#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:17:39 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224462 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/89/7048992.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_7048992
loop_
_publ_author_name
'Bachmann, Michael'
'Fessler, Reto'
'Blacque, Olivier'
'Venkatesan, Koushik'
_publ_section_title
;
 Towards blue emitting monocyclometalated gold(iii) complexes - synthesis,
 characterization and photophysical investigations.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7320
_journal_page_last               7330
_journal_paper_doi               10.1039/c8dt05034a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C24 H7 Au F13 N O, C H2 Cl2'
_chemical_formula_sum            'C25 H9 Au Cl2 F13 N O'
_chemical_formula_weight         854.20
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2018-09-21
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-09-24 deposited with the CCDC.
2019-02-12 downloaded from the CCDC.
;
_cell_angle_alpha                99.6228(17)
_cell_angle_beta                 94.9371(16)
_cell_angle_gamma                95.3130(15)
_cell_formula_units_Z            2
_cell_length_a                   8.93520(16)
_cell_length_b                   11.1309(2)
_cell_length_c                   13.2328(3)
_cell_measurement_reflns_used    17915
_cell_measurement_temperature    183(1)
_cell_measurement_theta_max      31.9850
_cell_measurement_theta_min      2.6380
_cell_volume                     1285.07(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.13a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.13a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.13a (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015b)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015a)'
_diffrn_ambient_temperature      183(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3801
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -7.00  96.00   1.00   35.00    --   19.62  37.00   0.00  103
  2  ω    -62.00  66.00   1.00   35.00    --   19.62 -19.00 150.00  128
  3  ω    -14.00  98.00   1.00   35.00    --   19.62  77.00  90.00  112
  4  ω    -78.00 -23.00   1.00   35.00    --  -20.24 125.00-117.09   55
  5  ω    -76.00 -21.00   1.00   35.00    --  -20.24 122.00 149.42   55
  6  ω    -10.00  94.00   1.00   35.00    --   19.62  57.00-150.00  104
  7  ω    -57.00  46.00   1.00   35.00    --   19.62 -37.00   0.00  103
  8  ω    -20.00  62.00   1.00   35.00    --   19.62 -99.00 -30.00   82
  9  ω    -10.00  33.00   1.00   35.00    --   19.62  57.00 -30.00   43
 10  ω   -109.00 -55.00   1.00   35.00    --  -20.24 178.00 -30.00   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0276991000
_diffrn_orient_matrix_UB_12      0.0312721000
_diffrn_orient_matrix_UB_13      0.0445972000
_diffrn_orient_matrix_UB_21      0.0428117000
_diffrn_orient_matrix_UB_22      -0.0333225000
_diffrn_orient_matrix_UB_23      0.0310679000
_diffrn_orient_matrix_UB_31      0.0618446000
_diffrn_orient_matrix_UB_32      0.0462518000
_diffrn_orient_matrix_UB_33      0.0057952000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            31483
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.507
_diffrn_reflns_theta_min         2.217
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    6.050
_exptl_absorpt_correction_T_max  0.865
_exptl_absorpt_correction_T_min  0.442
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.13a (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.208
_exptl_crystal_description       plate
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.218
_refine_diff_density_min         -1.098
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         7838
_refine_ls_number_restraints     41
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0265P)²+0.8528P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0562
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7320
_reflns_number_total             7838
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt05034a2.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 7048983--7048998.cif.'
_cod_database_code               7048992
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.889
_shelx_estimated_absorpt_t_min   0.378
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Shared sites
{N1A, C7B}
{N1B, C7A}
3. Restrained distances
 C12A-F1A \\sim C12A-F2A \\sim C12A-F3A \\sim C12B-F1B \\sim C12B-F2B \\sim
C12B-F3B
 with sigma of 0.01
 C25A-Cl1 \\sim C25A-Cl2A
 with sigma of 0.01
 C25B-Cl2B \\sim C25B-Cl1
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
F1A \\sim F1B: within 3A with sigma of 0.005 and sigma for terminal atoms of
0.01
F2A \\sim F2B: within 3A with sigma of 0.005 and sigma for terminal atoms of
0.01
C25A \\sim C25B: within 3A with sigma of 0.01 and sigma for terminal atoms of
0.01
Cl2A \\sim Cl2B: within 3A with sigma of 0.01 and sigma for terminal atoms of
0.01
Uanis(N1A) = Uanis(C7B)
Uanis(N1B) = Uanis(C7A)
5. Others
 Sof(H1B)=Sof(C7B)=Sof(H8B)=Sof(H11)=Sof(C12B)=Sof(F1B)=Sof(F2B)=Sof(F3B)=
 Sof(N1B)=Sof(O1B)=1-FVAR(1)
 Sof(H1A)=Sof(H4)=Sof(C7A)=Sof(H8A)=Sof(C12A)=Sof(F1A)=Sof(F2A)=Sof(F3A)=
 Sof(N1A)=Sof(O1A)=FVAR(1)
 Sof(C25A)=Sof(H25A)=Sof(H25B)=Sof(Cl2A)=1-FVAR(2)
 Sof(C25B)=Sof(H25C)=Sof(H25D)=Sof(Cl2B)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C25A(H25A,H25B), C25B(H25C,H25D)
6.b Aromatic/amide H refined with riding coordinates:
 C1(H1A), C1(H1B), C2(H2), C3(H3), C4(H4), C8(H8A), C8(H8B), C9(H9), C10(H10),
 C11(H11)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.429
_oxdiff_exptl_absorpt_empirical_full_min 0.817
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.50161(2) 0.75367(2) 0.51051(2) 0.02586(3) Uani 1 1 d . . . . .
C1 C 0.3178(3) 0.7232(3) 0.6889(2) 0.0339(6) Uani 1 1 d . . . . .
H1A H 0.236095 0.695542 0.636899 0.041 Uiso 0.847(3) 1 calc R . P A 1
H1B H 0.236095 0.695542 0.636899 0.041 Uiso 0.153(3) 1 calc R . P A 2
C2 C 0.2941(4) 0.7246(3) 0.7905(2) 0.0406(7) Uani 1 1 d . . . . .
H2 H 0.196848 0.699546 0.808532 0.049 Uiso 1 1 calc R . . . .
C3 C 0.4133(4) 0.7629(3) 0.8655(3) 0.0471(8) Uani 1 1 d . . . . .
H3 H 0.400244 0.762197 0.935872 0.057 Uiso 1 1 calc R . . . .
C4 C 0.5517(4) 0.8021(3) 0.8372(2) 0.0435(7) Uani 1 1 d . . . . .
H4 H 0.634039 0.829540 0.888816 0.052 Uiso 0.847(3) 1 calc R . P A 1
C5 C 0.5730(3) 0.8024(2) 0.7344(2) 0.0312(5) Uani 1 1 d . . . . .
C6 C 0.7140(3) 0.8401(2) 0.6922(2) 0.0298(5) Uani 1 1 d . . . . .
C7A C 0.7113(3) 0.8199(2) 0.5845(2) 0.0275(5) Uani 0.847(3) 1 d . . P A 1
C7B C 0.4534(3) 0.7600(2) 0.66139(17) 0.0285(4) Uani 0.153(3) 1 d . . P A 2
C8 C 0.8415(3) 0.8458(2) 0.5396(2) 0.0327(5) Uani 1 1 d . . . . .
H8A H 0.839114 0.831059 0.466599 0.039 Uiso 0.847(3) 1 calc R . P A 1
H8B H 0.839114 0.831059 0.466599 0.039 Uiso 0.153(3) 1 calc R . P A 2
C9 C 0.9752(3) 0.8929(3) 0.5990(3) 0.0401(7) Uani 1 1 d . . . . .
H9 H 1.064378 0.908366 0.566940 0.048 Uiso 1 1 calc R . . . .
C10 C 0.9794(3) 0.9177(3) 0.7054(3) 0.0409(7) Uani 1 1 d . . . . .
H10 H 1.070739 0.950869 0.746810 0.049 Uiso 1 1 calc R . . . .
C11 C 0.8490(3) 0.8933(3) 0.7501(2) 0.0358(6) Uani 1 1 d . . . . .
H11 H 0.850836 0.913366 0.822911 0.043 Uiso 0.153(3) 1 calc R . P A 2
C12A C 0.8407(5) 1.0412(4) 0.9010(3) 0.0511(10) Uani 0.847(3) 1 d D . P A 1
C12B C 0.6758(16) 1.001(2) 0.9411(13) 0.043(5) Uani 0.153(3) 1 d D . P A 2
C13 C 0.2870(3) 0.6864(2) 0.44094(19) 0.0283(5) Uani 1 1 d . . . . .
C14 C 0.2284(3) 0.5664(2) 0.4371(2) 0.0314(5) Uani 1 1 d . . . . .
C15 C 0.0894(3) 0.5178(3) 0.3871(2) 0.0350(6) Uani 1 1 d . . . . .
C16 C 0.0033(3) 0.5905(3) 0.3376(2) 0.0364(6) Uani 1 1 d . . . . .
C17 C 0.0563(3) 0.7108(3) 0.3393(2) 0.0343(6) Uani 1 1 d . . . . .
C18 C 0.1968(3) 0.7559(2) 0.3898(2) 0.0307(5) Uani 1 1 d . . . . .
C19 C 0.5600(3) 0.7551(2) 0.3676(2) 0.0295(5) Uani 1 1 d . . . . .
C20 C 0.5610(3) 0.6491(2) 0.2958(2) 0.0330(6) Uani 1 1 d . . . . .
C21 C 0.5948(3) 0.6505(3) 0.1971(2) 0.0376(6) Uani 1 1 d . . . . .
C22 C 0.6278(4) 0.7608(3) 0.1654(2) 0.0394(6) Uani 1 1 d . . . . .
C23 C 0.6269(3) 0.8682(3) 0.2334(2) 0.0363(6) Uani 1 1 d . . . . .
C24 C 0.5939(3) 0.8639(2) 0.3322(2) 0.0334(6) Uani 1 1 d . . . . .
F1A F 0.8274(7) 1.0472(11) 1.0002(4) 0.0703(15) Uani 0.847(3) 1 d D U P A 1
F1B F 0.793(4) 1.036(6) 1.012(2) 0.064(5) Uani 0.153(3) 1 d D U P A 2
F2A F 0.7189(8) 1.0821(6) 0.8582(5) 0.0798(16) Uani 0.847(3) 1 d D U P A 1
F2B F 0.680(5) 1.084(3) 0.879(3) 0.080(6) Uani 0.153(3) 1 d D U P A 2
F3A F 0.9604(4) 1.1155(2) 0.8921(2) 0.0716(9) Uani 0.847(3) 1 d D . P A 1
F3B F 0.5544(15) 1.0169(14) 0.9908(12) 0.068(5) Uani 0.153(3) 1 d D . P A 2
F4 F 0.3086(2) 0.49159(16) 0.48517(15) 0.0469(4) Uani 1 1 d . . . . .
F5 F 0.0367(2) 0.40019(16) 0.38461(16) 0.0492(5) Uani 1 1 d . . . . .
F6 F -0.1323(2) 0.54420(18) 0.28818(18) 0.0550(5) Uani 1 1 d . . . . .
F7 F -0.0283(2) 0.78121(18) 0.29084(16) 0.0506(5) Uani 1 1 d . . . . .
F8 F 0.2458(2) 0.87405(15) 0.38798(15) 0.0442(4) Uani 1 1 d . . . . .
F9 F 0.5264(2) 0.53881(14) 0.32231(14) 0.0412(4) Uani 1 1 d . . . . .
F10 F 0.5948(3) 0.54541(18) 0.12971(15) 0.0550(5) Uani 1 1 d . . . . .
F11 F 0.6613(3) 0.7630(2) 0.06870(15) 0.0577(5) Uani 1 1 d . . . . .
F12 F 0.6582(2) 0.97596(17) 0.20248(16) 0.0503(5) Uani 1 1 d . . . . .
F13 F 0.5950(2) 0.97170(15) 0.39652(15) 0.0457(4) Uani 1 1 d . . . . .
N1A N 0.4534(3) 0.7600(2) 0.66139(17) 0.0285(4) Uani 0.847(3) 1 d . . P A 1
N1B N 0.7113(3) 0.8199(2) 0.5845(2) 0.0275(5) Uani 0.153(3) 1 d . . P A 2
O1A O 0.8510(3) 0.9229(2) 0.86112(18) 0.0384(6) Uani 0.847(3) 1 d . . P A 1
O1B O 0.6881(14) 0.8848(11) 0.9015(9) 0.031(3) Uani 0.153(3) 1 d . . P A 2
C25A C 0.2024(8) 0.4610(4) 0.0571(5) 0.0566(18) Uani 0.613(9) 1 d D U P B 2
H25A H 0.141550 0.436288 -0.010593 0.068 Uiso 0.613(9) 1 calc R . P B 2
H25B H 0.306563 0.440729 0.048212 0.068 Uiso 0.613(9) 1 calc R . P B 2
C25B C 0.2538(9) 0.4721(6) 0.1324(7) 0.043(2) Uani 0.387(9) 1 d D U P B 1
H25C H 0.331186 0.438205 0.089948 0.051 Uiso 0.387(9) 1 calc R . P B 1
H25D H 0.295986 0.486770 0.205646 0.051 Uiso 0.387(9) 1 calc R . P B 1
Cl1 Cl 0.20652(18) 0.61744(12) 0.09548(12) 0.0921(4) Uani 1 1 d D . . . .
Cl2A Cl 0.1277(7) 0.3780(5) 0.1435(4) 0.0773(13) Uani 0.613(9) 1 d D U P B 2
Cl2B Cl 0.0924(11) 0.3679(10) 0.1143(9) 0.098(3) Uani 0.387(9) 1 d D U P B 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 -1 0.0179
1 -3 0 0.0845
-2 -3 0 0.0751
-1 3 -1 0.0808
1 0 0 0.0579
0 0 1 0.0059
-4 1 0 0.0734
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
C7A Au1 C13 177.90(9) .
C7A Au1 N1A 80.87(10) .
C7B Au1 C13 97.04(9) .
C19 Au1 C7A 95.71(10) .
C19 Au1 C7B 176.38(9) .
C19 Au1 C13 86.38(10) .
C19 Au1 N1A 176.38(9) .
C19 Au1 N1B 95.71(10) .
N1A Au1 C13 97.04(9) .
N1B Au1 C7B 80.87(10) .
N1B Au1 C13 177.90(9) .
C2 C1 H1A 119.1 .
C2 C1 H1B 119.1 .
C7B C1 H1B 119.1 .
C7B C1 C2 121.7(3) .
N1A C1 H1A 119.1 .
N1A C1 C2 121.7(3) .
C1 C2 H2 120.5 .
C3 C2 C1 119.0(3) .
C3 C2 H2 120.5 .
C2 C3 H3 120.4 .
C4 C3 C2 119.2(3) .
C4 C3 H3 120.4 .
C3 C4 H4 119.5 .
C3 C4 C5 121.1(3) .
C3 C4 O1B 130.3(6) .
C5 C4 H4 119.5 .
C5 C4 O1B 106.2(5) .
C4 C5 C6 127.4(3) .
C7B C5 C4 118.3(3) .
C7B C5 C6 114.3(2) .
N1A C5 C4 118.3(3) .
N1A C5 C6 114.3(2) .
C7A C6 C5 116.7(2) .
C11 C6 C5 125.6(2) .
C11 C6 C7A 117.7(3) .
C11 C6 N1B 117.7(3) .
N1B C6 C5 116.7(2) .
C6 C7A Au1 112.96(19) .
C8 C7A Au1 127.1(2) .
C8 C7A C6 120.0(2) .
C1 C7B Au1 124.31(19) .
C1 C7B C5 120.7(2) .
C5 C7B Au1 114.97(18) .
C7A C8 H8A 119.5 .
C9 C8 C7A 121.0(3) .
C9 C8 H8A 119.5 .
C9 C8 H8B 119.5 .
C9 C8 N1B 121.0(3) .
N1B C8 H8B 119.5 .
C8 C9 H9 120.0 .
C8 C9 C10 120.1(3) .
C10 C9 H9 120.0 .
C9 C10 H10 120.6 .
C11 C10 C9 118.9(3) .
C11 C10 H10 120.6 .
C6 C11 H11 118.9 .
C6 C11 O1A 118.5(3) .
C10 C11 C6 122.3(3) .
C10 C11 H11 118.9 .
C10 C11 O1A 119.3(3) .
F1A C12A F2A 108.1(6) .
F1A C12A O1A 107.2(6) .
F2A C12A O1A 111.7(4) .
F3A C12A F1A 107.6(4) .
F3A C12A F2A 108.4(5) .
F3A C12A O1A 113.5(4) .
F1B C12B F2B 106(4) .
F1B C12B O1B 106(3) .
F2B C12B O1B 119(2) .
F3B C12B F1B 106(2) .
F3B C12B F2B 106(2) .
F3B C12B O1B 113.9(16) .
C14 C13 Au1 122.0(2) .
C18 C13 Au1 122.41(19) .
C18 C13 C14 115.5(2) .
C15 C14 C13 123.2(3) .
F4 C14 C13 119.6(2) .
F4 C14 C15 117.2(2) .
C16 C15 C14 119.3(3) .
F5 C15 C14 121.4(3) .
F5 C15 C16 119.2(3) .
C15 C16 C17 119.8(3) .
F6 C16 C15 120.0(3) .
F6 C16 C17 120.2(3) .
C16 C17 C18 119.1(3) .
F7 C17 C16 119.5(3) .
F7 C17 C18 121.4(3) .
C13 C18 C17 123.1(2) .
F8 C18 C13 119.7(2) .
F8 C18 C17 117.2(2) .
C20 C19 Au1 123.0(2) .
C20 C19 C24 115.3(3) .
C24 C19 Au1 121.6(2) .
C21 C20 C19 122.9(3) .
F9 C20 C19 119.7(3) .
F9 C20 C21 117.4(2) .
C20 C21 C22 119.7(3) .
F10 C21 C20 121.0(3) .
F10 C21 C22 119.3(3) .
C23 C22 C21 119.6(3) .
F11 C22 C21 120.1(3) .
F11 C22 C23 120.3(3) .
C24 C23 C22 119.4(3) .
F12 C23 C22 119.7(3) .
F12 C23 C24 120.9(3) .
C23 C24 C19 123.1(3) .
F13 C24 C19 119.5(3) .
F13 C24 C23 117.4(2) .
F3B F3B C12B 151(2) 2_677
C1 N1A Au1 124.31(19) .
C1 N1A C5 120.7(2) .
C5 N1A Au1 114.97(18) .
C6 N1B Au1 112.96(19) .
C8 N1B Au1 127.1(2) .
C8 N1B C6 120.0(2) .
C12A O1A C11 116.3(3) .
C12B O1B C4 120.7(11) .
H25A C25A H25B 107.8 .
Cl1 C25A H25A 108.9 .
Cl1 C25A H25B 108.9 .
Cl2A C25A H25A 108.9 .
Cl2A C25A H25B 108.9 .
Cl2A C25A Cl1 113.1(4) .
H25C C25B H25D 108.2 .
Cl1 C25B H25C 109.7 .
Cl1 C25B H25D 109.7 .
Cl2B C25B H25C 109.7 .
Cl2B C25B H25D 109.7 .
Cl2B C25B Cl1 109.7(6) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C7A 2.049(3) .
Au1 C7B 2.070(2) .
Au1 C13 2.070(3) .
Au1 C19 2.006(3) .
Au1 N1A 2.070(2) .
Au1 N1B 2.049(3) .
C1 H1A 0.9500 .
C1 H1B 0.9500 .
C1 C2 1.377(4) .
C1 C7B 1.342(3) .
C1 N1A 1.342(3) .
C2 H2 0.9500 .
C2 C3 1.376(5) .
C3 H3 0.9500 .
C3 C4 1.376(5) .
C4 H4 0.9500 .
C4 C5 1.390(4) .
C4 O1B 1.552(12) .
C5 C6 1.476(4) .
C5 C7B 1.369(3) .
C5 N1A 1.369(3) .
C6 C7A 1.402(4) .
C6 C11 1.396(4) .
C6 N1B 1.402(4) .
C7A C8 1.380(4) .
C8 H8A 0.9500 .
C8 H8B 0.9500 .
C8 C9 1.380(4) .
C8 N1B 1.380(4) .
C9 H9 0.9500 .
C9 C10 1.385(5) .
C10 H10 0.9500 .
C10 C11 1.377(4) .
C11 H11 0.9500 .
C11 O1A 1.449(4) .
C12A F1A 1.319(5) .
C12A F2A 1.336(6) .
C12A F3A 1.316(4) .
C12A O1A 1.349(5) .
C12B F1B 1.326(9) .
C12B F2B 1.328(9) .
C12B F3B 1.325(8) .
C12B O1B 1.33(2) .
C13 C14 1.380(4) .
C13 C18 1.378(4) .
C14 C15 1.373(4) .
C14 F4 1.350(3) .
C15 C16 1.371(4) .
C15 F5 1.344(3) .
C16 C17 1.375(4) .
C16 F6 1.341(3) .
C17 C18 1.380(4) .
C17 F7 1.338(3) .
C18 F8 1.352(3) .
C19 C20 1.387(4) .
C19 C24 1.388(4) .
C20 C21 1.368(4) .
C20 F9 1.348(3) .
C21 C22 1.377(4) .
C21 F10 1.347(3) .
C22 C23 1.372(4) .
C22 F11 1.343(4) .
C23 C24 1.372(4) .
C23 F12 1.344(3) .
C24 F13 1.349(3) .
F3B F3B 1.07(3) 2_677
C25A H25A 0.9900 .
C25A H25B 0.9900 .
C25A Cl1 1.726(5) .
C25A Cl2A 1.725(6) .
C25B H25C 0.9900 .
C25B H25D 0.9900 .
C25B Cl1 1.842(7) .
C25B Cl2B 1.738(9) .
