#------------------------------------------------------------------------------
#$Date: 2021-05-04 00:52:28 +0300 (Tue, 04 May 2021) $
#$Revision: 264805 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/86/4518686.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_4518686
loop_
_publ_author_name
'Zou, Hang'
'Zhang, Jing'
'Wu, Changmeng'
'He, Benzhao'
'Hu, Yubing'
'Sung, Herman H. Y.'
'Kwok, Ryan T. K.'
'Lam, Jacky W. Y.'
'Zheng, Lei'
'Tang, Ben Zhong'
_publ_section_title
;
 Making Aggregation-Induced Emission Luminogen More Valuable by Gold:
 Enhancing Anticancer Efficacy by Suppressing Thioredoxin Reductase
 Activity
;
_journal_name_full               'ACS Nano'
_journal_paper_doi               10.1021/acsnano.1c02882
_journal_year                    2021
_chemical_formula_moiety         'C35 H20 Au F5 N4 S'
_chemical_formula_sum            'C35 H20 Au F5 N4 S'
_chemical_formula_weight         820.58
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2019-02-01
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                111.821(5)
_cell_angle_beta                 100.122(4)
_cell_angle_gamma                103.297(5)
_cell_formula_units_Z            2
_cell_length_a                   8.7359(4)
_cell_length_b                   13.6139(8)
_cell_length_c                   13.9957(8)
_cell_measurement_temperature    100(2)
_cell_volume                     1439.58(16)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.982
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0576
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7884
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        66.500
_diffrn_reflns_theta_max         67.488
_diffrn_reflns_theta_min         3.554
_exptl_absorpt_coefficient_mu    10.866
_exptl_crystal_density_diffrn    1.893
_exptl_crystal_F_000             796
_refine_diff_density_max         2.076
_refine_diff_density_min         -1.052
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5106
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0484P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0836
_refine_ls_wR_factor_ref         0.0862
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4610
_reflns_number_total             5106
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            nn1c02882_si_001.cif
_cod_data_source_block           zjing24cult
_cod_original_cell_volume        1439.58(15)
_cod_database_code               4518686
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C18(H18), C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10),
 C11(H11), C12(H12), C14(H14), C15(H15), C17(H17), C20(H20), C21(H21), C28(H28),
  C29(H29), C26(H26), C27(H27)
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.11361(2) 0.60344(2) 0.40817(2) 0.01932(8) Uani 1 1 d . . . . .
S1 S 0.76063(17) 0.48609(11) 0.86978(11) 0.0282(3) Uani 1 1 d . . . . .
F1 F -0.1732(4) 0.5300(3) 0.1973(3) 0.0286(7) Uani 1 1 d . . . . .
F2 F -0.3308(4) 0.6469(3) 0.1256(3) 0.0355(8) Uani 1 1 d . . . . .
F3 F -0.2265(4) 0.8751(3) 0.2302(3) 0.0328(7) Uani 1 1 d . . . . .
F4 F 0.0358(4) 0.9828(3) 0.4076(3) 0.0297(7) Uani 1 1 d . . . . .
F5 F 0.1792(4) 0.8659(3) 0.4902(3) 0.0280(7) Uani 1 1 d . . . . .
N1 N 0.7717(5) -0.1230(4) 0.8308(4) 0.0199(9) Uani 1 1 d . . . . .
N2 N 0.7386(5) 0.3557(3) 0.8380(4) 0.0205(9) Uani 1 1 d . . . . .
N3 N 0.6297(5) 0.4766(4) 0.7666(4) 0.0222(9) Uani 1 1 d . . . . .
N4 N 0.2195(5) 0.5113(3) 0.4692(4) 0.0187(8) Uani 1 1 d . . . . .
C18 C 0.8355(6) 0.0583(4) 0.8219(4) 0.0170(9) Uani 1 1 d . . . . .
H18 H 0.945505 0.079633 0.864283 0.020 Uiso 1 1 calc R . . . .
C1 C 0.6529(6) -0.0776(4) 0.9807(4) 0.0191(10) Uani 1 1 d . . . . .
H1 H 0.701474 -0.000402 0.999674 0.023 Uiso 1 1 calc R . . . .
C2 C 0.5596(6) -0.1108(5) 1.0416(4) 0.0232(11) Uani 1 1 d . . . . .
H2 H 0.544428 -0.055956 1.101874 0.028 Uiso 1 1 calc R . . . .
C3 C 0.4893(6) -0.2228(5) 1.0147(4) 0.0232(11) Uani 1 1 d . . . . .
H3 H 0.425698 -0.245020 1.056093 0.028 Uiso 1 1 calc R . . . .
C4 C 0.5120(6) -0.3027(4) 0.9270(4) 0.0213(10) Uani 1 1 d . . . . .
H4 H 0.465595 -0.379834 0.909220 0.026 Uiso 1 1 calc R . . . .
C5 C 0.6025(6) -0.2706(4) 0.8649(4) 0.0191(10) Uani 1 1 d . . . . .
H5 H 0.615230 -0.325730 0.803718 0.023 Uiso 1 1 calc R . . . .
C6 C 0.6743(6) -0.1577(4) 0.8926(4) 0.0178(10) Uani 1 1 d . . . . .
C8 C 0.9754(6) -0.2030(4) 0.8835(4) 0.0188(10) Uani 1 1 d . . . . .
H8 H 0.921995 -0.215242 0.933547 0.023 Uiso 1 1 calc R . . . .
C9 C 1.1131(6) -0.2364(4) 0.8717(4) 0.0228(11) Uani 1 1 d . . . . .
H9 H 1.152872 -0.271498 0.913446 0.027 Uiso 1 1 calc R . . . .
C10 C 1.1918(6) -0.2182(4) 0.7992(4) 0.0221(10) Uani 1 1 d . . . . .
H10 H 1.284958 -0.241476 0.790391 0.026 Uiso 1 1 calc R . . . .
C11 C 1.1335(6) -0.1659(4) 0.7393(4) 0.0213(10) Uani 1 1 d . . . . .
H11 H 1.189125 -0.151595 0.690892 0.026 Uiso 1 1 calc R . . . .
C12 C 0.9960(6) -0.1344(4) 0.7494(4) 0.0201(10) Uani 1 1 d . . . . .
H12 H 0.955750 -0.100655 0.706382 0.024 Uiso 1 1 calc R . . . .
C7 C 0.9154(6) -0.1517(4) 0.8224(4) 0.0174(10) Uani 1 1 d . . . . .
C13 C 0.7282(6) -0.0468(4) 0.7943(4) 0.0194(10) Uani 1 1 d . . . . .
C14 C 0.5675(6) -0.0787(4) 0.7277(4) 0.0179(10) Uani 1 1 d . . . . .
H14 H 0.493307 -0.151400 0.705763 0.021 Uiso 1 1 calc R . . . .
C15 C 0.5178(6) -0.0048(4) 0.6942(4) 0.0169(9) Uani 1 1 d . . . . .
H15 H 0.408227 -0.027032 0.650770 0.020 Uiso 1 1 calc R . . . .
C16 C 0.6237(6) 0.1015(4) 0.7224(4) 0.0178(10) Uani 1 1 d . . . . .
C17 C 0.7849(6) 0.1333(4) 0.7886(4) 0.0191(10) Uani 1 1 d . . . . .
H17 H 0.859062 0.205946 0.810516 0.023 Uiso 1 1 calc R . . . .
C19 C 0.5672(5) 0.1775(4) 0.6828(4) 0.0156(9) Uani 1 1 d . . . . .
C20 C 0.4510(6) 0.1371(4) 0.5850(4) 0.0184(10) Uani 1 1 d . . . . .
H20 H 0.410024 0.058506 0.542503 0.022 Uiso 1 1 calc R . . . .
C21 C 0.3891(6) 0.2051(4) 0.5439(4) 0.0189(10) Uani 1 1 d . . . . .
H21 H 0.308405 0.170243 0.475929 0.023 Uiso 1 1 calc R . . . .
C22 C 0.4417(6) 0.3206(4) 0.5990(4) 0.0175(10) Uani 1 1 d . . . . .
C23 C 0.5625(6) 0.3670(4) 0.7011(4) 0.0184(10) Uani 1 1 d . . . . .
C24 C 0.6257(6) 0.2975(4) 0.7420(4) 0.0181(10) Uani 1 1 d . . . . .
C28 C 0.2682(6) 0.5426(4) 0.5761(4) 0.0189(10) Uani 1 1 d . . . . .
H28 H 0.249923 0.607403 0.622541 0.023 Uiso 1 1 calc R . . . .
C29 C 0.3433(6) 0.4851(4) 0.6211(4) 0.0194(10) Uani 1 1 d . . . . .
H29 H 0.377003 0.511172 0.697005 0.023 Uiso 1 1 calc R . . . .
C25 C 0.3696(6) 0.3890(4) 0.5556(4) 0.0183(10) Uani 1 1 d . . . . .
C26 C 0.3190(6) 0.3564(4) 0.4453(4) 0.0203(10) Uani 1 1 d . . . . .
H26 H 0.335613 0.291550 0.397456 0.024 Uiso 1 1 calc R . . . .
C27 C 0.2455(6) 0.4171(4) 0.4055(4) 0.0219(10) Uani 1 1 d . . . . .
H27 H 0.210966 0.392267 0.329827 0.026 Uiso 1 1 calc R . . . .
C31 C -0.1213(6) 0.6422(4) 0.2544(4) 0.0208(10) Uani 1 1 d . . . . .
C32 C -0.2039(6) 0.7009(5) 0.2152(4) 0.0227(11) Uani 1 1 d . . . . .
C33 C -0.1517(6) 0.8163(5) 0.2687(4) 0.0226(11) Uani 1 1 d . . . . .
C34 C -0.0212(6) 0.8704(4) 0.3606(4) 0.0218(10) Uani 1 1 d . . . . .
C35 C 0.0542(6) 0.8093(4) 0.4002(4) 0.0201(10) Uani 1 1 d . . . . .
C30 C 0.0091(6) 0.6926(4) 0.3497(4) 0.0174(10) 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 0.0181 0.0091 '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 -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
_geom_angle_publ_flag
C30 Au1 N4 179.40(17) . . ?
N2 S1 N3 100.9(2) . . ?
C7 N1 C6 120.4(4) . . ?
C7 N1 C13 122.9(4) . . ?
C13 N1 C6 116.0(4) . . ?
C24 N2 S1 106.6(3) . . ?
C23 N3 S1 106.0(4) . . ?
C28 N4 Au1 121.0(3) . . ?
C28 N4 C27 116.5(4) . . ?
C27 N4 Au1 122.5(4) . . ?
C13 C18 H18 119.4 . . ?
C13 C18 C17 121.2(5) . . ?
C17 C18 H18 119.4 . . ?
C2 C1 H1 120.1 . . ?
C6 C1 H1 120.1 . . ?
C6 C1 C2 119.7(5) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.4(5) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.7(5) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.3(5) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.9(5) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 N1 119.5(4) . . ?
C1 C6 C5 119.9(5) . . ?
C5 C6 N1 120.6(5) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.6(5) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 C8 119.9(5) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C11 119.6(5) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.7(5) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C7 120.5(5) . . ?
C7 C12 H12 119.8 . . ?
C8 C7 N1 120.4(4) . . ?
C8 C7 C12 118.7(4) . . ?
C12 C7 N1 120.8(5) . . ?
C18 C13 N1 123.0(5) . . ?
C18 C13 C14 118.6(5) . . ?
C14 C13 N1 118.3(5) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.2(4) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 119.1 . . ?
C14 C15 C16 121.8(5) . . ?
C16 C15 H15 119.1 . . ?
C15 C16 C17 118.0(5) . . ?
C15 C16 C19 120.2(5) . . ?
C17 C16 C19 121.7(4) . . ?
C18 C17 C16 120.2(5) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C20 C19 C16 121.5(4) . . ?
C20 C19 C24 114.8(4) . . ?
C24 C19 C16 123.7(4) . . ?
C19 C20 H20 117.9 . . ?
C19 C20 C21 124.2(5) . . ?
C21 C20 H20 117.9 . . ?
C20 C21 H21 118.7 . . ?
C22 C21 C20 122.5(5) . . ?
C22 C21 H21 118.7 . . ?
C21 C22 C23 115.6(4) . . ?
C21 C22 C25 121.1(5) . . ?
C23 C22 C25 123.2(5) . . ?
N3 C23 C22 124.9(5) . . ?
N3 C23 C24 113.5(5) . . ?
C22 C23 C24 121.6(5) . . ?
N2 C24 C19 125.6(5) . . ?
N2 C24 C23 113.1(4) . . ?
C23 C24 C19 121.3(5) . . ?
N4 C28 H28 118.4 . . ?
N4 C28 C29 123.2(5) . . ?
C29 C28 H28 118.4 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C25 120.0(5) . . ?
C25 C29 H29 120.0 . . ?
C29 C25 C22 122.4(5) . . ?
C29 C25 C26 117.0(5) . . ?
C26 C25 C22 120.6(5) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 C25 120.3(5) . . ?
C27 C26 H26 119.8 . . ?
N4 C27 C26 123.0(5) . . ?
N4 C27 H27 118.5 . . ?
C26 C27 H27 118.5 . . ?
F1 C31 C32 116.9(5) . . ?
F1 C31 C30 119.5(4) . . ?
C32 C31 C30 123.7(5) . . ?
F2 C32 C31 120.5(5) . . ?
F2 C32 C33 120.5(5) . . ?
C33 C32 C31 119.1(5) . . ?
F3 C33 C32 120.1(5) . . ?
F3 C33 C34 120.2(5) . . ?
C34 C33 C32 119.7(5) . . ?
F4 C34 C33 119.1(5) . . ?
F4 C34 C35 121.0(5) . . ?
C33 C34 C35 119.9(5) . . ?
F5 C35 C34 117.4(5) . . ?
F5 C35 C30 119.0(5) . . ?
C34 C35 C30 123.5(5) . . ?
C31 C30 Au1 122.1(4) . . ?
C35 C30 Au1 123.8(4) . . ?
C35 C30 C31 114.1(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 N4 2.053(4) . ?
Au1 C30 1.991(5) . ?
S1 N2 1.616(4) . ?
S1 N3 1.620(4) . ?
F1 C31 1.351(6) . ?
F2 C32 1.339(6) . ?
F3 C33 1.341(6) . ?
F4 C34 1.345(6) . ?
F5 C35 1.335(6) . ?
N1 C6 1.439(6) . ?
N1 C7 1.409(6) . ?
N1 C13 1.410(7) . ?
N2 C24 1.338(7) . ?
N3 C23 1.343(7) . ?
N4 C28 1.348(7) . ?
N4 C27 1.359(7) . ?
C18 H18 0.9500 . ?
C18 C13 1.385(7) . ?
C18 C17 1.395(7) . ?
C1 H1 0.9500 . ?
C1 C2 1.400(7) . ?
C1 C6 1.386(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.380(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.391(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.391(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.395(7) . ?
C8 C7 1.395(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.385(8) . ?
C10 H10 0.9500 . ?
C10 C11 1.390(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.377(7) . ?
C12 H12 0.9500 . ?
C12 C7 1.397(7) . ?
C13 C14 1.410(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.379(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.392(7) . ?
C16 C17 1.411(7) . ?
C16 C19 1.479(7) . ?
C17 H17 0.9500 . ?
C19 C20 1.379(7) . ?
C19 C24 1.441(7) . ?
C20 H20 0.9500 . ?
C20 C21 1.413(7) . ?
C21 H21 0.9500 . ?
C21 C22 1.386(7) . ?
C22 C23 1.430(7) . ?
C22 C25 1.480(7) . ?
C23 C24 1.434(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.377(7) . ?
C29 H29 0.9500 . ?
C29 C25 1.387(7) . ?
C25 C26 1.391(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.366(7) . ?
C27 H27 0.9500 . ?
C31 C32 1.383(7) . ?
C31 C30 1.404(7) . ?
C32 C33 1.383(8) . ?
C33 C34 1.375(8) . ?
C34 C35 1.378(7) . ?
C35 C30 1.398(7) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 N4 C28 C29 -178.5(4) . . . . ?
Au1 N4 C27 C26 178.6(4) . . . . ?
S1 N2 C24 C19 -179.8(4) . . . . ?
S1 N2 C24 C23 -0.7(5) . . . . ?
S1 N3 C23 C22 -178.9(4) . . . . ?
S1 N3 C23 C24 -0.1(5) . . . . ?
F1 C31 C32 F2 1.0(7) . . . . ?
F1 C31 C32 C33 -177.8(4) . . . . ?
F1 C31 C30 Au1 -3.2(6) . . . . ?
F1 C31 C30 C35 178.5(4) . . . . ?
F2 C32 C33 F3 -1.0(7) . . . . ?
F2 C32 C33 C34 -179.9(5) . . . . ?
F3 C33 C34 F4 -3.6(7) . . . . ?
F3 C33 C34 C35 179.5(4) . . . . ?
F4 C34 C35 F5 3.9(7) . . . . ?
F4 C34 C35 C30 -174.5(4) . . . . ?
F5 C35 C30 Au1 3.2(7) . . . . ?
F5 C35 C30 C31 -178.6(4) . . . . ?
N1 C13 C14 C15 177.1(4) . . . . ?
N2 S1 N3 C23 -0.3(4) . . . . ?
N3 S1 N2 C24 0.6(4) . . . . ?
N3 C23 C24 N2 0.5(6) . . . . ?
N3 C23 C24 C19 179.7(4) . . . . ?
N4 C28 C29 C25 -1.0(8) . . . . ?
C18 C13 C14 C15 -2.2(7) . . . . ?
C1 C2 C3 C4 0.2(8) . . . . ?
C2 C1 C6 N1 -179.5(4) . . . . ?
C2 C1 C6 C5 0.2(7) . . . . ?
C2 C3 C4 C5 -1.2(8) . . . . ?
C3 C4 C5 C6 1.7(8) . . . . ?
C4 C5 C6 N1 178.5(4) . . . . ?
C4 C5 C6 C1 -1.2(7) . . . . ?
C6 N1 C7 C8 -7.3(7) . . . . ?
C6 N1 C7 C12 169.6(5) . . . . ?
C6 N1 C13 C18 120.3(5) . . . . ?
C6 N1 C13 C14 -59.0(6) . . . . ?
C6 C1 C2 C3 0.3(8) . . . . ?
C8 C9 C10 C11 0.6(8) . . . . ?
C9 C8 C7 N1 176.9(5) . . . . ?
C9 C8 C7 C12 -0.1(7) . . . . ?
C9 C10 C11 C12 -1.7(8) . . . . ?
C10 C11 C12 C7 1.9(8) . . . . ?
C11 C12 C7 N1 -178.0(5) . . . . ?
C11 C12 C7 C8 -1.0(7) . . . . ?
C7 N1 C6 C1 118.5(5) . . . . ?
C7 N1 C6 C5 -61.2(7) . . . . ?
C7 N1 C13 C18 -50.4(7) . . . . ?
C7 N1 C13 C14 130.3(5) . . . . ?
C7 C8 C9 C10 0.3(8) . . . . ?
C13 N1 C6 C1 -52.5(6) . . . . ?
C13 N1 C6 C5 127.8(5) . . . . ?
C13 N1 C7 C8 163.0(5) . . . . ?
C13 N1 C7 C12 -20.0(7) . . . . ?
C13 C18 C17 C16 -2.3(7) . . . . ?
C13 C14 C15 C16 1.5(7) . . . . ?
C14 C15 C16 C17 -1.1(7) . . . . ?
C14 C15 C16 C19 178.5(4) . . . . ?
C15 C16 C17 C18 1.5(7) . . . . ?
C15 C16 C19 C20 -30.8(7) . . . . ?
C15 C16 C19 C24 148.6(5) . . . . ?
C16 C19 C20 C21 178.4(4) . . . . ?
C16 C19 C24 N2 1.1(8) . . . . ?
C16 C19 C24 C23 -178.0(4) . . . . ?
C17 C18 C13 N1 -176.7(5) . . . . ?
C17 C18 C13 C14 2.6(7) . . . . ?
C17 C16 C19 C20 148.8(5) . . . . ?
C17 C16 C19 C24 -31.8(7) . . . . ?
C19 C16 C17 C18 -178.2(4) . . . . ?
C19 C20 C21 C22 0.6(8) . . . . ?
C20 C19 C24 N2 -179.5(5) . . . . ?
C20 C19 C24 C23 1.4(6) . . . . ?
C20 C21 C22 C23 -0.4(7) . . . . ?
C20 C21 C22 C25 -177.6(4) . . . . ?
C21 C22 C23 N3 179.7(5) . . . . ?
C21 C22 C23 C24 0.9(7) . . . . ?
C21 C22 C25 C29 143.5(5) . . . . ?
C21 C22 C25 C26 -34.0(7) . . . . ?
C22 C23 C24 N2 179.4(4) . . . . ?
C22 C23 C24 C19 -1.4(7) . . . . ?
C22 C25 C26 C27 176.9(5) . . . . ?
C23 C22 C25 C29 -33.4(7) . . . . ?
C23 C22 C25 C26 149.1(5) . . . . ?
C24 C19 C20 C21 -1.0(7) . . . . ?
C28 N4 C27 C26 -0.9(7) . . . . ?
C28 C29 C25 C22 -176.8(4) . . . . ?
C28 C29 C25 C26 0.8(7) . . . . ?
C29 C25 C26 C27 -0.7(7) . . . . ?
C25 C22 C23 N3 -3.3(7) . . . . ?
C25 C22 C23 C24 178.0(4) . . . . ?
C25 C26 C27 N4 0.8(8) . . . . ?
C27 N4 C28 C29 1.1(7) . . . . ?
C31 C32 C33 F3 177.8(4) . . . . ?
C31 C32 C33 C34 -1.2(8) . . . . ?
C32 C31 C30 Au1 175.6(4) . . . . ?
C32 C31 C30 C35 -2.7(7) . . . . ?
C32 C33 C34 F4 175.3(4) . . . . ?
C32 C33 C34 C35 -1.6(7) . . . . ?
C33 C34 C35 F5 -179.3(4) . . . . ?
C33 C34 C35 C30 2.3(8) . . . . ?
C34 C35 C30 Au1 -178.4(4) . . . . ?
C34 C35 C30 C31 -0.2(7) . . . . ?
C30 C31 C32 F2 -177.8(5) . . . . ?
C30 C31 C32 C33 3.4(8) . . . . ?
