H10 H 0.4380 0.6152 0.7919 0.024 Uiso 1 1 calc R
C11 C 0.1668(4) 0.57493(16) 0.80929(8) 0.0333(6) Uani 1 1 d .
H11A H 0.1358 0.5519 0.7889 0.050 Uiso 1 1 calc R
H11B H 0.0872 0.6138 0.8091 0.050 Uiso 1 1 calc R
H11C H 0.1263 0.5501 0.8285 0.050 Uiso 1 1 calc R
C12 C 0.4618(5) 0.62427(14) 0.84263(7) 0.0276(5) Uani 1 1 d .
H12A H 0.4319 0.5988 0.8621 0.041 Uiso 1 1 calc R
H12B H 0.3802 0.6627 0.8437 0.041 Uiso 1 1 calc R
H12C H 0.6126 0.6341 0.8423 0.041 Uiso 1 1 calc R
C13 C 0.8069(4) 0.63486(11) 0.71096(5) 0.0160(4) Uani 1 1 d .
C14 C 0.7876(4) 0.71748(12) 0.67689(6) 0.0199(4) Uani 1 1 d .
H14 H 0.7460 0.7562 0.6678 0.024 Uiso 1 1 calc R
C15 C 0.9282(4) 0.67747(12) 0.66407(6) 0.0215(5) Uani 1 1 d .
H15 H 1.0053 0.6828 0.6443 0.026 Uiso 1 1 calc R
C16 C 0.5629(4) 0.71784(10) 0.72749(6) 0.0171(4) Uani 1 1 d .
C17 C 0.6061(4) 0.72176(11) 0.76128(6) 0.0195(4) Uani 1 1 d .
H17 H 0.7385 0.7084 0.7700 0.023 Uiso 1 1 calc R
C18 C 0.4537(5) 0.74537(12) 0.78226(7) 0.0238(5) Uani 1 1 d .
H18 H 0.4809 0.7478 0.8054 0.029 Uiso 1 1 calc R
C19 C 0.2615(4) 0.76533(13) 0.76922(7) 0.0255(5) Uani 1 1 d .
H19 H 0.1567 0.7810 0.7836 0.031 Uiso 1 1 calc R
C20 C 0.2221(4) 0.76253(12) 0.73546(7) 0.0241(5) Uani 1 1 d .
H20 H 0.0912 0.7770 0.7267 0.029 Uiso 1 1 calc R
C21 C 0.3721(4) 0.73878(11) 0.71420(7) 0.0213(5) Uani 1 1 d .
H21 H 0.3451 0.7368 0.6910 0.026 Uiso 1 1 calc R
C22 C 1.0629(4) 0.57042(12) 0.67963(6) 0.0206(4) Uani 1 1 d .
H22 H 1.0526 0.5439 0.6998 0.025 Uiso 1 1 calc R
C23 C 1.2920(5) 0.58587(17) 0.67468(13) 0.0538(12) Uani 1 1 d .
H23A H 1.3058 0.6125 0.6552 0.081 Uiso 1 1 calc R
H23B H 1.3720 0.5477 0.6713 0.081 Uiso 1 1 calc R
H23C H 1.3473 0.6074 0.6943 0.081 Uiso 1 1 calc R
C24 C 0.9702(6) 0.53498(16) 0.65074(9) 0.0406(8) Uani 1 1 d .
H24A H 0.8213 0.5262 0.6549 0.061 Uiso 1 1 calc R
H24B H 1.0468 0.4960 0.6481 0.061 Uiso 1 1 calc R
H24C H 0.9822 0.5597 0.6305 0.061 Uiso 1 1 calc R
C25 C 0.5675(3) 0.92629(10) 0.47157(5) 0.0139(4) Uani 1 1 d .
C26 C 0.5522(4) 0.85503(10) 0.43071(6) 0.0178(4) Uani 1 1 d .
H26 H 0.5119 0.8342 0.4109 0.021 Uiso 1 1 calc R
C27 C 0.6954(4) 0.83597(11) 0.45346(6) 0.0184(4) Uani 1 1 d .
H27 H 0.7768 0.7991 0.4526 0.022 Uiso 1 1 calc R
C28 C 0.3174(4) 0.94838(11) 0.42589(5) 0.0152(4) Uani 1 1 d .
C29 C 0.1304(4) 0.92076(12) 0.41498(6) 0.0201(4) Uani 1 1 d .
H29 H 0.1100 0.8774 0.4172 0.024 Uiso 1 1 calc R
C30 C -0.0258(4) 0.95768(14) 0.40073(7) 0.0248(5) Uani 1 1 d .
H30 H -0.1534 0.9395 0.3929 0.030 Uiso 1 1 calc R
C31 C 0.0040(4) 1.02106(14) 0.39783(6) 0.0249(5) Uani 1 1 d .
H31 H -0.1055 1.0462 0.3889 0.030 Uiso 1 1 calc R
C32 C 0.1928(4) 1.04780(12) 0.40794(6) 0.0216(5) Uani 1 1 d .
H32 H 0.2138 1.0910 0.4054 0.026 Uiso 1 1 calc R
C33 C 0.3516(4) 1.01134(10) 0.42184(5) 0.0171(4) Uani 1 1 d .
H33 H 0.4821 1.0293 0.4285 0.021 Uiso 1 1 calc R
C34 C 0.8338(4) 0.87656(11) 0.50885(6) 0.0170(4) Uani 1 1 d .
H34 H 0.7920 0.9117 0.5235 0.020 Uiso 1 1 calc R
C35 C 0.7924(5) 0.81695(14) 0.52752(7) 0.0286(6) Uani 1 1 d .
H35A H 0.6417 0.8137 0.5323 0.043 Uiso 1 1 calc R
H35B H 0.8733 0.8170 0.5484 0.043 Uiso 1 1 calc R
H35C H 0.8353 0.7816 0.5140 0.043 Uiso 1 1 calc R
C36 C 1.0648(5) 0.88451(17) 0.50089(7) 0.0341(7) Uani 1 1 d .
H36A H 1.1093 0.8512 0.4861 0.051 Uiso 1 1 calc R
H36B H 1.1488 0.8831 0.5214 0.051 Uiso 1 1 calc R
H36C H 1.0857 0.9245 0.4900 0.051 Uiso 1 1 calc R
C37 C 0.3005(3) 0.54552(10) 0.46952(5) 0.0138(4) Uani 1 1 d .
C38 C 0.0561(4) 0.56689(11) 0.43025(6) 0.0187(4) Uani 1 1 d .
H38 H -0.0483 0.5614 0.4134 0.022 Uiso 1 1 calc R
C39 C 0.1295(4) 0.62113(11) 0.44215(6) 0.0182(4) Uani 1 1 d .
H39 H 0.0875 0.6613 0.4352 0.022 Uiso 1 1 calc R
C40 C 0.1354(4) 0.45617(10) 0.44120(5) 0.0146(4) Uani 1 1 d .
C41 C -0.0643(4) 0.43045(12) 0.44314(6) 0.0203(4) Uani 1 1 d .
H41 H -0.1809 0.4552 0.4494 0.024 Uiso 1 1 calc R
C42 C -0.0922(4) 0.36820(12) 0.43581(7) 0.0234(5) Uani 1 1 d .
H42 H -0.2289 0.3504 0.4368 0.028 Uiso 1 1 calc R
C43 C 0.0781(4) 0.33195(11) 0.42706(6) 0.0223(5) Uani 1 1 d .
H43 H 0.0583 0.2893 0.4222 0.027 Uiso 1 1 calc R
C44 C 0.2780(4) 0.35786(12) 0.42533(7) 0.0228(5) Uani 1 1 d .
H44 H 0.3947 0.3329 0.4194 0.027 Uiso 1 1 calc R
C45 C 0.3075(4) 0.42025(11) 0.43228(6) 0.0199(4) Uani 1 1 d .
H45 H 0.4439 0.4382 0.4310 0.024 Uiso 1 1 calc R
C46 C 0.4050(4) 0.65246(11) 0.48546(6) 0.0186(4) Uani 1 1 d .
H46 H 0.4332 0.6344 0.5079 0.022 Uiso 1 1 calc R
C47 C 0.2839(5) 0.71237(12) 0.49025(7) 0.0257(5) Uani 1 1 d .
H47A H 0.2676 0.7335 0.4689 0.039 Uiso 1 1 calc R
H47B H 0.3615 0.7391 0.5058 0.039 Uiso 1 1 calc R
H47C H 0.1445 0.7031 0.4992 0.039 Uiso 1 1 calc R
C48 C 0.6155(5) 0.66193(15) 0.46900(9) 0.0345(7) Uani 1 1 d .
H48A H 0.6870 0.6220 0.4668 0.052 Uiso 1 1 calc R
H48B H 0.7028 0.6898 0.4825 0.052 Uiso 1 1 calc R
H48C H 0.5929 0.6801 0.4470 0.052 Uiso 1 1 calc R
C49 C 0.5505(5) 0.38346(14) 0.63376(7) 0.0288(6) Uani 1 1 d .
H49A H 0.4532 0.3482 0.6302 0.035 Uiso 1 1 calc R
H49B H 0.6926 0.3706 0.6266 0.035 Uiso 1 1 calc R
Cl1 Cl 0.46472(11) 0.44716(4) 0.609514(18) 0.03090(14) Uani 1 1 d .
Cl2 Cl 0.5590(3) 0.40234(6) 0.67532(2) 0.0771(4) Uani 1 1 d .
F1 F 1.0379(4) 0.74669(8) 0.90798(5) 0.0424(5) Uani 1 1 d .
F2 F 0.7116(3) 0.75189(9) 0.88488(6) 0.0420(5) Uani 1 1 d .
F3 F 0.8539(4) 0.76668(9) 0.83466(5) 0.0427(5) Uani 1 1 d .
F4 F 1.1797(3) 0.76208(9) 0.85774(6) 0.0434(5) Uani 1 1 d .
F5 F 0.9421(3) 0.83025(7) 0.87694(4) 0.0269(3) Uani 1 1 d .
F6 F 0.9495(3) 0.68365(7) 0.86569(5) 0.0303(4) Uani 1 1 d .
F7 F 0.6151(3) 0.13317(8) 0.40435(6) 0.0414(5) Uani 1 1 d .
F8 F 0.3975(3) 0.21570(8) 0.39995(5) 0.0322(4) Uani 1 1 d .
F9 F 0.6644(3) 0.27362(8) 0.38074(5) 0.0322(4) Uani 1 1 d .
F10 F 0.8818(3) 0.19145(11) 0.38532(7) 0.0555(6) Uani 1 1 d .
F11 F 0.5776(4) 0.18411(9) 0.35563(5) 0.0463(5) Uani 1 1 d .
F12 F 0.6985(4) 0.22394(11) 0.42973(5) 0.0469(5) Uani 1 1 d .
N1 N 0.7530(4) 0.46377(10) 0.79490(5) 0.0209(4) Uani 1 1 d .
N2 N 0.5260(3) 0.53154(10) 0.80966(5) 0.0194(4) Uani 1 1 d .
N3 N 0.7157(3) 0.69100(9) 0.70596(5) 0.0162(3) Uani 1 1 d .
N4 N 0.9382(3) 0.62726(10) 0.68532(5) 0.0180(4) Uani 1 1 d .
N5 N 0.4752(3) 0.91129(9) 0.44199(5) 0.0149(3) Uani 1 1 d .
N6 N 0.7023(3) 0.87981(9) 0.47834(5) 0.0148(3) Uani 1 1 d .
N7 N 0.1623(3) 0.52078(9) 0.44729(5) 0.0147(3) Uani 1 1 d .
N8 N 0.2775(3) 0.60721(9) 0.46641(5) 0.0145(3) Uani 1 1 d .
P1 P 0.94567(10) 0.75670(3) 0.870971(16) 0.01756(11) Uani 1 1 d .
P2 P 0.63953(11) 0.20327(3) 0.392770(17) 0.02003(12) 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'
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_3
C13 Au1 C1 177.46(10) .
C25 Au2 C25 179.996(2) 3_676
C37 Au3 C37 179.998(1) 3_666
N2 C1 N1 104.9(2) .
N2 C1 Au1 125.60(18) .
N1 C1 Au1 129.31(19) .
C3 C2 N1 106.7(2) .
C3 C2 H2 126.6 .
N1 C2 H2 126.6 .
C2 C3 N2 107.1(2) .
C2 C3 H3 126.4 .
N2 C3 H3 126.4 .
C9 C4 C5 121.5(3) .
C9 C4 N1 120.3(2) .
C5 C4 N1 118.2(3) .
C6 C5 C4 118.7(4) .
C6 C5 H5 120.6 .
C4 C5 H5 120.6 .
C7 C6 C5 120.4(3) .
C7 C6 H6 119.8 .
C5 C6 H6 119.8 .
C6 C7 C8 121.1(3) .
C6 C7 H7 119.5 .
C8 C7 H7 119.5 .
C9 C8 C7 119.3(4) .
C9 C8 H8 120.4 .
C7 C8 H8 120.4 .
C4 C9 C8 119.0(3) .
C4 C9 H9 120.5 .
C8 C9 H9 120.5 .
N2 C10 C11 110.8(2) .
N2 C10 C12 109.4(2) .
C11 C10 C12 112.5(2) .
N2 C10 H10 108.0 .
C11 C10 H10 108.0 .
C12 C10 H10 108.0 .
C10 C11 H11A 109.5 .
C10 C11 H11B 109.5 .
H11A C11 H11B 109.5 .
C10 C11 H11C 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
C10 C12 H12A 109.5 .
C10 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C10 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
N4 C13 N3 105.1(2) .
N4 C13 Au1 128.95(17) .
N3 C13 Au1 125.82(17) .
C15 C14 N3 106.6(2) .
C15 C14 H14 126.7 .
N3 C14 H14 126.7 .
C14 C15 N4 106.8(2) .
C14 C15 H15 126.6 .
N4 C15 H15 126.6 .
C17 C16 C21 121.1(2) .
C17 C16 N3 119.6(2) .
C21 C16 N3 119.3(2) .
C18 C17 C16 119.4(2) .
C18 C17 H17 120.3 .
C16 C17 H17 120.3 .
C17 C18 C19 119.8(2) .
C17 C18 H18 120.1 .
C19 C18 H18 120.1 .
C20 C19 C18 120.3(2) .
C20 C19 H19 119.8 .
C18 C19 H19 119.8 .
C19 C20 C21 120.6(2) .
C19 C20 H20 119.7 .
C21 C20 H20 119.7 .
C20 C21 C16 118.8(2) .
C20 C21 H21 120.6 .
C16 C21 H21 120.6 .
N4 C22 C23 110.8(2) .
N4 C22 C24 109.8(2) .
C23 C22 C24 112.1(3) .
N4 C22 H22 108.0 .
C23 C22 H22 108.0 .
C24 C22 H22 108.0 .
C22 C23 H23A 109.5 .
C22 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
C22 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C22 C24 H24A 109.5 .
C22 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C22 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
N6 C25 N5 105.35(18) .
N6 C25 Au2 127.95(15) .
N5 C25 Au2 126.60(16) .
C27 C26 N5 106.31(19) .
C27 C26 H26 126.8 .
N5 C26 H26 126.8 .
C26 C27 N6 107.5(2) .
C26 C27 H27 126.3 .
N6 C27 H27 126.3 .
C33 C28 C29 121.1(2) .
C33 C28 N5 119.5(2) .
C29 C28 N5 119.4(2) .
C30 C29 C28 118.9(2) .
C30 C29 H29 120.6 .
C28 C29 H29 120.6 .
C31 C30 C29 120.3(2) .
C31 C30 H30 119.9 .
C29 C30 H30 119.9 .
C32 C31 C30 120.3(2) .
C32 C31 H31 119.8 .
C30 C31 H31 119.8 .
C31 C32 C33 120.0(2) .
C31 C32 H32 120.0 .
C33 C32 H32 120.0 .
C28 C33 C32 119.3(2) .
C28 C33 H33 120.4 .
C32 C33 H33 120.4 .
N6 C34 C36 110.7(2) .
N6 C34 C35 110.8(2) .
C36 C34 C35 112.1(2) .
N6 C34 H34 107.7 .
C36 C34 H34 107.7 .
C35 C34 H34 107.7 .
C34 C35 H35A 109.5 .
C34 C35 H35B 109.5 .
H35A C35 H35B 109.5 .
C34 C35 H35C 109.5 .
H35A C35 H35C 109.5 .
H35B C35 H35C 109.5 .
C34 C36 H36A 109.5 .
C34 C36 H36B 109.5 .
H36A C36 H36B 109.5 .
C34 C36 H36C 109.5 .
H36A C36 H36C 109.5 .
H36B C36 H36C 109.5 .
N8 C37 N7 105.11(18) .
N8 C37 Au3 127.44(16) .
N7 C37 Au3 127.43(16) .
C39 C38 N7 106.7(2) .
C39 C38 H38 126.7 .
N7 C38 H38 126.7 .
C38 C39 N8 106.9(2) .
C38 C39 H39 126.5 .
N8 C39 H39 126.5 .
C41 C40 C45 120.8(2) .
C41 C40 N7 119.3(2) .
C45 C40 N7 119.9(2) .
C40 C41 C42 119.4(2) .
C40 C41 H41 120.3 .
C42 C41 H41 120.3 .
C43 C42 C41 120.3(2) .
C43 C42 H42 119.8 .
C41 C42 H42 119.8 .
C42 C43 C44 120.1(2) .
C42 C43 H43 120.0 .
C44 C43 H43 120.0 .
C43 C44 C45 120.1(2) .
C43 C44 H44 119.9 .
C45 C44 H44 119.9 .
C44 C45 C40 119.3(2) .
C44 C45 H45 120.3 .
C40 C45 H45 120.3 .
N8 C46 C48 109.9(2) .
N8 C46 C47 110.9(2) .
C48 C46 C47 113.0(2) .
N8 C46 H46 107.6 .
C48 C46 H46 107.6 .
C47 C46 H46 107.6 .
C46 C47 H47A 109.5 .
C46 C47 H47B 109.5 .
H47A C47 H47B 109.5 .
C46 C47 H47C 109.5 .
H47A C47 H47C 109.5 .
H47B C47 H47C 109.5 .
C46 C48 H48A 109.5 .
C46 C48 H48B 109.5 .
H48A C48 H48B 109.5 .
C46 C48 H48C 109.5 .
H48A C48 H48C 109.5 .
H48B C48 H48C 109.5 .
Cl2 C49 Cl1 111.00(17) .
Cl2 C49 H49A 109.4 .
Cl1 C49 H49A 109.4 .
Cl2 C49 H49B 109.4 .
Cl1 C49 H49B 109.4 .
H49A C49 H49B 108.0 .
C1 N1 C2 110.3(2) .
C1 N1 C4 125.3(2) .
C2 N1 C4 124.3(2) .
C1 N2 C3 110.9(2) .
C1 N2 C10 124.4(2) .
C3 N2 C10 124.6(2) .
C13 N3 C14 110.5(2) .
C13 N3 C16 124.2(2) .
C14 N3 C16 125.3(2) .
C13 N4 C15 110.9(2) .
C13 N4 C22 123.9(2) .
C15 N4 C22 125.1(2) .
C25 N5 C26 110.31(19) .
C25 N5 C28 123.66(19) .
C26 N5 C28 126.01(19) .
C25 N6 C27 110.56(19) .
C25 N6 C34 123.66(18) .
C27 N6 C34 125.76(19) .
C37 N7 C38 110.56(19) .
C37 N7 C40 125.08(18) .
C38 N7 C40 124.31(19) .
C37 N8 C39 110.71(19) .
C37 N8 C46 123.28(19) .
C39 N8 C46 125.92(19) .
F3 P1 F4 90.70(13) .
F3 P1 F6 90.99(10) .
F4 P1 F6 90.66(10) .
F3 P1 F2 90.14(13) .
F4 P1 F2 178.98(13) .
F6 P1 F2 89.92(10) .
F3 P1 F5 89.90(10) .
F4 P1 F5 89.60(10) .
F6 P1 F5 179.07(10) .
F2 P1 F5 89.82(10) .
F3 P1 F1 179.70(14) .
F4 P1 F1 89.57(13) .
F6 P1 F1 89.13(10) .
F2 P1 F1 89.59(13) .
F5 P1 F1 89.98(9) .
F8 P2 F10 179.39(13) .
F8 P2 F7 90.52(11) .
F10 P2 F7 90.05(12) .
F8 P2 F12 89.81(12) .
F10 P2 F12 90.40(14) .
F7 P2 F12 90.83(12) .
F8 P2 F11 89.38(12) .
F10 P2 F11 90.39(14) .
F7 P2 F11 90.28(12) .
F12 P2 F11 178.63(13) .
F8 P2 F9 89.68(10) .
F10 P2 F9 89.75(11) .
F7 P2 F9 179.43(12) .
F12 P2 F9 89.71(11) .
F11 P2 F9 89.18(11) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C13 2.018(2) .
Au1 C1 2.023(2) .
Au2 C25 2.014(2) .
Au2 C25 2.014(2) 3_676
Au3 C37 2.011(2) .
Au3 C37 2.011(2) 3_666
C1 N2 1.343(3) .
C1 N1 1.362(3) .
C2 C3 1.338(5) .
C2 N1 1.389(4) .
C2 H2 0.9500 .
C3 N2 1.384(3) .
C3 H3 0.9500 .
C4 C9 1.380(4) .
C4 C5 1.401(4) .
C4 N1 1.421(4) .
C5 C6 1.378(5) .
C5 H5 0.9500 .
C6 C7 1.369(6) .
C6 H6 0.9500 .
C7 C8 1.395(6) .
C7 H7 0.9500 .
C8 C9 1.393(5) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C10 N2 1.475(3) .
C10 C11 1.519(4) .
C10 C12 1.521(4) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 N4 1.348(3) .
C13 N3 1.359(3) .
C14 C15 1.351(4) .
C14 N3 1.389(3) .
C14 H14 0.9500 .
C15 N4 1.385(3) .
C15 H15 0.9500 .
C16 C17 1.391(3) .
C16 C21 1.393(3) .
C16 N3 1.434(3) .
C17 C18 1.391(4) .
C17 H17 0.9500 .
C18 C19 1.390(4) .
C18 H18 0.9500 .
C19 C20 1.384(4) .
C19 H19 0.9500 .
C20 C21 1.389(4) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 N4 1.481(3) .
C22 C23 1.508(4) .
C22 C24 1.508(4) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 N6 1.345(3) .
C25 N5 1.362(3) .
C26 C27 1.348(3) .
C26 N5 1.390(3) .
C26 H26 0.9500 .
C27 N6 1.382(3) .
C27 H27 0.9500 .
C28 C33 1.389(3) .
C28 C29 1.394(3) .
C28 N5 1.432(3) .
C29 C30 1.391(4) .
C29 H29 0.9500 .
C30 C31 1.389(4) .
C30 H30 0.9500 .
C31 C32 1.387(4) .
C31 H31 0.9500 .
C32 C33 1.391(3) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 N6 1.480(3) .
C34 C36 1.515(4) .
C34 C35 1.518(4) .
C34 H34 1.0000 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 N8 1.348(3) .
C37 N7 1.356(3) .
C38 C39 1.348(3) .
C38 N7 1.382(3) .
C38 H38 0.9500 .
C39 N8 1.381(3) .
C39 H39 0.9500 .
C40 C41 1.387(3) .
C40 C45 1.392(3) .
C40 N7 1.428(3) .
C41 C42 1.389(4) .
C41 H41 0.9500 .
C42 C43 1.385(4) .
C42 H42 0.9500 .
C43 C44 1.389(4) .
C43 H43 0.9500 .
C44 C45 1.390(3) .
C44 H44 0.9500 .
C45 H45 0.9500 .
C46 N8 1.479(3) .
C46 C48 1.514(4) .
C46 C47 1.520(3) .
C46 H46 1.0000 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 Cl2 1.727(3) .
C49 Cl1 1.771(3) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
F1 P1 1.6120(18) .
F2 P1 1.5987(19) .
F3 P1 1.5850(18) .
F4 P1 1.589(2) .
F5 P1 1.6088(16) .
F6 P1 1.5944(17) .
F7 P2 1.5947(18) .
F8 P2 1.5897(18) .
F9 P2 1.6053(18) .
F10 P2 1.591(2) .
F11 P2 1.600(2) .
F12 P2 1.597(2) .
