#------------------------------------------------------------------------------
#$Date: 2019-11-23 04:50:56 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232167 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/71/4347100.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_4347100
loop_
_publ_author_name
'Penney, Alexander A.'
'Sizov, Vladimir V.'
'Grachova, Elena V.'
'Krupenya, Dmitry V.'
'Gurzhiy, Vladislav V.'
'Starova, Galina L.'
'Tunik, Sergey P.'
_publ_section_title
;
 Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the
 Excited State To Modulate the Emission in a Series of Dinuclear
 Homoleptic Gold(I)-NHC Complexes.
;
_journal_issue                   10
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4720
_journal_page_last               4732
_journal_paper_doi               10.1021/acs.inorgchem.5b02722
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C62 H56 Au2 N8, 2(F6 P), 2.5(C3 H6 O)'
_chemical_formula_sum            'C70.5 H71 Au2 F12 N8 O2.5 P2'
_chemical_formula_weight         1754.22
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-05-13
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                90
_cell_angle_beta                 96.140(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.0470(10)
_cell_length_b                   12.4775(3)
_cell_length_c                   20.7383(5)
_cell_measurement_reflns_used    5177
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.9240
_cell_measurement_theta_min      2.8850
_cell_volume                     6958.6(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -22.00   26.00   1.0000   45.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777   57.0000  120.0000 48

#__ type_ start__ end____ width___ exp.time_
  2 omega   35.00   61.00   1.0000   45.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  178.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
  3 omega  -23.00   52.00   1.0000   45.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  -99.0000 -150.0000 75

#__ type_ start__ end____ width___ exp.time_
  4 omega   32.00   84.00   1.0000   45.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152 -178.0000  120.0000 52

#__ type_ start__ end____ width___ exp.time_
  5 omega  -21.00   38.00   1.0000   45.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  -77.0000  -90.0000 59
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0041354000
_diffrn_orient_matrix_UB_12      -0.0547702000
_diffrn_orient_matrix_UB_13      -0.0069262000
_diffrn_orient_matrix_UB_21      0.0245405000
_diffrn_orient_matrix_UB_22      0.0039870000
_diffrn_orient_matrix_UB_23      0.0157835000
_diffrn_orient_matrix_UB_31      -0.0088004000
_diffrn_orient_matrix_UB_32      -0.0147264000
_diffrn_orient_matrix_UB_33      0.0297329000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0616
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17347
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.997
_diffrn_reflns_theta_min         2.612
_exptl_absorpt_coefficient_mu    4.342
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87363
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'translucent colorless'
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3464
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.368
_refine_diff_density_min         -2.709
_refine_diff_density_rms         0.127
_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     453
_refine_ls_number_reflns         7473
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0701
_refine_ls_R_factor_gt           0.0412
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0176P)²+32.5344P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0838
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5398
_reflns_number_total             7473
_cod_data_source_file            ic5b02722_si_002.cif
_cod_data_source_block           Compound_9
_cod_original_cell_volume        6958.6(3)
_cod_original_formula_sum        'C70.50 H71 Au2 F12 N8 O2.50 P2'
_cod_database_code               4347100
_shelxl_version_number           2013-4
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C36-C35 = C32D-C34D = C33D-C32D
 1.45 with sigma of 0.02
 O1D-C32D
 1.25 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C23) = Uanis(C22) = Uanis(C21) = Uanis(C20)
Uanis(C33D) = Uanis(C32D) = Uanis(O1D) = Uanis(C34D)
Uanis(O1) = Uanis(O1D)
Uanis(C36) = Uanis(C35)
4. Others
 Fixed Sof: C35(0.5) C36(0.5) H36A(0.5) H36B(0.5) H36C(0.5) C34D(0.5)
 H34A(0.5) H34B(0.5) H34C(0.5) O1D(0.5) C32D(0.5) C33D(0.5) H33A(0.5) H33B(0.5)
 H33C(0.5) C34(0.5) H34D(0.5) H34E(0.5) H34F(0.5) C33(0.5) H33D(0.5) H33E(0.5)
 H33F(0.5) C32(0.5) O1(0.5) O2(0.5) C37(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C15(H15A,H15B), C16(H16A,H16B), C25(H25A,H25B), C17(H17A,H17B)
5.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C3(H3), C14(H14), C13(H13), C6(H6), C12(H12), C5(H5), C11(H11),
 C31(H31), C28(H28), C27(H27), C29(H29), C30(H30), C4(H4), C20(H20), C21(H21),
 C23(H23), C22(H22)
5.c Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C34D(H34A,H34B,H34C), C33D(H33A,H33B,H33C), C34(H34D,
 H34E,H34F), C33(H33D,H33E,H33F)
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.55388(2) 1.02083(2) 0.72546(2) 0.03570(8) Uani 1 1 d . . . .
N1 N 0.48708(18) 0.9041(3) 0.62205(19) 0.0323(11) Uani 1 1 d . . . .
N2 N 0.48747(19) 1.0749(4) 0.6025(2) 0.0381(12) Uani 1 1 d . . . .
N3 N 0.6360(2) 0.9704(4) 0.8317(2) 0.0446(13) Uani 1 1 d . . . .
N4 N 0.6104(2) 1.1336(4) 0.8407(2) 0.0512(15) Uani 1 1 d . . . .
C1 C 0.5066(2) 0.9980(4) 0.6445(2) 0.0343(14) Uani 1 1 d . . . .
C2 C 0.4553(2) 0.9192(4) 0.5652(2) 0.0356(14) Uani 1 1 d . . . .
C3 C 0.4260(2) 0.8493(5) 0.5257(3) 0.0447(16) Uani 1 1 d . . . .
H3 H 0.4247 0.7764 0.5348 0.054 Uiso 1 1 calc R . . .
C4 C 0.3987(3) 0.8939(6) 0.4719(3) 0.0571(19) Uani 1 1 d . . . .
H4 H 0.3783 0.8498 0.4444 0.069 Uiso 1 1 calc R . . .
C5 C 0.4010(3) 1.0034(5) 0.4579(3) 0.0542(19) Uani 1 1 d . . . .
H5 H 0.3828 1.0299 0.4208 0.065 Uiso 1 1 calc R . . .
C6 C 0.4293(2) 1.0723(5) 0.4975(3) 0.0453(16) Uani 1 1 d . . . .
H6 H 0.4305 1.1451 0.4883 0.054 Uiso 1 1 calc R . . .
C7 C 0.4561(2) 1.0289(5) 0.5522(2) 0.0381(14) Uani 1 1 d . . . .
C8 C 0.4982(2) 0.7987(4) 0.6515(2) 0.0335(14) Uani 1 1 d . . . .
H8A H 0.4679 0.7565 0.6484 0.040 Uiso 1 1 calc R . . .
H8B H 0.5095 0.8082 0.6971 0.040 Uiso 1 1 calc R . . .
C9 C 0.5373(2) 0.7381(4) 0.6196(2) 0.0328(13) Uani 1 1 d . . . .
C10 C 0.5876(2) 0.7601(5) 0.6352(2) 0.0381(14) Uani 1 1 d . . . .
H10 H 0.5975 0.8120 0.6661 0.046 Uiso 1 1 calc R . . .
C11 C 0.6228(3) 0.7051(5) 0.6050(3) 0.0455(16) Uani 1 1 d . . . .
H11 H 0.6564 0.7200 0.6159 0.055 Uiso 1 1 calc R . . .
C12 C 0.6088(3) 0.6282(5) 0.5588(3) 0.0488(18) Uani 1 1 d . . . .
H12 H 0.6328 0.5924 0.5380 0.059 Uiso 1 1 calc R . . .
C13 C 0.5593(3) 0.6049(5) 0.5438(3) 0.0452(16) Uani 1 1 d . . . .
H13 H 0.5499 0.5526 0.5129 0.054 Uiso 1 1 calc R . . .
C14 C 0.5231(2) 0.6583(4) 0.5739(2) 0.0377(14) Uani 1 1 d . . . .
H14 H 0.4897 0.6412 0.5639 0.045 Uiso 1 1 calc R . . .
C15 C 0.4966(3) 1.1903(4) 0.6111(3) 0.0517(19) Uani 1 1 d . . . .
H15A H 0.5133 1.2161 0.5750 0.062 Uiso 1 1 calc R . . .
H15B H 0.5190 1.2008 0.6503 0.062 Uiso 1 1 calc R . . .
C16 C 0.4506(3) 1.2582(5) 0.6156(3) 0.062(2) Uani 1 1 d . . . .
H16A H 0.4298 1.2525 0.5747 0.075 Uiso 1 1 calc R . . .
H16B H 0.4610 1.3324 0.6206 0.075 Uiso 1 1 calc R . . .
C17 C 0.4187(3) 1.2312(5) 0.6702(3) 0.068(2) Uani 1 1 d . . . .
H17A H 0.4403 1.2240 0.7105 0.081 Uiso 1 1 calc R . . .
H17B H 0.3963 1.2905 0.6753 0.081 Uiso 1 1 calc R . . .
C18 C 0.6032(3) 1.0419(5) 0.8049(3) 0.0457(17) Uani 1 1 d . . . .
C19 C 0.6649(3) 1.0139(9) 0.8846(4) 0.0887(15) Uani 1 1 d . . . .
C20 C 0.7028(3) 0.9701(8) 0.9279(3) 0.0887(15) Uani 1 1 d . . . .
H20 H 0.7135 0.8998 0.9241 0.106 Uiso 1 1 calc R . . .
C21 C 0.7235(3) 1.0378(8) 0.9770(4) 0.0887(15) Uani 1 1 d . . . .
H21 H 0.7484 1.0119 1.0074 0.106 Uiso 1 1 calc R . . .
C22 C 0.7077(3) 1.1421(8) 0.9814(4) 0.0887(15) Uani 1 1 d . . . .
H22 H 0.7228 1.1846 1.0147 0.106 Uiso 1 1 calc R . . .
C23 C 0.6712(3) 1.1864(8) 0.9396(3) 0.0887(15) Uani 1 1 d . . . .
H23 H 0.6612 1.2572 0.9434 0.106 Uiso 1 1 calc R . . .
C24 C 0.6494(3) 1.1187(7) 0.8902(3) 0.067(2) Uani 1 1 d . . . .
C25 C 0.6430(2) 0.8631(5) 0.8060(3) 0.0438(16) Uani 1 1 d . . . .
H25A H 0.6119 0.8393 0.7827 0.053 Uiso 1 1 calc R . . .
H25B H 0.6511 0.8142 0.8420 0.053 Uiso 1 1 calc R . . .
C26 C 0.6834(2) 0.8574(5) 0.7612(3) 0.0451(16) Uani 1 1 d . . . .
C27 C 0.6952(2) 0.9441(6) 0.7232(3) 0.0498(17) Uani 1 1 d . . . .
H27 H 0.6781 1.0084 0.7256 0.060 Uiso 1 1 calc R . . .
C28 C 0.7323(3) 0.9354(7) 0.6819(3) 0.063(2) Uani 1 1 d . . . .
H28 H 0.7407 0.9941 0.6577 0.076 Uiso 1 1 calc R . . .
C29 C 0.7567(3) 0.8376(7) 0.6771(4) 0.067(2) Uani 1 1 d . . . .
H29 H 0.7814 0.8309 0.6495 0.080 Uiso 1 1 calc R . . .
C30 C 0.7441(3) 0.7509(6) 0.7133(4) 0.066(2) Uani 1 1 d . . . .
H30 H 0.7603 0.6858 0.7097 0.080 Uiso 1 1 calc R . . .
C31 C 0.7078(3) 0.7601(6) 0.7549(3) 0.0576(19) Uani 1 1 d . . . .
H31 H 0.6994 0.7009 0.7788 0.069 Uiso 1 1 calc R . . .
P1 P 0.63554(6) 0.44058(13) 0.39956(8) 0.0417(4) Uani 1 1 d . . . .
F1 F 0.66660(18) 0.5369(4) 0.4319(2) 0.113(2) Uani 1 1 d . . . .
F2 F 0.58839(17) 0.5131(4) 0.3935(2) 0.0907(15) Uani 1 1 d . . . .
F3 F 0.62213(19) 0.4049(3) 0.46823(19) 0.0855(15) Uani 1 1 d . . . .
F4 F 0.64808(19) 0.4759(4) 0.3301(2) 0.0975(17) Uani 1 1 d . . . .
F5 F 0.68256(18) 0.3677(5) 0.4056(2) 0.141(3) Uani 1 1 d . . . .
F6 F 0.60364(14) 0.3460(3) 0.36596(19) 0.0667(11) Uani 1 1 d . . . .
O1D O 0.3627(7) 1.2107(15) 0.8127(8) 0.076(2) Uani 0.5 1 d D P A 2
C32D C 0.3539(8) 1.3026(17) 0.8355(10) 0.076(2) Uani 0.5 1 d D P A 2
C33D C 0.3125(8) 1.3268(19) 0.8761(10) 0.076(2) Uani 0.5 1 d . P A 2
H33A H 0.3260 1.3581 0.9165 0.115 Uiso 0.5 1 calc GR P A 2
H33B H 0.2953 1.2617 0.8844 0.115 Uiso 0.5 1 calc GR P A 2
H33C H 0.2896 1.3762 0.8534 0.115 Uiso 0.5 1 calc GR P A 2
C34D C 0.3833(6) 1.3958(14) 0.8152(7) 0.076(2) Uani 0.5 1 d . P A 2
H34A H 0.4134 1.3703 0.7996 0.115 Uiso 0.5 1 calc GR P A 2
H34B H 0.3915 1.4423 0.8516 0.115 Uiso 0.5 1 calc GR P A 2
H34C H 0.3640 1.4345 0.7813 0.115 Uiso 0.5 1 calc GR P A 2
O1 O 0.3531(7) 1.2343(17) 0.8261(8) 0.076(2) Uani 0.5 1 d . P B 1
C32 C 0.3240(8) 1.2907(14) 0.8502(9) 0.073(6) Uani 0.5 1 d . P B 1
C33 C 0.2942(6) 1.2454(15) 0.9014(10) 0.094(7) Uani 0.5 1 d . P B 1
H33D H 0.2976 1.2911 0.9388 0.141 Uiso 0.5 1 calc GR P B 1
H33E H 0.3062 1.1750 0.9133 0.141 Uiso 0.5 1 calc GR P B 1
H33F H 0.2598 1.2412 0.8845 0.141 Uiso 0.5 1 calc GR P B 1
C34 C 0.3157(5) 1.4089(12) 0.8319(9) 0.075(5) Uani 0.5 1 d . P B 1
H34D H 0.2830 1.4177 0.8096 0.113 Uiso 0.5 1 calc GR P B 1
H34E H 0.3400 1.4310 0.8042 0.113 Uiso 0.5 1 calc GR P B 1
H34F H 0.3188 1.4518 0.8706 0.113 Uiso 0.5 1 calc GR P B 1
O2 O 0.5083(9) 1.3641(6) 0.7611(10) 0.054(4) Uani 0.5 1 d . P C 1
C35 C 0.4874(5) 1.4519(12) 0.7671(6) 0.058(3) Uani 0.5 1 d D P C 1
C36 C 0.4407(5) 1.4578(12) 0.7970(6) 0.058(3) Uani 0.5 1 d D P C 1
H36A H 0.4159 1.4931 0.7680 0.087 Uiso 0.5 1 calc GR P C 1
H36B H 0.4461 1.4975 0.8368 0.087 Uiso 0.5 1 calc GR P C 1
H36C H 0.4297 1.3867 0.8059 0.087 Uiso 0.5 1 calc GR P C 1
C37 C 0.4901(13) 1.5575(11) 0.749(2) 0.060(10) Uani 0.5 1 d . P C 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'
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'
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
C1 Au1 Au1 75.26(15) . 2_656
C1 Au1 C18 178.0(2) . .
C18 Au1 Au1 106.62(16) . 2_656
C1 N1 C2 111.0(4) . .
C1 N1 C8 125.5(5) . .
C2 N1 C8 123.5(4) . .
C1 N2 C7 110.4(5) . .
C1 N2 C15 124.4(5) . .
C7 N2 C15 125.1(5) . .
C18 N3 C19 111.1(7) . .
C18 N3 C25 124.5(5) . .
C19 N3 C25 124.2(7) . .
C18 N4 C17 125.0(6) . 2_656
C18 N4 C24 109.8(6) . .
C24 N4 C17 125.2(6) . 2_656
N1 C1 Au1 126.8(4) . .
N1 C1 N2 106.5(5) . .
N2 C1 Au1 126.7(4) . .
N1 C2 C7 105.9(5) . .
C3 C2 N1 132.5(5) . .
C3 C2 C7 121.5(5) . .
C2 C3 H3 121.8 . .
C4 C3 C2 116.3(6) . .
C4 C3 H3 121.8 . .
C3 C4 H4 119.1 . .
C3 C4 C5 121.9(6) . .
C5 C4 H4 119.1 . .
C4 C5 H5 119.2 . .
C6 C5 C4 121.6(6) . .
C6 C5 H5 119.2 . .
C5 C6 H6 121.4 . .
C5 C6 C7 117.1(6) . .
C7 C6 H6 121.4 . .
N2 C7 C2 106.3(5) . .
C6 C7 N2 132.3(6) . .
C6 C7 C2 121.4(6) . .
N1 C8 H8A 109.0 . .
N1 C8 H8B 109.0 . .
N1 C8 C9 112.9(4) . .
H8A C8 H8B 107.8 . .
C9 C8 H8A 109.0 . .
C9 C8 H8B 109.0 . .
C10 C9 C8 120.9(5) . .
C10 C9 C14 119.2(5) . .
C14 C9 C8 119.9(6) . .
C9 C10 H10 119.9 . .
C11 C10 C9 120.2(6) . .
C11 C10 H10 119.9 . .
C10 C11 H11 119.7 . .
C10 C11 C12 120.7(7) . .
C12 C11 H11 119.7 . .
C11 C12 H12 120.2 . .
C13 C12 C11 119.5(6) . .
C13 C12 H12 120.2 . .
C12 C13 H13 119.5 . .
C12 C13 C14 121.0(6) . .
C14 C13 H13 119.5 . .
C9 C14 H14 120.3 . .
C13 C14 C9 119.3(6) . .
C13 C14 H14 120.3 . .
N2 C15 H15A 108.5 . .
N2 C15 H15B 108.5 . .
N2 C15 C16 115.3(6) . .
H15A C15 H15B 107.5 . .
C16 C15 H15A 108.5 . .
C16 C15 H15B 108.5 . .
C15 C16 H16A 108.1 . .
C15 C16 H16B 108.1 . .
C15 C16 C17 117.0(5) . .
H16A C16 H16B 107.3 . .
C17 C16 H16A 108.1 . .
C17 C16 H16B 108.1 . .
N4 C17 C16 114.0(5) 2_656 .
N4 C17 H17A 108.7 2_656 .
N4 C17 H17B 108.7 2_656 .
C16 C17 H17A 108.7 . .
C16 C17 H17B 108.7 . .
H17A C17 H17B 107.6 . .
N3 C18 Au1 127.0(4) . .
N3 C18 N4 106.5(6) . .
N4 C18 Au1 126.4(5) . .
N3 C19 C20 131.8(10) . .
C24 C19 N3 106.6(8) . .
C24 C19 C20 121.6(8) . .
C19 C20 H20 121.9 . .
C21 C20 C19 116.2(10) . .
C21 C20 H20 121.9 . .
C20 C21 H21 119.4 . .
C22 C21 C20 121.2(10) . .
C22 C21 H21 119.4 . .
C21 C22 H22 118.3 . .
C23 C22 C21 123.5(9) . .
C23 C22 H22 118.3 . .
C22 C23 H23 122.0 . .
C22 C23 C24 116.1(10) . .
C24 C23 H23 122.0 . .
N4 C24 C23 132.6(9) . .
C19 C24 N4 106.0(6) . .
C19 C24 C23 121.4(9) . .
N3 C25 H25A 108.9 . .
N3 C25 H25B 108.9 . .
N3 C25 C26 113.4(5) . .
H25A C25 H25B 107.7 . .
C26 C25 H25A 108.9 . .
C26 C25 H25B 108.9 . .
C27 C26 C25 122.3(6) . .
C31 C26 C25 118.6(6) . .
C31 C26 C27 119.0(6) . .
C26 C27 H27 119.7 . .
C28 C27 C26 120.6(7) . .
C28 C27 H27 119.7 . .
C27 C28 H28 120.4 . .
C27 C28 C29 119.3(7) . .
C29 C28 H28 120.4 . .
C28 C29 H29 119.9 . .
C30 C29 C28 120.1(7) . .
C30 C29 H29 119.9 . .
C29 C30 H30 119.7 . .
C31 C30 C29 120.5(7) . .
C31 C30 H30 119.7 . .
C26 C31 H31 119.8 . .
C30 C31 C26 120.4(7) . .
C30 C31 H31 119.8 . .
F1 P1 F4 91.0(3) . .
F1 P1 F6 178.6(3) . .
F2 P1 F1 89.2(3) . .
F2 P1 F3 88.4(3) . .
F2 P1 F4 91.0(3) . .
F2 P1 F6 89.7(3) . .
F3 P1 F1 89.7(3) . .
F3 P1 F4 179.0(3) . .
F3 P1 F6 91.2(2) . .
F4 P1 F6 88.1(2) . .
F5 P1 F1 91.0(3) . .
F5 P1 F2 179.8(4) . .
F5 P1 F3 91.6(3) . .
F5 P1 F4 89.0(3) . .
F5 P1 F6 90.1(3) . .
O1D C32D C33D 125(2) . .
O1D C32D C34D 118.0(19) . .
C34D C32D C33D 117.0(16) . .
C32D C33D H33A 109.5 . .
C32D C33D H33B 109.5 . .
C32D C33D H33C 109.5 . .
H33A C33D H33B 109.5 . .
H33A C33D H33C 109.5 . .
H33B C33D H33C 109.5 . .
C32D C34D H34A 109.5 . .
C32D C34D H34B 109.5 . .
C32D C34D H34C 109.5 . .
H34A C34D H34B 109.5 . .
H34A C34D H34C 109.5 . .
H34B C34D H34C 109.5 . .
O1 C32 C33 119.6(19) . .
O1 C32 C34 123(2) . .
C33 C32 C34 117.3(19) . .
C32 C33 H33D 109.5 . .
C32 C33 H33E 109.5 . .
C32 C33 H33F 109.5 . .
H33D C33 H33E 109.5 . .
H33D C33 H33F 109.5 . .
H33E C33 H33F 109.5 . .
C32 C34 H34D 109.5 . .
C32 C34 H34E 109.5 . .
C32 C34 H34F 109.5 . .
H34D C34 H34E 109.5 . .
H34D C34 H34F 109.5 . .
H34E C34 H34F 109.5 . .
O2 O2 C35 77(3) 2_656 .
O2 O2 C35 75(2) 2_656 2_656
C35 O2 C35 48.9(12) . 2_656
O2 C35 O2 28.3(11) . 2_656
O2 C35 C36 111.6(17) 2_656 .
O2 C35 C36 120.5(18) . .
O2 C35 C37 141(3) . .
O2 C35 C37 127(2) 2_656 2_656
O2 C35 C37 135(2) 2_656 .
O2 C35 C37 123(2) . 2_656
C35 C35 O2 65.9(15) 2_656 .
C35 C35 O2 65.2(15) 2_656 2_656
C35 C35 C36 162(2) 2_656 .
C35 C35 C37 76(2) 2_656 .
C35 C35 C37 62.2(18) 2_656 2_656
C36 C35 C37 115.9(18) . 2_656
C37 C35 C36 98(2) . .
C37 C35 C37 21(3) . 2_656
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36B 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C35 C37 C35 41.8(10) . 2_656
C37 C37 C35 65(3) 2_656 2_656
C37 C37 C35 94(3) 2_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 Au1 3.1883(5) 2_656
Au1 C1 2.020(6) .
Au1 C18 2.024(7) .
N1 C1 1.347(7) .
N1 C2 1.396(7) .
N1 C8 1.468(6) .
N2 C1 1.360(7) .
N2 C7 1.395(7) .
N2 C15 1.469(7) .
N3 C18 1.336(8) .
N3 C19 1.388(9) .
N3 C25 1.461(8) .
N4 C17 1.454(9) 2_656
N4 C18 1.366(7) .
N4 C24 1.403(9) .
C2 C3 1.386(8) .
C2 C7 1.396(7) .
C3 H3 0.9300 .
C3 C4 1.386(8) .
C4 H4 0.9300 .
C4 C5 1.399(9) .
C5 H5 0.9300 .
C5 C6 1.365(9) .
C6 H6 0.9300 .
C6 C7 1.389(8) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8 C9 1.508(7) .
C9 C10 1.393(8) .
C9 C14 1.400(7) .
C10 H10 0.9300 .
C10 C11 1.377(8) .
C11 H11 0.9300 .
C11 C12 1.380(8) .
C12 H12 0.9300 .
C12 C13 1.374(9) .
C13 H13 0.9300 .
C13 C14 1.388(8) .
C14 H14 0.9300 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 C16 1.516(9) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 C17 1.532(8) .
C17 N4 1.454(9) 2_656
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C19 C20 1.399(12) .
C19 C24 1.382(12) .
C20 H20 0.9300 .
C20 C21 1.394(10) .
C21 H21 0.9300 .
C21 C22 1.376(12) .
C22 H22 0.9300 .
C22 C23 1.360(12) .
C23 H23 0.9300 .
C23 C24 1.408(9) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C25 C26 1.512(8) .
C26 C27 1.394(8) .
C26 C31 1.394(9) .
C27 H27 0.9300 .
C27 C28 1.393(8) .
C28 H28 0.9300 .
C28 C29 1.394(10) .
C29 H29 0.9300 .
C29 C30 1.380(10) .
C30 H30 0.9300 .
C30 C31 1.379(9) .
C31 H31 0.9300 .
P1 F1 1.575(4) .
P1 F2 1.558(4) .
P1 F3 1.571(4) .
P1 F4 1.578(5) .
P1 F5 1.557(4) .
P1 F6 1.579(4) .
O1D C32D 1.272(16) .
C32D C33D 1.50(2) .
C32D C34D 1.50(3) .
C33D H33A 0.9600 .
C33D H33B 0.9600 .
C33D H33C 0.9600 .
C34D H34A 0.9600 .
C34D H34B 0.9600 .
C34D H34C 0.9600 .
O1 C32 1.20(2) .
C32 C33 1.51(3) .
C32 C34 1.53(2) .
C33 H33D 0.9600 .
C33 H33E 0.9600 .
C33 H33F 0.9600 .
C34 H34D 0.9600 .
C34 H34E 0.9600 .
C34 H34F 0.9600 .
O2 O2 0.61(2) 2_656
O2 C35 1.24(2) .
O2 C35 1.252(19) 2_656
C35 O2 1.252(19) 2_656
C35 C35 1.03(2) 2_656
C35 C36 1.467(13) .
C35 C37 1.51(2) 2_656
C35 C37 1.37(3) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C35 1.51(2) 2_656
C37 C37 0.53(7) 2_656
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_4
N1 C2 C3 C4 -179.9(6) . .
N1 C2 C7 N2 -1.1(6) . .
N1 C2 C7 C6 178.3(5) . .
N1 C8 C9 C10 80.6(6) . .
N1 C8 C9 C14 -99.6(6) . .
N2 C15 C16 C17 58.7(8) . .
N3 C19 C20 C21 -178.7(7) . .
N3 C19 C24 N4 1.3(8) . .
N3 C19 C24 C23 179.7(6) . .
N3 C25 C26 C27 -29.9(8) . .
N3 C25 C26 C31 153.9(6) . .
C1 N1 C2 C3 -177.9(6) . .
C1 N1 C2 C7 0.6(6) . .
C1 N1 C8 C9 -97.3(6) . .
C1 N2 C7 C2 1.3(6) . .
C1 N2 C7 C6 -178.0(6) . .
C1 N2 C15 C16 -119.8(6) . .
C2 N1 C1 Au1 179.2(4) . .
C2 N1 C1 N2 0.1(6) . .
C2 N1 C8 C9 81.0(7) . .
C2 C3 C4 C5 0.6(10) . .
C3 C2 C7 N2 177.6(5) . .
C3 C2 C7 C6 -3.0(9) . .
C3 C4 C5 C6 -1.7(11) . .
C4 C5 C6 C7 0.4(10) . .
C5 C6 C7 N2 -179.0(6) . .
C5 C6 C7 C2 1.8(9) . .
C7 N2 C1 Au1 -179.9(4) . .
C7 N2 C1 N1 -0.9(6) . .
C7 N2 C15 C16 56.5(7) . .
C7 C2 C3 C4 1.7(9) . .
C8 N1 C1 Au1 -2.3(8) . .
C8 N1 C1 N2 178.6(5) . .
C8 N1 C2 C3 3.6(10) . .
C8 N1 C2 C7 -177.9(5) . .
C8 C9 C10 C11 -179.0(5) . .
C8 C9 C14 C13 178.4(5) . .
C9 C10 C11 C12 0.4(8) . .
C10 C9 C14 C13 -1.8(8) . .
C10 C11 C12 C13 -1.3(8) . .
C11 C12 C13 C14 0.6(9) . .
C12 C13 C14 C9 1.0(8) . .
C14 C9 C10 C11 1.2(8) . .
C15 N2 C1 Au1 -3.2(8) . .
C15 N2 C1 N1 175.9(5) . .
C15 N2 C7 C2 -175.5(5) . .
C15 N2 C7 C6 5.2(10) . .
C15 C16 C17 N4 -73.7(9) . 2_656
C17 N4 C18 Au1 3.9(8) 2_656 .
C17 N4 C18 N3 -177.7(5) 2_656 .
C17 N4 C24 C19 177.3(6) 2_656 .
C17 N4 C24 C23 -0.9(11) 2_656 .
C18 N3 C19 C20 178.7(8) . .
C18 N3 C19 C24 -0.6(8) . .
C18 N3 C25 C26 93.1(7) . .
C18 N4 C24 C19 -1.6(7) . .
C18 N4 C24 C23 -179.8(7) . .
C19 N3 C18 Au1 178.1(4) . .
C19 N3 C18 N4 -0.3(7) . .
C19 N3 C25 C26 -82.2(7) . .
C19 C20 C21 C22 -1.0(11) . .
C20 C19 C24 N4 -178.1(6) . .
C20 C19 C24 C23 0.4(12) . .
C20 C21 C22 C23 0.6(13) . .
C21 C22 C23 C24 0.2(12) . .
C22 C23 C24 N4 177.3(7) . .
C22 C23 C24 C19 -0.7(11) . .
C24 N4 C18 Au1 -177.3(4) . .
C24 N4 C18 N3 1.2(6) . .
C24 C19 C20 C21 0.5(11) . .
C25 N3 C18 Au1 2.2(8) . .
C25 N3 C18 N4 -176.2(5) . .
C25 N3 C19 C20 -5.5(12) . .
C25 N3 C19 C24 175.2(5) . .
C25 C26 C27 C28 -179.2(6) . .
C25 C26 C31 C30 178.6(6) . .
C26 C27 C28 C29 2.0(11) . .
C27 C26 C31 C30 2.2(10) . .
C27 C28 C29 C30 -0.2(11) . .
C28 C29 C30 C31 -0.5(12) . .
C29 C30 C31 C26 -0.5(11) . .
C31 C26 C27 C28 -3.0(10) . .
O2 O2 C35 C35 -82(5) 2_656 2_656
O2 O2 C35 C36 79(6) 2_656 .
O2 O2 C35 C37 -93(6) 2_656 .
O2 O2 C35 C37 -107(5) 2_656 2_656
O2 C35 C37 C35 11(3) . 2_656
O2 C35 C37 C35 -31(2) 2_656 2_656
O2 C35 C37 C37 -76(11) 2_656 2_656
O2 C35 C37 C37 -34(13) . 2_656
C35 O2 C35 O2 82(5) 2_656 2_656
C35 O2 C35 C36 161(3) 2_656 .
C35 O2 C35 C37 -11(3) 2_656 .
C35 O2 C35 C37 -25(2) 2_656 2_656
C35 C35 C37 C37 -45(10) 2_656 2_656
C36 C35 C37 C35 -163(2) . 2_656
C36 C35 C37 C37 152(10) . 2_656
C37 C35 C37 C35 45(10) 2_656 2_656
