#------------------------------------------------------------------------------
#$Date: 2019-11-23 04:38:50 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232142 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/70/4347052.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_4347052
loop_
_publ_author_name
'Corbo, Robert'
'Ryan, Gemma F.'
'Haghighatbin, Mohammad A.'
'Hogan, Conor F.'
'Wilson, David J. D.'
'Hulett, Mark D.'
'Barnard, Peter J.'
'Dutton, Jason L.'
_publ_section_title
;
 Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile
 Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of
 Biological Properties.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2830
_journal_page_last               2839
_journal_paper_doi               10.1021/acs.inorgchem.5b02667
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C22 H20.5 Au F6 N4.5 O7 S2'
_chemical_formula_weight         835.02
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.20(3)
_cell_angle_beta                 102.05(3)
_cell_angle_gamma                99.37(3)
_cell_formula_units_Z            2
_cell_length_a                   7.8309(16)
_cell_length_b                   13.386(3)
_cell_length_c                   14.140(3)
_cell_measurement_reflns_used    5678
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.3190
_cell_measurement_theta_min      5.7470
_cell_volume                     1424.0(6)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    SHELXP
_computing_publication_material  SHELXP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       '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  0.0296
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14181
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    5.401
_exptl_absorpt_correction_T_max  0.6142
_exptl_absorpt_correction_T_min  0.2768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, Agilent Technologies'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.947
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             810
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.459
_refine_diff_density_min         -1.160
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         6179
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0461P)²+2.9790P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0896
_reflns_number_gt                5539
_reflns_number_total             6179
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b02667_si_002.cif
_cod_data_source_block           9phen
_cod_original_cell_volume        1424.0(5)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C22 H20.50 Au F6 N4.50 O7 S2'
_cod_database_code               4347052
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 0.07108(2) 0.092388(13) 0.363839(13) 0.01908(8) Uani 1 1 d .
N1 N 0.0041(6) 0.2260(3) 0.3223(3) 0.0222(9) Uani 1 1 d .
C4 C 0.2948(8) 0.4774(4) 0.3434(4) 0.0332(13) Uani 1 1 d .
H4A H 0.2898 0.5451 0.3275 0.040 Uiso 1 1 calc R
C30 C 0.4526(8) 0.4529(4) 0.3884(4) 0.0304(12) Uani 1 1 d .
H30A H 0.5568 0.5036 0.4013 0.036 Uiso 1 1 calc R
C34 C 0.3105(7) 0.2794(4) 0.3937(4) 0.0214(10) Uani 1 1 d .
C35 C 0.1366(8) 0.4016(4) 0.3200(4) 0.0278(12) Uani 1 1 d .
C38 C 0.6209(7) 0.3226(4) 0.4640(4) 0.0284(12) Uani 1 1 d .
H38A H 0.7292 0.3700 0.4810 0.034 Uiso 1 1 calc R
C42 C 0.4647(7) 0.3526(4) 0.4165(4) 0.0249(11) Uani 1 1 d .
C44 C -0.0307(8) 0.4206(4) 0.2726(5) 0.0339(13) Uani 1 1 d .
H44A H -0.0443 0.4866 0.2546 0.041 Uiso 1 1 calc R
C45 C 0.6152(7) 0.2226(4) 0.4859(4) 0.0303(12) Uani 1 1 d .
H45A H 0.7202 0.2012 0.5183 0.036 Uiso 1 1 calc R
C46 C 0.1467(7) 0.3031(4) 0.3440(4) 0.0218(10) Uani 1 1 d .
C56 C -0.1730(8) 0.3424(5) 0.2528(5) 0.0398(15) Uani 1 1 d .
H56A H -0.2868 0.3548 0.2223 0.048 Uiso 1 1 calc R
C66 C -0.1526(7) 0.2437(4) 0.2772(4) 0.0295(12) Uani 1 1 d .
H66A H -0.2517 0.1896 0.2613 0.035 Uiso 1 1 calc R
S8 S 0.09478(18) 0.30998(10) 0.61318(10) 0.0267(3) Uani 1 1 d .
F8 F 0.4273(5) 0.3064(3) 0.6901(4) 0.0550(11) Uani 1 1 d .
F9 F 0.3174(5) 0.4183(3) 0.7604(3) 0.0494(10) Uani 1 1 d .
F25 F 0.2470(6) 0.2602(3) 0.7819(3) 0.0603(12) Uani 1 1 d .
O12 O -0.0472(5) 0.3319(3) 0.6555(3) 0.0389(10) Uani 1 1 d .
O2 O 0.0751(6) 0.2054(3) 0.5749(4) 0.0416(11) Uani 1 1 d .
O20 O 0.1562(6) 0.3833(3) 0.5521(3) 0.0420(10) Uani 1 1 d .
C31 C 0.2815(8) 0.3242(4) 0.7161(5) 0.0343(13) Uani 1 1 d .
S1 S 0.3181(2) 0.15129(13) 0.14425(13) 0.0407(4) Uani 1 1 d .
O1 O 0.1639(5) -0.0259(3) 0.4136(3) 0.0237(8) Uani 1 1 d .
H1 H 0.0791 -0.0734 0.4130 0.036 Uiso 1 1 calc R
N2 N 0.3093(5) 0.1823(3) 0.4161(3) 0.0197(8) Uani 1 1 d .
N3 N -0.1643(5) 0.0099(3) 0.2994(3) 0.0211(9) Uani 1 1 d .
N6 N -0.6627(6) -0.1351(4) 0.1502(4) 0.0373(12) Uani 1 1 d .
C109 C -0.2958(7) -0.0163(4) 0.3467(4) 0.0243(11) Uani 1 1 d .
H10A H -0.2711 -0.0018 0.4152 0.029 Uiso 1 1 calc R
C108 C -0.3613(7) -0.0587(4) 0.1505(4) 0.0249(11) Uani 1 1 d .
H10B H -0.3804 -0.0729 0.0822 0.030 Uiso 1 1 calc R
C107 C -0.2013(7) -0.0123(4) 0.2012(4) 0.0231(11) Uani 1 1 d .
H10C H -0.1098 0.0059 0.1673 0.028 Uiso 1 1 calc R
C106 C -0.4614(7) -0.0625(4) 0.3000(4) 0.0279(12) Uani 1 1 d .
H10D H -0.5505 -0.0784 0.3360 0.034 Uiso 1 1 calc R
C105 C -0.5034(7) -0.0873(4) 0.1978(4) 0.0260(11) Uani 1 1 d .
C104 C 0.4571(7) 0.1539(4) 0.4607(4) 0.0257(11) Uani 1 1 d .
H10E H 0.4548 0.0854 0.4756 0.031 Uiso 1 1 calc R
C103 C -0.8027(9) -0.1628(6) 0.2011(5) 0.052(2) Uani 1 1 d .
H10F H -0.7544 -0.1494 0.2712 0.078 Uiso 1 1 calc R
H10G H -0.8528 -0.2353 0.1851 0.078 Uiso 1 1 calc R
H10H H -0.8959 -0.1225 0.1814 0.078 Uiso 1 1 calc R
O103 O 0.4078(11) 0.1016(6) 0.0880(5) 0.096(3) Uani 1 1 d .
O102 O 0.1754(10) 0.1051(6) 0.1755(6) 0.103(3) Uani 1 1 d .
C102 C -0.7097(10) -0.1528(7) 0.0446(5) 0.062(2) Uani 1 1 d .
H10I H -0.6041 -0.1318 0.0186 0.092 Uiso 1 1 calc R
H10J H -0.8008 -0.1131 0.0188 0.092 Uiso 1 1 calc R
H10K H -0.7557 -0.2253 0.0255 0.092 Uiso 1 1 calc R
O101 O 0.4430(9) 0.2066(8) 0.2277(5) 0.117(3) Uani 1 1 d .
C101 C 0.2549(15) 0.2547(9) 0.0791(8) 0.082(3) Uani 1 1 d .
F101 F 0.1732(13) 0.2281(10) -0.0067(5) 0.186(6) Uani 1 1 d .
F103 F 0.146(2) 0.2966(9) 0.1147(7) 0.240(8) Uani 1 1 d .
F102 F 0.3948(17) 0.3086(7) 0.0566(9) 0.196(5) Uani 1 1 d .
N204 N 0.0000 0.5000 0.0000 0.118(6) Uani 1 2 d S
C201 C 0.130(3) 0.5408(14) 0.045(3) 0.165(19) Uani 0.50 1 d PD
C202 C 0.312(3) 0.5646(18) 0.046(3) 0.152(15) Uani 0.50 1 d PD
H20A H 0.3809 0.5586 0.1115 0.228 Uiso 0.50 1 calc PR
H20B H 0.3404 0.6344 0.0294 0.228 Uiso 0.50 1 calc PR
H20C H 0.3410 0.5175 -0.0008 0.228 Uiso 0.50 1 calc PR
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'
S S 0.1246 0.1234 '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
O1 Au1 N3 93.03(16) .
O1 Au1 N2 90.88(16) .
N3 Au1 N2 174.12(17) .
O1 Au1 N1 172.66(15) .
N3 Au1 N1 94.27(17) .
N2 Au1 N1 81.91(17) .
C66 N1 C46 119.9(5) .
C66 N1 Au1 128.5(4) .
C46 N1 Au1 111.6(3) .
C30 C4 C35 120.4(5) .
C30 C4 H4A 119.8 .
C35 C4 H4A 119.8 .
C4 C30 C42 121.6(5) .
C4 C30 H30A 119.2 .
C42 C30 H30A 119.2 .
N2 C34 C42 122.0(5) .
N2 C34 C46 116.8(5) .
C42 C34 C46 121.2(5) .
C46 C35 C44 117.3(5) .
C46 C35 C4 118.9(5) .
C44 C35 C4 123.7(5) .
C45 C38 C42 119.0(5) .
C45 C38 H38A 120.5 .
C42 C38 H38A 120.5 .
C34 C42 C38 117.6(5) .
C34 C42 C30 117.7(5) .
C38 C42 C30 124.7(5) .
C56 C44 C35 119.0(5) .
C56 C44 H44A 120.5 .
C35 C44 H44A 120.5 .
C104 C45 C38 120.2(5) .
C104 C45 H45A 119.9 .
C38 C45 H45A 119.9 .
N1 C46 C35 122.7(5) .
N1 C46 C34 117.1(5) .
C35 C46 C34 120.1(5) .
C44 C56 C66 120.7(6) .
C44 C56 H56A 119.7 .
C66 C56 H56A 119.7 .
N1 C66 C56 120.3(5) .
N1 C66 H66A 119.9 .
C56 C66 H66A 119.9 .
O12 S8 O20 115.7(3) .
O12 S8 O2 114.6(3) .
O20 S8 O2 114.4(3) .
O12 S8 C31 103.6(3) .
O20 S8 C31 102.7(3) .
O2 S8 C31 103.5(3) .
F8 C31 F9 107.3(5) .
F8 C31 F25 107.9(5) .
F9 C31 F25 107.4(5) .
F8 C31 S8 112.0(5) .
F9 C31 S8 111.1(4) .
F25 C31 S8 110.9(4) .
O102 S1 O103 123.8(5) .
O102 S1 O101 107.5(5) .
O103 S1 O101 109.3(5) .
O102 S1 C101 107.9(5) .
O103 S1 C101 105.8(5) .
O101 S1 C101 100.1(6) .
Au1 O1 H1 109.5 .
C104 N2 C34 120.4(5) .
C104 N2 Au1 127.0(4) .
C34 N2 Au1 112.4(3) .
C109 N3 C107 118.0(4) .
C109 N3 Au1 123.1(4) .
C107 N3 Au1 118.5(3) .
C105 N6 C103 120.6(5) .
C105 N6 C102 122.1(5) .
C103 N6 C102 117.0(5) .
N3 C109 C106 122.5(5) .
N3 C109 H10A 118.8 .
C106 C109 H10A 118.8 .
C107 C108 C105 120.9(5) .
C107 C108 H10B 119.6 .
C105 C108 H10B 119.6 .
C108 C107 N3 122.7(5) .
C108 C107 H10C 118.6 .
N3 C107 H10C 118.6 .
C109 C106 C105 120.7(5) .
C109 C106 H10D 119.6 .
C105 C106 H10D 119.6 .
N6 C105 C106 122.3(5) .
N6 C105 C108 122.5(5) .
C106 C105 C108 115.2(5) .
N2 C104 C45 120.8(5) .
N2 C104 H10E 119.6 .
C45 C104 H10E 119.6 .
N6 C103 H10F 109.5 .
N6 C103 H10G 109.5 .
H10F C103 H10G 109.5 .
N6 C103 H10H 109.5 .
H10F C103 H10H 109.5 .
H10G C103 H10H 109.5 .
N6 C102 H10I 109.5 .
N6 C102 H10J 109.5 .
H10I C102 H10J 109.5 .
N6 C102 H10K 109.5 .
H10I C102 H10K 109.5 .
H10J C102 H10K 109.5 .
F101 C101 F103 103.0(10) .
F101 C101 F102 95.4(10) .
F103 C101 F102 121.6(13) .
F101 C101 S1 113.3(10) .
F103 C101 S1 112.2(8) .
F102 C101 S1 109.9(8) .
C201 N204 C201 180(3) 2_565
N204 C201 C202 143(4) .
C201 C202 H20A 109.4 .
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 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 O1 1.953(3) .
Au1 N3 1.992(4) .
Au1 N2 2.017(4) .
Au1 N1 2.029(4) .
N1 C66 1.324(7) .
N1 C46 1.361(7) .
C4 C30 1.366(9) .
C4 C35 1.434(8) .
C4 H4A 0.9500 .
C30 C42 1.434(8) .
C30 H30A 0.9500 .
C34 N2 1.354(6) .
C34 C42 1.393(7) .
C34 C46 1.422(7) .
C35 C46 1.390(7) .
C35 C44 1.411(8) .
C38 C45 1.387(8) .
C38 C42 1.398(8) .
C38 H38A 0.9500 .
C44 C56 1.368(9) .
C44 H44A 0.9500 .
C45 C104 1.383(8) .
C45 H45A 0.9500 .
C56 C66 1.410(8) .
C56 H56A 0.9500 .
C66 H66A 0.9500 .
S8 O12 1.430(4) .
S8 O20 1.433(5) .
S8 O2 1.445(4) .
S8 C31 1.812(6) .
F8 C31 1.323(7) .
F9 C31 1.334(7) .
F25 C31 1.339(7) .
S1 O102 1.356(6) .
S1 O103 1.376(6) .
S1 O101 1.443(7) .
S1 C101 1.785(10) .
O1 H1 0.8400 .
N2 C104 1.323(7) .
N3 C109 1.352(7) .
N3 C107 1.364(7) .
N6 C105 1.327(7) .
N6 C103 1.443(8) .
N6 C102 1.456(8) .
C109 C106 1.355(8) .
C109 H10A 0.9500 .
C108 C107 1.338(7) .
C108 C105 1.425(7) .
C108 H10B 0.9500 .
C107 H10C 0.9500 .
C106 C105 1.422(8) .
C106 H10D 0.9500 .
C104 H10E 0.9500 .
C103 H10F 0.9800 .
C103 H10G 0.9800 .
C103 H10H 0.9800 .
C102 H10I 0.9800 .
C102 H10J 0.9800 .
C102 H10K 0.9800 .
C101 F101 1.250(14) .
C101 F103 1.266(12) .
C101 F102 1.318(14) .
N204 C201 1.12(2) .
N204 C201 1.12(2) 2_565
C201 C202 1.404(10) .
C202 H20A 0.9800 .
C202 H20B 0.9800 .
C202 H20C 0.9800 .
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
O1 Au1 N1 C66 -167.7(11) .
N3 Au1 N1 C66 6.2(5) .
N2 Au1 N1 C66 -178.3(5) .
O1 Au1 N1 C46 14.0(14) .
N3 Au1 N1 C46 -172.1(3) .
N2 Au1 N1 C46 3.4(3) .
C35 C4 C30 C42 -2.1(9) .
C30 C4 C35 C46 0.1(9) .
C30 C4 C35 C44 -179.2(6) .
N2 C34 C42 C38 -0.1(8) .
C46 C34 C42 C38 -178.9(5) .
N2 C34 C42 C30 179.0(5) .
C46 C34 C42 C30 0.2(7) .
C45 C38 C42 C34 0.1(8) .
C45 C38 C42 C30 -179.0(5) .
C4 C30 C42 C34 1.9(8) .
C4 C30 C42 C38 -179.0(6) .
C46 C35 C44 C56 0.1(9) .
C4 C35 C44 C56 179.4(6) .
C42 C38 C45 C104 0.2(9) .
C66 N1 C46 C35 -0.7(8) .
Au1 N1 C46 C35 177.8(4) .
C66 N1 C46 C34 179.1(5) .
Au1 N1 C46 C34 -2.4(6) .
C44 C35 C46 N1 1.1(8) .
C4 C35 C46 N1 -178.3(5) .
C44 C35 C46 C34 -178.7(5) .
C4 C35 C46 C34 2.0(8) .
N2 C34 C46 N1 -0.8(7) .
C42 C34 C46 N1 178.1(5) .
N2 C34 C46 C35 178.9(5) .
C42 C34 C46 C35 -2.2(8) .
C35 C44 C56 C66 -1.5(10) .
C46 N1 C66 C56 -0.9(8) .
Au1 N1 C66 C56 -179.1(4) .
C44 C56 C66 N1 2.0(10) .
O12 S8 C31 F8 180.0(4) .
O20 S8 C31 F8 -59.3(5) .
O2 S8 C31 F8 60.1(5) .
O12 S8 C31 F9 -60.0(5) .
O20 S8 C31 F9 60.7(5) .
O2 S8 C31 F9 -179.9(4) .
O12 S8 C31 F25 59.3(5) .
O20 S8 C31 F25 -179.9(4) .
O2 S8 C31 F25 -60.6(5) .
C42 C34 N2 C104 -0.1(7) .
C46 C34 N2 C104 178.7(5) .
C42 C34 N2 Au1 -175.2(4) .
C46 C34 N2 Au1 3.6(5) .
O1 Au1 N2 C104 2.9(4) .
N3 Au1 N2 C104 -128.7(14) .
N1 Au1 N2 C104 -178.5(5) .
O1 Au1 N2 C34 177.5(3) .
N3 Au1 N2 C34 46.0(16) .
N1 Au1 N2 C34 -3.8(3) .
O1 Au1 N3 C109 83.4(4) .
N2 Au1 N3 C109 -145.1(14) .
N1 Au1 N3 C109 -95.8(4) .
O1 Au1 N3 C107 -103.5(4) .
N2 Au1 N3 C107 28.0(17) .
N1 Au1 N3 C107 77.3(4) .
C107 N3 C109 C106 -0.6(8) .
Au1 N3 C109 C106 172.4(4) .
C105 C108 C107 N3 0.3(8) .
C109 N3 C107 C108 -0.1(7) .
Au1 N3 C107 C108 -173.5(4) .
N3 C109 C106 C105 1.2(8) .
C103 N6 C105 C106 1.0(9) .
C102 N6 C105 C106 174.7(7) .
C103 N6 C105 C108 179.9(6) .
C102 N6 C105 C108 -6.4(10) .
C109 C106 C105 N6 178.0(6) .
C109 C106 C105 C108 -1.0(8) .
C107 C108 C105 N6 -178.7(5) .
C107 C108 C105 C106 0.3(8) .
C34 N2 C104 C45 0.4(8) .
Au1 N2 C104 C45 174.7(4) .
C38 C45 C104 N2 -0.5(9) .
O102 S1 C101 F101 -81.6(9) .
O103 S1 C101 F101 52.7(10) .
O101 S1 C101 F101 166.2(8) .
O102 S1 C101 F103 34.5(13) .
O103 S1 C101 F103 168.8(11) .
O101 S1 C101 F103 -77.7(12) .
O102 S1 C101 F102 173.1(10) .
O103 S1 C101 F102 -52.6(11) .
O101 S1 C101 F102 60.9(11) .
C201 N204 C201 C202 -134(5) 2_565
