#------------------------------------------------------------------------------
#$Date: 2022-02-02 00:52:05 +0200 (Wed, 02 Feb 2022) $
#$Revision: 272398 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/96/7129643.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_7129643
loop_
_publ_author_name
'Hattori, Yohei'
'Kitajima, Ryota'
'Matsuoka, Ryota'
'Kusamoto, Tetsuro'
'Nishihara, Hiroshi'
'Uchida, Kingo'
_publ_section_title
;
 Amplification of luminescence of stable radicals by coordination to
 NHC--gold(i) complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC06555F
_journal_year                    2022
_chemical_formula_moiety
'C45 H44 Au Cl6 F2 N3, F6 Sb, C4 H8 O, C6 H12'
_chemical_formula_sum            'C55 H64 Au Cl6 F8 N3 O Sb'
_chemical_formula_weight         1466.50
_chemical_name_systematic        '4SbF6 THF cyclohexane'
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2021-11-12
_audit_creation_method
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_audit_update_record
;
2021-11-17 deposited with the CCDC.	2022-01-25 downloaded from the CCDC.
;
_cell_angle_alpha                90.337(6)
_cell_angle_beta                 95.247(7)
_cell_angle_gamma                91.396(6)
_cell_formula_units_Z            4
_cell_length_a                   12.4979(2)
_cell_length_b                   21.0791(4)
_cell_length_c                   22.2535(4)
_cell_measurement_reflns_used    53552
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.37
_cell_measurement_theta_min      2.06
_cell_volume                     5836.07(19)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      103.15
_diffrn_detector                 'Rigaku curved IP area detector'
_diffrn_detector_area_resol_mean 10.0
_diffrn_detector_type            'Imaging plate area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku VariMax RAPID'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'multi-layer mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_unetI/netI     0.0497
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            67463
_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         25.351
_diffrn_reflns_theta_min         1.802
_diffrn_source                   'rotating anode X-ray generator'
_diffrn_source_type              'MicroMax 007'
_exptl_absorpt_coefficient_mu    3.315
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_description       prism
_exptl_crystal_F_000             2908
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: THF, cyclohexane'
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.979
_refine_diff_density_min         -1.191
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1333
_refine_ls_number_reflns         21345
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0490
_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)+(0.0534P)²+19.8440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1167
_refine_ls_wR_factor_ref         0.1237
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17684
_reflns_number_total             21345
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc06555f2.cif
_cod_data_source_block           shelxl_CCDC1
_cod_database_code               7129643
_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   0.937
_shelx_estimated_absorpt_t_min   0.673
_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. Others
 Sof(O2A)=Sof(C111)=Sof(H11C)=Sof(H11D)=Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(C1B)=
 Sof(H1BA)=Sof(H1BB)=Sof(C1C)=Sof(H1CA)=Sof(H1CB)=1-FVAR(1)
 Sof(O2)=Sof(C109)=Sof(H10O)=Sof(H10P)=Sof(C110)=Sof(H11A)=Sof(H11B)=Sof(C107)=
 Sof(H10Q)=Sof(H10R)=Sof(C108)=Sof(H10S)=Sof(H10T)=FVAR(1)
3.a Ternary CH refined with riding coordinates:
 C31(H31), C43(H43), C85(H85), C40(H40), C28(H28), C76(H76), C88(H88), C73(H73)
3.b Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C66(H66A,H66B), C65(H65A,H65B), C20(H20A,H20B), C99(H99A,
 H99B), C100(H10M,H10N), C96(H96A,H96B), C97(H97A,H97B), C98(H98A,H98B),
 C109(H10O,H10P), C93(H93A,H93B), C95(H95A,H95B), C91(H91A,H91B), C101(H10A,
 H10B), C104(H10C,H10D), C94(H94A,H94B), C103(H10E,H10F), C92(H92A,H92B),
 C110(H11A,H11B), C102(H10G,H10H), C107(H10Q,H10R), C105(H10I,H10J), C106(H10K,
 H10L), C108(H10S,H10T), C111(H11C,H11D), C1A(H1AA,H1AB), C1B(H1BA,H1BB),
 C1C(H1CA,H1CB)
3.c Aromatic/amide H refined with riding coordinates:
 C25(H25), C26(H26), C60(H60), C11(H11), C62(H62), C9(H9), C82(H82), C83(H83),
 C37(H37), C81(H81), C24(H24), C36(H36), C70(H70), C69(H69), C1(H1), C38(H38),
 C50(H50), C5(H5), C54(H54), C46(H46), C71(H71), C15(H15), C56(H56), C17(H17)
3.d Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C89(H89A,H89B,H89C), C29(H29A,H29B,
 H29C), C44(H44A,H44B,H44C), C30(H30A,H30B,H30C), C87(H87A,H87B,H87C), C41(H41A,
 H41B,H41C), C86(H86A,H86B,H86C), C90(H90A,H90B,H90C), C42(H42A,H42B,H42C),
 C45(H45A,H45B,H45C), C78(H78A,H78B,H78C), C75(H75A,H75B,H75C), C77(H77A,H77B,
 H77C), C74(H74A,H74B,H74C)
;
_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 0.79991(2) 0.24168(2) 0.93812(2) 0.03762(7) Uani 1 1 d . . . . .
Au2 Au 0.80049(2) 0.25509(2) 0.44375(2) 0.03962(8) Uani 1 1 d . . . . .
Sb2 Sb 0.82701(4) 0.57926(2) -0.14842(2) 0.04458(12) Uani 1 1 d . . . . .
Sb1 Sb 0.81991(4) -0.08633(3) 0.35327(2) 0.05192(13) Uani 1 1 d . . . . .
Cl11 Cl 0.75163(13) 0.56495(8) 0.07443(8) 0.0500(4) Uani 1 1 d . . . . .
Cl10 Cl 0.77800(16) 0.63904(9) 0.30581(9) 0.0588(5) Uani 1 1 d . . . . .
Cl2 Cl 0.74937(14) -0.07442(9) 0.57452(8) 0.0550(4) Uani 1 1 d . . . . .
Cl1 Cl 0.55780(16) 0.05303(10) 0.74017(8) 0.0627(5) Uani 1 1 d . . . . .
Cl12 Cl 0.57022(16) 0.41878(9) 0.23365(8) 0.0593(5) Uani 1 1 d . . . . .
Cl3 Cl 0.79858(18) -0.15063(10) 0.80425(9) 0.0704(6) Uani 1 1 d . . . . .
Cl9 Cl 0.43368(16) 0.55612(12) 0.26625(8) 0.0720(6) Uani 1 1 d . . . . .
Cl7 Cl 0.74409(19) 0.56091(12) 0.45427(11) 0.0833(7) Uani 1 1 d . . . . .
Cl6 Cl 0.81304(19) -0.05500(10) 0.94904(11) 0.0769(6) Uani 1 1 d . . . . .
Cl4 Cl 0.4620(2) -0.10773(15) 0.79363(12) 0.0973(9) Uani 1 1 d . . . . .
Cl8 Cl 0.4120(3) 0.71578(11) 0.45032(12) 0.1002(10) Uani 1 1 d . . . . .
Cl5 Cl 0.5079(2) -0.21577(12) 1.01180(14) 0.1030(10) Uani 1 1 d . . . . .
F4 F 0.8354(3) 0.4483(2) 0.30056(19) 0.0607(11) Uani 1 1 d . . . . .
F3 F 0.5447(3) 0.45333(18) 0.42134(17) 0.0508(9) Uani 1 1 d . . . . .
F1 F 0.8473(3) 0.0432(2) 0.79997(17) 0.0565(10) Uani 1 1 d . . . . .
F2 F 0.5560(3) 0.0342(2) 0.92090(17) 0.0567(11) Uani 1 1 d . . . . .
F12 F 0.8103(4) 0.5680(2) -0.06594(17) 0.0631(11) Uani 1 1 d . . . . .
F13 F 0.6931(3) 0.6166(2) -0.15791(19) 0.0673(12) Uani 1 1 d . . . . .
F14 F 0.8450(4) 0.5907(2) -0.22985(18) 0.0708(13) Uani 1 1 d . . . . .
F15 F 0.9607(3) 0.5407(2) -0.1361(2) 0.0677(12) Uani 1 1 d . . . . .
F10 F 0.8457(4) -0.0975(3) 0.27313(19) 0.0835(16) Uani 1 1 d . . . . .
F16 F 0.8939(4) 0.6580(2) -0.1304(2) 0.0736(13) Uani 1 1 d . . . . .
F11 F 0.7625(3) 0.4994(2) -0.1644(2) 0.0638(11) Uani 1 1 d . . . . .
F8 F 0.8840(4) -0.1633(2) 0.3719(2) 0.0810(14) Uani 1 1 d . . . . .
F5 F 0.7973(4) -0.0759(3) 0.43490(18) 0.0783(14) Uani 1 1 d . . . . .
F7 F 0.9540(4) -0.0453(2) 0.3694(2) 0.0765(14) Uani 1 1 d . . . . .
F9 F 0.6865(4) -0.1262(3) 0.3394(2) 0.0888(17) Uani 1 1 d . . . . .
F6 F 0.7586(4) -0.0077(3) 0.3364(2) 0.0863(16) Uani 1 1 d . . . . .
N3 N 0.9442(4) 0.3516(2) 0.9416(2) 0.0347(11) Uani 1 1 d . . . . .
N2 N 0.8162(4) 0.3697(2) 0.9988(2) 0.0319(10) Uani 1 1 d . . . . .
N5 N 0.9487(4) 0.1518(2) 0.4440(2) 0.0344(11) Uani 1 1 d . . . . .
N6 N 0.8264(4) 0.1285(2) 0.5038(2) 0.0351(11) Uani 1 1 d . . . . .
N4 N 0.7494(4) 0.3416(3) 0.4108(2) 0.0427(12) Uani 1 1 d . . . . .
N1 N 0.7563(4) 0.1521(2) 0.9065(2) 0.0424(12) Uani 1 1 d . . . . .
C22 C 0.7189(5) 0.3620(3) 1.0287(3) 0.0338(13) Uani 1 1 d . . . . .
C25 C 0.5339(5) 0.3491(3) 1.0856(3) 0.0449(15) Uani 1 1 d . . . . .
H25 H 0.470185 0.345137 1.105656 0.054 Uiso 1 1 calc R U . . .
C23 C 0.7259(5) 0.3369(3) 1.0864(3) 0.0406(14) Uani 1 1 d . . . . .
C27 C 0.6228(5) 0.3807(3) 0.9983(3) 0.0382(14) Uani 1 1 d . . . . .
C19 C 0.8544(4) 0.3279(3) 0.9629(2) 0.0319(12) Uani 1 1 d . . . . .
C10 C 0.7238(5) -0.0645(3) 0.6492(3) 0.0472(16) Uani 1 1 d . . . . .
C26 C 0.5301(5) 0.3742(3) 1.0287(3) 0.0419(15) Uani 1 1 d . . . . .
H26 H 0.463210 0.387293 1.009641 0.050 Uiso 1 1 calc R U . . .
C60 C 0.7541(5) 0.5963(3) 0.1920(3) 0.0452(16) Uani 1 1 d . . . . .
H60 H 0.791011 0.634252 0.182215 0.054 Uiso 1 1 calc R U . . .
C59 C 0.7306(5) 0.5850(3) 0.2508(3) 0.0425(15) Uani 1 1 d . . . . .
C21 C 0.9728(5) 0.4158(3) 0.9647(3) 0.0354(13) Uani 1 1 d . . . . .
H21A H 0.976559 0.446486 0.931354 0.042 Uiso 1 1 calc R U . . .
H21B H 1.042303 0.416670 0.989893 0.042 Uiso 1 1 calc R U . . .
C32 C 0.5734(5) 0.4735(3) 0.9310(3) 0.0468(16) Uani 1 1 d . . . . .
H32A H 0.500809 0.474041 0.944372 0.070 Uiso 1 1 calc R U . . .
H32B H 0.571555 0.488638 0.889416 0.070 Uiso 1 1 calc R U . . .
H32C H 0.621462 0.501184 0.957379 0.070 Uiso 1 1 calc R U . . .
C61 C 0.7228(5) 0.5516(3) 0.1481(3) 0.0414(15) Uani 1 1 d . . . . .
C64 C 0.8619(5) 0.1718(3) 0.4675(3) 0.0353(13) Uani 1 1 d . . . . .
C66 C 0.8888(5) 0.0692(3) 0.5032(3) 0.0367(13) Uani 1 1 d . . . . .
H66A H 0.844390 0.033671 0.484216 0.044 Uiso 1 1 calc R U . . .
H66B H 0.916412 0.057033 0.544508 0.044 Uiso 1 1 calc R U . . .
C11 C 0.7616(6) -0.1078(3) 0.6922(3) 0.0519(17) Uani 1 1 d . . . . .
H11 H 0.800272 -0.143575 0.680953 0.062 Uiso 1 1 calc R U . . .
C34 C 1.0057(5) 0.3160(3) 0.9018(3) 0.0359(13) Uani 1 1 d . . . . .
C35 C 0.9799(5) 0.3202(3) 0.8402(3) 0.0399(14) Uani 1 1 d . . . . .
C62 C 0.6675(5) 0.4963(3) 0.1607(3) 0.0445(15) Uani 1 1 d . . . . .
H62 H 0.645506 0.466236 0.129782 0.053 Uiso 1 1 calc R U . . .
C67 C 1.0047(5) 0.1892(3) 0.4018(3) 0.0387(14) Uani 1 1 d . . . . .
C9 C 0.6636(5) -0.0148(3) 0.6645(3) 0.0474(16) Uani 1 1 d . . . . .
H9 H 0.635929 0.014022 0.634677 0.057 Uiso 1 1 calc R U . . .
C82 C 0.5465(6) 0.1352(3) 0.5926(4) 0.0546(18) Uani 1 1 d . . . . .
H82 H 0.482732 0.136349 0.612674 0.066 Uiso 1 1 calc R U . . .
C65 C 0.9812(5) 0.0878(3) 0.4651(3) 0.0374(14) Uani 1 1 d . . . . .
H65A H 1.051278 0.089555 0.489763 0.045 Uiso 1 1 calc R U . . .
H65B H 0.985227 0.058062 0.430791 0.045 Uiso 1 1 calc R U . . .
C58 C 0.6748(5) 0.5292(3) 0.2665(3) 0.0427(15) Uani 1 1 d . . . . .
C83 C 0.5408(5) 0.1177(4) 0.5325(3) 0.0523(18) Uani 1 1 d . . . . .
H83 H 0.472756 0.107353 0.511774 0.063 Uiso 1 1 calc R U . . .
C20 C 0.8791(5) 0.4299(3) 1.0024(3) 0.0365(13) Uani 1 1 d . . . . .
H20A H 0.905372 0.440519 1.044681 0.044 Uiso 1 1 calc R U . . .
H20B H 0.836002 0.465221 0.985075 0.044 Uiso 1 1 calc R U . . .
C49 C 0.7736(5) 0.4243(3) 0.3421(3) 0.0443(15) Uani 1 1 d . . . . .
C31 C 0.6143(5) 0.4058(3) 0.9341(3) 0.0400(14) Uani 1 1 d . . . . .
H31 H 0.688016 0.406528 0.919902 0.048 Uiso 1 1 calc R U . . .
C52 C 0.5900(6) 0.5629(3) 0.3603(3) 0.0460(16) Uani 1 1 d . . . . .
C37 C 1.1060(6) 0.2368(3) 0.8269(4) 0.0552(19) Uani 1 1 d . . . . .
H37 H 1.138352 0.208239 0.801233 0.066 Uiso 1 1 calc R U . . .
C39 C 1.0829(5) 0.2751(3) 0.9274(3) 0.0460(16) Uani 1 1 d . . . . .
C81 C 0.6440(6) 0.1508(3) 0.6236(3) 0.0523(18) Uani 1 1 d . . . . .
H81 H 0.646719 0.162610 0.664986 0.063 Uiso 1 1 calc R U . . .
C24 C 0.6297(6) 0.3298(3) 1.1136(3) 0.0481(16) Uani 1 1 d . . . . .
H24 H 0.630925 0.311105 1.152369 0.058 Uiso 1 1 calc R U . . .
C80 C 0.7397(5) 0.1496(3) 0.5950(3) 0.0414(14) Uani 1 1 d . . . . .
C79 C 0.7298(5) 0.1314(3) 0.5342(3) 0.0380(14) Uani 1 1 d . . . . .
C36 C 1.0325(5) 0.2792(4) 0.8027(3) 0.0509(17) Uani 1 1 d . . . . .
H36 H 1.016881 0.280964 0.760134 0.061 Uiso 1 1 calc R U . . .
C70 C 1.0922(7) 0.2713(4) 0.3236(4) 0.069(2) Uani 1 1 d . . . . .
H70 H 1.120602 0.300775 0.296719 0.083 Uiso 1 1 calc R U . . .
C84 C 0.6319(5) 0.1151(3) 0.5017(3) 0.0441(15) Uani 1 1 d . . . . .
C63 C 0.6454(5) 0.4863(3) 0.2192(3) 0.0435(15) Uani 1 1 d . . . . .
C69 C 1.0163(6) 0.2267(4) 0.3020(4) 0.066(2) Uani 1 1 d . . . . .
H69 H 0.994242 0.225123 0.260017 0.079 Uiso 1 1 calc R U . . .
C2 C 0.7863(5) 0.0667(3) 0.8405(3) 0.0451(15) Uani 1 1 d . . . . .
C72 C 1.0852(6) 0.2323(3) 0.4248(3) 0.0495(17) Uani 1 1 d . . . . .
C48 C 0.6850(5) 0.4583(3) 0.3574(3) 0.0402(14) Uani 1 1 d . . . . .
C1 C 0.8131(5) 0.1256(3) 0.8636(3) 0.0429(15) Uani 1 1 d . . . . .
H1 H 0.872248 0.148518 0.849738 0.051 Uiso 1 1 calc R U . . .
C38 C 1.1328(6) 0.2355(3) 0.8883(3) 0.0549(18) Uani 1 1 d . . . . .
H38 H 1.185999 0.207233 0.904377 0.066 Uiso 1 1 calc R U . . .
C8 C 0.6437(6) -0.0071(3) 0.7237(3) 0.0496(17) Uani 1 1 d . . . . .
C33 C 0.5429(6) 0.3613(4) 0.8921(3) 0.0516(17) Uani 1 1 d . . . . .
H33A H 0.571844 0.318505 0.894118 0.077 Uiso 1 1 calc R U . . .
H33B H 0.541399 0.376761 0.850574 0.077 Uiso 1 1 calc R U . . .
H33C H 0.469801 0.360185 0.904711 0.077 Uiso 1 1 calc R U . . .
C51 C 0.6506(5) 0.5165(3) 0.3287(3) 0.0450(15) Uani 1 1 d . . . . .
C13 C 0.6319(6) -0.0808(3) 0.8739(3) 0.0533(18) Uani 1 1 d . . . . .
C89 C 0.5808(6) 0.0236(4) 0.4317(3) 0.0569(19) Uani 1 1 d . . . . .
H89A H 0.508653 0.020822 0.445586 0.085 Uiso 1 1 calc R U . . .
H89B H 0.628894 -0.003880 0.456450 0.085 Uiso 1 1 calc R U . . .
H89C H 0.577485 0.009768 0.389394 0.085 Uiso 1 1 calc R U . . .
C50 C 0.8049(5) 0.3686(3) 0.3678(3) 0.0474(16) Uani 1 1 d . . . . .
H50 H 0.866445 0.348382 0.355445 0.057 Uiso 1 1 calc R U . . .
C68 C 0.9708(5) 0.1835(4) 0.3403(3) 0.0523(18) Uani 1 1 d . . . . .
C4 C 0.6437(5) 0.0601(3) 0.9009(3) 0.0458(16) Uani 1 1 d . . . . .
C53 C 0.6254(6) 0.5868(3) 0.4182(3) 0.0536(18) Uani 1 1 d . . . . .
C12 C 0.7424(6) -0.0981(3) 0.7512(3) 0.0507(17) Uani 1 1 d . . . . .
C7 C 0.6846(6) -0.0465(3) 0.7693(3) 0.0478(16) Uani 1 1 d . . . . .
C6 C 0.6704(6) -0.0333(3) 0.8336(3) 0.0514(17) Uani 1 1 d . . . . .
C43 C 1.1111(6) 0.2713(4) 0.9951(3) 0.0538(18) Uani 1 1 d . . . . .
H43 H 1.071518 0.305596 1.014198 0.065 Uiso 1 1 calc R U . . .
C5 C 0.6731(5) 0.1187(3) 0.9243(3) 0.0459(16) Uani 1 1 d . . . . .
H5 H 0.632857 0.136236 0.954319 0.055 Uiso 1 1 calc R U . . .
C85 C 0.8475(6) 0.1691(3) 0.6280(3) 0.0494(17) Uani 1 1 d . . . . .
H85 H 0.904720 0.150243 0.605451 0.059 Uiso 1 1 calc R U . . .
C40 C 0.8983(5) 0.3658(4) 0.8132(3) 0.0550(19) Uani 1 1 d . . . . .
H40 H 0.876819 0.393034 0.846768 0.066 Uiso 1 1 calc R U . . .
C54 C 0.5701(7) 0.6327(4) 0.4472(4) 0.062(2) Uani 1 1 d . . . . .
H54 H 0.594106 0.647202 0.486793 0.074 Uiso 1 1 calc R U . . .
C57 C 0.4943(6) 0.5879(4) 0.3332(3) 0.0566(19) Uani 1 1 d . . . . .
C28 C 0.8323(6) 0.3170(4) 1.1192(3) 0.0501(17) Uani 1 1 d . . . . .
H28 H 0.891294 0.333004 1.095343 0.060 Uiso 1 1 calc R U . . .
C29 C 0.8514(6) 0.3460(4) 1.1826(3) 0.0570(19) Uani 1 1 d . . . . .
H29A H 0.796018 0.330002 1.207432 0.086 Uiso 1 1 calc R U . . .
H29B H 0.848089 0.392306 1.180011 0.086 Uiso 1 1 calc R U . . .
H29C H 0.922424 0.334204 1.200825 0.086 Uiso 1 1 calc R U . . .
C46 C 0.6637(5) 0.3706(3) 0.4273(3) 0.0452(16) Uani 1 1 d . . . . .
H46 H 0.622652 0.351761 0.456654 0.054 Uiso 1 1 calc R U . . .
C76 C 1.1220(7) 0.2362(4) 0.4921(4) 0.063(2) Uani 1 1 d . . . . .
H76 H 1.090386 0.198545 0.511879 0.076 Uiso 1 1 calc R U . . .
C88 C 0.6235(6) 0.0924(4) 0.4373(3) 0.057(2) Uani 1 1 d . . . . .
H88 H 0.697949 0.093087 0.424147 0.068 Uiso 1 1 calc R U . . .
C14 C 0.5381(6) -0.1172(4) 0.8618(4) 0.064(2) Uani 1 1 d . . . . .
C44 C 1.2292(7) 0.2825(4) 1.0138(4) 0.070(2) Uani 1 1 d . . . . .
H44A H 1.242095 0.279498 1.057806 0.105 Uiso 1 1 calc R U . . .
H44B H 1.251367 0.324839 1.000991 0.105 Uiso 1 1 calc R U . . .
H44C H 1.270807 0.250415 0.994833 0.105 Uiso 1 1 calc R U . . .
C30 C 0.8380(7) 0.2453(4) 1.1212(4) 0.074(3) Uani 1 1 d . . . . .
H30A H 0.909407 0.233231 1.138586 0.111 Uiso 1 1 calc R U . . .
H30B H 0.824813 0.227848 1.080180 0.111 Uiso 1 1 calc R U . . .
H30C H 0.783357 0.228353 1.146122 0.111 Uiso 1 1 calc R U . . .
C47 C 0.6333(5) 0.4283(3) 0.4023(3) 0.0419(15) Uani 1 1 d . . . . .
C71 C 1.1270(7) 0.2734(4) 0.3836(4) 0.062(2) Uani 1 1 d . . . . .
H71 H 1.181045 0.303818 0.397647 0.075 Uiso 1 1 calc R U . . .
C3 C 0.6982(5) 0.0301(3) 0.8574(3) 0.0442(15) Uani 1 1 d . . . . .
C18 C 0.6897(8) -0.0903(3) 0.9321(4) 0.066(2) Uani 1 1 d . . . . .
C87 C 0.8623(6) 0.1449(4) 0.6919(3) 0.063(2) Uani 1 1 d . . . . .
H87A H 0.936433 0.153675 0.708711 0.095 Uiso 1 1 calc R U . . .
H87B H 0.847397 0.099036 0.691899 0.095 Uiso 1 1 calc R U . . .
H87C H 0.812685 0.166274 0.716502 0.095 Uiso 1 1 calc R U . . .
C41 C 0.9444(7) 0.4096(4) 0.7675(4) 0.077(3) Uani 1 1 d . . . . .
H41A H 0.967254 0.384296 0.734089 0.116 Uiso 1 1 calc R U . . .
H41B H 1.006322 0.433560 0.787044 0.116 Uiso 1 1 calc R U . . .
H41C H 0.889353 0.439108 0.751955 0.116 Uiso 1 1 calc R U . . .
C55 C 0.4795(7) 0.6564(4) 0.4164(4) 0.064(2) Uani 1 1 d . . . . .
C16 C 0.5567(8) -0.1634(4) 0.9585(4) 0.069(2) Uani 1 1 d . . . . .
C73 C 0.8877(6) 0.1344(5) 0.3168(3) 0.076(3) Uani 1 1 d . . . . .
H73 H 0.868509 0.108221 0.351697 0.091 Uiso 1 1 calc R U . . .
C15 C 0.4982(7) -0.1600(4) 0.9043(5) 0.070(2) Uani 1 1 d . . . . .
H15 H 0.434077 -0.184660 0.895170 0.084 Uiso 1 1 calc R U . . .
C86 C 0.8627(7) 0.2412(4) 0.6263(3) 0.070(2) Uani 1 1 d . . . . .
H86A H 0.805993 0.261241 0.646846 0.106 Uiso 1 1 calc R U . . .
H86B H 0.858753 0.255177 0.584257 0.106 Uiso 1 1 calc R U . . .
H86C H 0.933024 0.253453 0.646715 0.106 Uiso 1 1 calc R U . . .
C56 C 0.4401(7) 0.6342(4) 0.3603(4) 0.068(2) Uani 1 1 d . . . . .
H56 H 0.376167 0.650685 0.340671 0.081 Uiso 1 1 calc R U . . .
C99 C 0.3816(8) 0.2345(5) 0.7786(5) 0.088(3) Uani 1 1 d . . . . .
H99A H 0.374526 0.272298 0.804405 0.105 Uiso 1 1 calc R U . . .
H99B H 0.317445 0.230006 0.749201 0.105 Uiso 1 1 calc R U . . .
C17 C 0.6503(7) -0.1306(4) 0.9741(4) 0.065(2) Uani 1 1 d . . . . .
H17 H 0.687613 -0.135165 1.012924 0.078 Uiso 1 1 calc R U . . .
O1 O 0.5068(7) 0.1723(5) 0.8307(3) 0.131(3) Uani 1 1 d . . . . .
C90 C 0.5567(7) 0.1353(5) 0.3948(4) 0.084(3) Uani 1 1 d . . . . .
H90A H 0.483064 0.136005 0.406556 0.126 Uiso 1 1 calc R U . . .
H90B H 0.555850 0.119041 0.353422 0.126 Uiso 1 1 calc R U . . .
H90C H 0.588155 0.178345 0.397130 0.126 Uiso 1 1 calc R U . . .
C42 C 0.7974(6) 0.3296(5) 0.7864(4) 0.079(3) Uani 1 1 d . . . . .
H42A H 0.741354 0.359849 0.773959 0.118 Uiso 1 1 calc R U . . .
H42B H 0.771637 0.301016 0.816803 0.118 Uiso 1 1 calc R U . . .
H42C H 0.814383 0.304853 0.751261 0.118 Uiso 1 1 calc R U . . .
C45 C 1.0720(7) 0.2078(4) 1.0197(4) 0.071(2) Uani 1 1 d . . . . .
H45A H 1.109735 0.173052 1.002158 0.107 Uiso 1 1 calc R U . . .
H45B H 0.994504 0.202348 1.009012 0.107 Uiso 1 1 calc R U . . .
H45C H 1.086794 0.207611 1.063738 0.107 Uiso 1 1 calc R U . . .
C78 C 1.2432(7) 0.2339(5) 0.5042(5) 0.084(3) Uani 1 1 d . . . . .
H78A H 1.276352 0.270523 0.485524 0.126 Uiso 1 1 calc R U . . .
H78B H 1.268689 0.194666 0.487117 0.126 Uiso 1 1 calc R U . . .
H78C H 1.263037 0.234987 0.547853 0.126 Uiso 1 1 calc R U . . .
C75 C 0.9322(9) 0.0903(6) 0.2712(4) 0.110(4) Uani 1 1 d . . . . .
H75A H 0.881313 0.054802 0.261792 0.165 Uiso 1 1 calc R U . . .
H75B H 1.001121 0.074015 0.288347 0.165 Uiso 1 1 calc R U . . .
H75C H 0.942908 0.113765 0.234270 0.165 Uiso 1 1 calc R U . . .
O2 O 0.3975(8) 0.3320(5) 0.3927(4) 0.054(3) Uiso 0.505(9) 1 d . . P A 1
C100 C 0.3978(8) 0.1769(6) 0.8149(5) 0.104(4) Uani 1 1 d . . . . .
H10M H 0.358746 0.179618 0.851581 0.125 Uiso 1 1 calc R U . . .
H10N H 0.370246 0.139050 0.791258 0.125 Uiso 1 1 calc R U . . .
C96 C 0.1091(10) -0.0587(6) 0.9180(6) 0.114(4) Uani 1 1 d . . . . .
H96A H 0.104107 -0.049839 0.961395 0.137 Uiso 1 1 calc R U . . .
H96B H 0.059969 -0.095051 0.905842 0.137 Uiso 1 1 calc R U . . .
C97 C 0.5636(7) 0.2100(5) 0.7943(5) 0.088(3) Uani 1 1 d . . . . .
H97A H 0.616370 0.184518 0.774675 0.106 Uiso 1 1 calc R U . . .
H97B H 0.603010 0.244191 0.818395 0.106 Uiso 1 1 calc R U . . .
C77 C 1.0807(8) 0.2958(5) 0.5207(5) 0.096(3) Uani 1 1 d . . . . .
H77A H 1.107451 0.297928 0.563467 0.144 Uiso 1 1 calc R U . . .
H77B H 1.001976 0.294340 0.516915 0.144 Uiso 1 1 calc R U . . .
H77C H 1.106332 0.333408 0.500041 0.144 Uiso 1 1 calc R U . . .
C98 C 0.4842(9) 0.2379(5) 0.7474(5) 0.102(4) Uani 1 1 d . . . . .
H98A H 0.477612 0.212405 0.709653 0.122 Uiso 1 1 calc R U . . .
H98B H 0.504351 0.282253 0.738149 0.122 Uiso 1 1 calc R U . . .
C109 C 0.3788(13) 0.3128(8) 0.2897(7) 0.053(4) Uiso 0.505(9) 1 d . . P A 1
H10O H 0.402686 0.332047 0.252540 0.063 Uiso 0.505(9) 1 calc R U P A 1
H10P H 0.310001 0.289319 0.279213 0.063 Uiso 0.505(9) 1 calc R U P A 1
C93 C 0.2644(12) 0.0255(7) 0.8709(6) 0.122(5) Uani 1 1 d . . . . .
H93A H 0.262423 0.007952 0.829476 0.146 Uiso 1 1 calc R U . . .
H93B H 0.319607 0.060139 0.875055 0.146 Uiso 1 1 calc R U . . .
C95 C 0.0783(11) -0.0030(7) 0.8824(8) 0.149(6) Uani 1 1 d . . . . .
H95A H 0.011112 0.012588 0.897019 0.179 Uiso 1 1 calc R U . . .
H95B H 0.060311 -0.017554 0.840243 0.179 Uiso 1 1 calc R U . . .
C74 C 0.7861(7) 0.1659(8) 0.2900(5) 0.131(6) Uani 1 1 d . . . . .
H74A H 0.804781 0.197516 0.260318 0.197 Uiso 1 1 calc R U . . .
H74B H 0.751117 0.186674 0.322161 0.197 Uiso 1 1 calc R U . . .
H74C H 0.736970 0.133625 0.270110 0.197 Uiso 1 1 calc R U . . .
C91 C 0.2191(10) -0.0742(7) 0.9079(6) 0.118(4) Uani 1 1 d . . . . .
H91A H 0.243138 -0.107961 0.936423 0.142 Uiso 1 1 calc R U . . .
H91B H 0.219026 -0.091969 0.866562 0.142 Uiso 1 1 calc R U . . .
C101 C 1.0880(14) 0.4628(8) 0.3782(7) 0.148(5) Uiso 1 1 d . . . . .
H10A H 1.070629 0.417811 0.386483 0.177 Uiso 1 1 calc R U . . .
H10B H 1.060311 0.470575 0.335875 0.177 Uiso 1 1 calc R U . . .
C104 C 1.1910(15) 0.5714(9) 0.4135(8) 0.169(7) Uiso 1 1 d . . . . .
H10C H 1.193463 0.602013 0.380083 0.203 Uiso 1 1 calc R U . . .
H10D H 1.232194 0.591243 0.449174 0.203 Uiso 1 1 calc R U . . .
C94 C 0.1542(19) 0.0524(7) 0.8809(5) 0.175(9) Uani 1 1 d . . . . .
H94A H 0.158017 0.076363 0.919503 0.210 Uiso 1 1 calc R U . . .
H94B H 0.130255 0.081244 0.847702 0.210 Uiso 1 1 calc R U . . .
C103 C 1.0793(17) 0.5661(10) 0.4273(10) 0.203(8) Uiso 1 1 d . . . . .
H10E H 1.037081 0.597749 0.403316 0.244 Uiso 1 1 calc R U . . .
H10F H 1.075763 0.576591 0.470510 0.244 Uiso 1 1 calc R U . . .
C92 C 0.2940(13) -0.0242(7) 0.9142(8) 0.149(6) Uani 1 1 d . . . . .
H92A H 0.366058 -0.039736 0.907514 0.179 Uiso 1 1 calc R U . . .
H92B H 0.297098 -0.006664 0.955743 0.179 Uiso 1 1 calc R U . . .
C110 C 0.3662(12) 0.3595(7) 0.3327(6) 0.050(3) Uiso 0.505(9) 1 d . . P A 1
H11A H 0.290494 0.372772 0.330201 0.060 Uiso 0.505(9) 1 calc R U P A 1
H11B H 0.412383 0.397098 0.325828 0.060 Uiso 0.505(9) 1 calc R U P A 1
C102 C 1.0266(17) 0.4991(10) 0.4142(10) 0.199(8) Uiso 1 1 d . . . . .
H10G H 1.019451 0.476961 0.452851 0.239 Uiso 1 1 calc R U . . .
H10H H 0.953702 0.503668 0.393554 0.239 Uiso 1 1 calc R U . . .
C107 C 0.4325(12) 0.2695(7) 0.3829(6) 0.054(4) Uiso 0.505(9) 1 d . . P A 1
H10Q H 0.373602 0.238203 0.387678 0.064 Uiso 0.505(9) 1 calc R U P A 1
H10R H 0.494144 0.259650 0.412210 0.064 Uiso 0.505(9) 1 calc R U P A 1
C105 C 1.2452(19) 0.5210(12) 0.3985(11) 0.218(9) Uiso 1 1 d . . . . .
H10I H 1.290176 0.534829 0.366396 0.262 Uiso 1 1 calc R U . . .
H10J H 1.295216 0.511001 0.434086 0.262 Uiso 1 1 calc R U . . .
C106 C 1.1990(18) 0.4682(11) 0.3804(10) 0.196(8) Uiso 1 1 d . . . . .
H10K H 1.229140 0.434276 0.406956 0.235 Uiso 1 1 calc R U . . .
H10L H 1.219754 0.459286 0.339341 0.235 Uiso 1 1 calc R U . . .
C108 C 0.4657(13) 0.2672(8) 0.3185(7) 0.058(4) Uiso 0.505(9) 1 d . . P A 1
H10S H 0.458218 0.224013 0.300771 0.069 Uiso 0.505(9) 1 calc R U P A 1
H10T H 0.539755 0.284135 0.315909 0.069 Uiso 0.505(9) 1 calc R U P A 1
O2A O 0.4413(15) 0.2667(9) 0.2354(9) 0.134(7) Uiso 0.495(9) 1 d . . P A 2
C111 C 0.5424(16) 0.2653(10) 0.2806(9) 0.082(6) Uiso 0.495(9) 1 d . . P A 2
H11C H 0.556547 0.221059 0.293082 0.099 Uiso 0.495(9) 1 calc R U P A 2
H11D H 0.605449 0.281851 0.261145 0.099 Uiso 0.495(9) 1 calc R U P A 2
C1A C 0.5278(12) 0.3008(8) 0.3290(7) 0.055(4) Uiso 0.495(9) 1 d . . P A 2
H1AA H 0.570037 0.340993 0.326917 0.065 Uiso 0.495(9) 1 calc R U P A 2
H1AB H 0.556547 0.278183 0.365629 0.065 Uiso 0.495(9) 1 calc R U P A 2
C1B C 0.422(2) 0.3152(13) 0.3349(12) 0.109(8) Uiso 0.495(9) 1 d . . P A 2
H1BA H 0.411591 0.361653 0.335061 0.131 Uiso 0.495(9) 1 calc R U P A 2
H1BB H 0.396843 0.297022 0.372286 0.131 Uiso 0.495(9) 1 calc R U P A 2
C1C C 0.3626(19) 0.2834(13) 0.2780(11) 0.093(7) Uiso 0.495(9) 1 d . . P A 2
H1CA H 0.323186 0.244728 0.289563 0.112 Uiso 0.495(9) 1 calc R U P A 2
H1CB H 0.309774 0.312930 0.258554 0.112 Uiso 0.495(9) 1 calc R U P A 2
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'
Sb Sb -0.5866 1.5461 '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
C19 Au1 N1 173.9(2) . . ?
C64 Au2 N4 172.9(2) . . ?
F13 Sb2 F12 89.38(19) . . ?
F13 Sb2 F14 91.01(19) . . ?
F13 Sb2 F15 177.92(19) . . ?
F13 Sb2 F16 90.8(2) . . ?
F13 Sb2 F11 90.4(2) . . ?
F14 Sb2 F12 179.4(2) . . ?
F14 Sb2 F15 91.0(2) . . ?
F14 Sb2 F16 90.0(2) . . ?
F14 Sb2 F11 91.2(2) . . ?
F15 Sb2 F12 88.6(2) . . ?
F16 Sb2 F12 89.5(2) . . ?
F16 Sb2 F15 89.6(2) . . ?
F16 Sb2 F11 178.2(2) . . ?
F11 Sb2 F12 89.20(19) . . ?
F11 Sb2 F15 89.1(2) . . ?
F10 Sb1 F8 89.7(2) . . ?
F10 Sb1 F5 178.6(2) . . ?
F10 Sb1 F7 90.4(2) . . ?
F10 Sb1 F6 91.3(2) . . ?
F8 Sb1 F5 89.2(2) . . ?
F8 Sb1 F7 89.2(2) . . ?
F8 Sb1 F6 178.2(3) . . ?
F7 Sb1 F5 88.6(2) . . ?
F9 Sb1 F10 91.1(2) . . ?
F9 Sb1 F8 91.1(3) . . ?
F9 Sb1 F5 89.9(2) . . ?
F9 Sb1 F7 178.5(2) . . ?
F9 Sb1 F6 90.4(3) . . ?
F6 Sb1 F5 89.7(2) . . ?
F6 Sb1 F7 89.3(2) . . ?
C19 N3 C21 112.7(5) . . ?
C19 N3 C34 122.5(5) . . ?
C34 N3 C21 124.8(5) . . ?
C22 N2 C20 121.5(4) . . ?
C19 N2 C22 125.8(5) . . ?
C19 N2 C20 112.6(5) . . ?
C64 N5 C67 122.5(5) . . ?
C64 N5 C65 113.3(5) . . ?
C67 N5 C65 124.2(5) . . ?
C64 N6 C66 112.0(5) . . ?
C64 N6 C79 126.2(5) . . ?
C79 N6 C66 121.2(5) . . ?
C50 N4 Au2 117.3(4) . . ?
C46 N4 Au2 124.1(4) . . ?
C46 N4 C50 118.5(5) . . ?
C1 N1 Au1 118.8(4) . . ?
C5 N1 Au1 123.5(4) . . ?
C5 N1 C1 117.6(6) . . ?
C23 C22 N2 118.5(5) . . ?
C23 C22 C27 123.2(5) . . ?
C27 C22 N2 118.2(5) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 120.0(6) . . ?
C22 C23 C24 116.8(6) . . ?
C22 C23 C28 122.5(5) . . ?
C24 C23 C28 120.7(6) . . ?
C22 C27 C26 117.2(5) . . ?
C22 C27 C31 123.3(5) . . ?
C26 C27 C31 119.6(6) . . ?
N3 C19 Au1 120.0(4) . . ?
N2 C19 Au1 130.4(4) . . ?
N2 C19 N3 109.6(5) . . ?
C11 C10 Cl2 120.1(5) . . ?
C9 C10 Cl2 119.1(6) . . ?
C9 C10 C11 120.8(6) . . ?
C25 C26 C27 121.2(6) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C59 C60 H60 120.6 . . ?
C61 C60 H60 120.6 . . ?
C61 C60 C59 118.8(6) . . ?
C60 C59 Cl10 118.0(5) . . ?
C60 C59 C58 121.7(6) . . ?
C58 C59 Cl10 120.1(5) . . ?
N3 C21 H21A 111.4 . . ?
N3 C21 H21B 111.4 . . ?
N3 C21 C20 102.0(5) . . ?
H21A C21 H21B 109.2 . . ?
C20 C21 H21A 111.4 . . ?
C20 C21 H21B 111.4 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
C60 C61 Cl11 119.4(5) . . ?
C60 C61 C62 122.0(6) . . ?
C62 C61 Cl11 118.5(5) . . ?
N5 C64 Au2 120.4(4) . . ?
N6 C64 Au2 129.4(4) . . ?
N6 C64 N5 110.1(5) . . ?
N6 C66 H66A 111.2 . . ?
N6 C66 H66B 111.2 . . ?
N6 C66 C65 102.8(5) . . ?
H66A C66 H66B 109.1 . . ?
C65 C66 H66A 111.2 . . ?
C65 C66 H66B 111.2 . . ?
C10 C11 H11 120.5 . . ?
C12 C11 C10 118.9(7) . . ?
C12 C11 H11 120.5 . . ?
C35 C34 N3 118.7(5) . . ?
C35 C34 C39 122.8(6) . . ?
C39 C34 N3 118.3(5) . . ?
C34 C35 C36 117.5(6) . . ?
C34 C35 C40 122.2(5) . . ?
C36 C35 C40 120.3(6) . . ?
C61 C62 H62 121.1 . . ?
C63 C62 C61 117.9(6) . . ?
C63 C62 H62 121.1 . . ?
C72 C67 N5 118.4(6) . . ?
C72 C67 C68 123.1(6) . . ?
C68 C67 N5 118.4(6) . . ?
C10 C9 H9 120.5 . . ?
C10 C9 C8 118.9(7) . . ?
C8 C9 H9 120.5 . . ?
C83 C82 H82 119.8 . . ?
C81 C82 H82 119.8 . . ?
C81 C82 C83 120.4(6) . . ?
N5 C65 C66 101.3(5) . . ?
N5 C65 H65A 111.5 . . ?
N5 C65 H65B 111.5 . . ?
C66 C65 H65A 111.5 . . ?
C66 C65 H65B 111.5 . . ?
H65A C65 H65B 109.3 . . ?
C59 C58 C51 122.1(6) . . ?
C63 C58 C59 115.9(6) . . ?
C63 C58 C51 122.0(6) . . ?
C82 C83 H83 119.2 . . ?
C82 C83 C84 121.5(7) . . ?
C84 C83 H83 119.2 . . ?
N2 C20 C21 102.9(5) . . ?
N2 C20 H20A 111.2 . . ?
N2 C20 H20B 111.2 . . ?
C21 C20 H20A 111.2 . . ?
C21 C20 H20B 111.2 . . ?
H20A C20 H20B 109.1 . . ?
F4 C49 C48 119.3(6) . . ?
F4 C49 C50 116.5(6) . . ?
C50 C49 C48 124.2(6) . . ?
C27 C31 C32 111.7(5) . . ?
C27 C31 H31 107.8 . . ?
C27 C31 C33 110.4(5) . . ?
C32 C31 H31 107.8 . . ?
C32 C31 C33 111.1(5) . . ?
C33 C31 H31 107.8 . . ?
C53 C52 C51 122.6(6) . . ?
C57 C52 C51 121.3(6) . . ?
C57 C52 C53 116.1(6) . . ?
C36 C37 H37 119.9 . . ?
C36 C37 C38 120.3(6) . . ?
C38 C37 H37 119.9 . . ?
C34 C39 C38 117.5(6) . . ?
C34 C39 C43 122.3(6) . . ?
C38 C39 C43 120.1(6) . . ?
C82 C81 H81 119.5 . . ?
C82 C81 C80 121.0(7) . . ?
C80 C81 H81 119.5 . . ?
C25 C24 C23 121.6(6) . . ?
C25 C24 H24 119.2 . . ?
C23 C24 H24 119.2 . . ?
C81 C80 C85 121.7(6) . . ?
C79 C80 C81 116.4(6) . . ?
C79 C80 C85 121.9(5) . . ?
C80 C79 N6 117.8(5) . . ?
C84 C79 N6 118.4(5) . . ?
C84 C79 C80 123.7(6) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 C35 120.8(7) . . ?
C37 C36 H36 119.6 . . ?
C69 C70 H70 119.9 . . ?
C71 C70 H70 119.9 . . ?
C71 C70 C69 120.2(7) . . ?
C83 C84 C79 116.9(6) . . ?
C83 C84 C88 120.1(6) . . ?
C79 C84 C88 122.9(6) . . ?
C62 C63 Cl12 117.4(5) . . ?
C62 C63 C58 123.6(6) . . ?
C58 C63 Cl12 118.9(5) . . ?
C70 C69 H69 119.2 . . ?
C70 C69 C68 121.6(8) . . ?
C68 C69 H69 119.2 . . ?
F1 C2 C1 117.6(6) . . ?
F1 C2 C3 119.1(6) . . ?
C1 C2 C3 123.3(6) . . ?
C67 C72 C76 121.8(6) . . ?
C71 C72 C67 116.7(7) . . ?
C71 C72 C76 121.5(7) . . ?
C49 C48 C51 123.8(6) . . ?
C47 C48 C49 111.7(6) . . ?
C47 C48 C51 124.5(6) . . ?
N1 C1 H1 119.5 . . ?
C2 C1 N1 121.1(6) . . ?
C2 C1 H1 119.5 . . ?
C37 C38 C39 121.0(7) . . ?
C37 C38 H38 119.5 . . ?
C39 C38 H38 119.5 . . ?
C9 C8 Cl1 117.3(6) . . ?
C9 C8 C7 123.0(6) . . ?
C7 C8 Cl1 119.6(5) . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C52 C51 C58 119.2(6) . . ?
C48 C51 C58 119.7(6) . . ?
C48 C51 C52 121.0(6) . . ?
C14 C13 C6 124.4(7) . . ?
C14 C13 C18 115.9(7) . . ?
C18 C13 C6 119.7(7) . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C88 C89 H89A 109.5 . . ?
C88 C89 H89B 109.5 . . ?
C88 C89 H89C 109.5 . . ?
N4 C50 C49 120.8(6) . . ?
N4 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
C67 C68 C73 121.7(6) . . ?
C69 C68 C67 116.5(7) . . ?
C69 C68 C73 121.8(7) . . ?
F2 C4 C5 115.1(6) . . ?
F2 C4 C3 121.6(6) . . ?
C5 C4 C3 123.2(6) . . ?
C52 C53 Cl7 119.6(6) . . ?
C54 C53 Cl7 117.7(6) . . ?
C54 C53 C52 122.6(7) . . ?
C11 C12 Cl3 117.3(5) . . ?
C11 C12 C7 122.2(7) . . ?
C7 C12 Cl3 120.4(6) . . ?
C8 C7 C12 115.9(6) . . ?
C8 C7 C6 121.7(6) . . ?
C12 C7 C6 122.3(6) . . ?
C13 C6 C7 123.0(6) . . ?
C13 C6 C3 118.7(6) . . ?
C3 C6 C7 118.2(6) . . ?
C39 C43 H43 107.2 . . ?
C39 C43 C45 110.9(7) . . ?
C44 C43 C39 113.5(6) . . ?
C44 C43 H43 107.2 . . ?
C44 C43 C45 110.5(6) . . ?
C45 C43 H43 107.2 . . ?
N1 C5 C4 122.2(6) . . ?
N1 C5 H5 118.9 . . ?
C4 C5 H5 118.9 . . ?
C80 C85 H85 107.4 . . ?
C80 C85 C86 109.7(6) . . ?
C87 C85 C80 113.4(6) . . ?
C87 C85 H85 107.4 . . ?
C87 C85 C86 111.2(6) . . ?
C86 C85 H85 107.4 . . ?
C35 C40 H40 107.3 . . ?
C35 C40 C41 112.2(6) . . ?
C35 C40 C42 110.3(7) . . ?
C41 C40 H40 107.3 . . ?
C41 C40 C42 112.1(7) . . ?
C42 C40 H40 107.3 . . ?
C53 C54 H54 121.3 . . ?
C55 C54 C53 117.5(7) . . ?
C55 C54 H54 121.3 . . ?
C52 C57 Cl9 120.7(6) . . ?
C56 C57 Cl9 116.9(7) . . ?
C56 C57 C52 122.2(8) . . ?
C23 C28 H28 107.6 . . ?
C23 C28 C29 112.4(6) . . ?
C29 C28 H28 107.6 . . ?
C30 C28 C23 110.4(6) . . ?
C30 C28 H28 107.6 . . ?
C30 C28 C29 111.0(6) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N4 C46 H46 119.6 . . ?
N4 C46 C47 120.7(6) . . ?
C47 C46 H46 119.6 . . ?
C72 C76 H76 107.8 . . ?
C72 C76 C77 111.1(8) . . ?
C78 C76 C72 112.3(7) . . ?
C78 C76 H76 107.8 . . ?
C78 C76 C77 110.0(7) . . ?
C77 C76 H76 107.8 . . ?
C84 C88 C89 111.2(6) . . ?
C84 C88 H88 107.2 . . ?
C84 C88 C90 113.0(7) . . ?
C89 C88 H88 107.2 . . ?
C90 C88 C89 110.8(6) . . ?
C90 C88 H88 107.2 . . ?
C13 C14 Cl4 119.0(7) . . ?
C13 C14 C15 122.9(8) . . ?
C15 C14 Cl4 118.0(6) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
F3 C47 C48 119.7(6) . . ?
F3 C47 C46 116.2(6) . . ?
C48 C47 C46 124.0(6) . . ?
C70 C71 C72 121.8(8) . . ?
C70 C71 H71 119.1 . . ?
C72 C71 H71 119.1 . . ?
C2 C3 C6 123.5(6) . . ?
C4 C3 C2 112.6(6) . . ?
C4 C3 C6 123.9(6) . . ?
C13 C18 Cl6 120.2(6) . . ?
C17 C18 Cl6 118.2(7) . . ?
C17 C18 C13 121.5(9) . . ?
C85 C87 H87A 109.5 . . ?
C85 C87 H87B 109.5 . . ?
C85 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C54 C55 Cl8 118.5(7) . . ?
C54 C55 C56 122.5(7) . . ?
C56 C55 Cl8 119.1(7) . . ?
C15 C16 Cl5 116.9(7) . . ?
C15 C16 C17 124.9(8) . . ?
C17 C16 Cl5 118.2(8) . . ?
C68 C73 H73 107.8 . . ?
C68 C73 C75 111.1(7) . . ?
C68 C73 C74 110.8(9) . . ?
C75 C73 H73 107.8 . . ?
C74 C73 H73 107.8 . . ?
C74 C73 C75 111.3(8) . . ?
C14 C15 H15 121.8 . . ?
C16 C15 C14 116.3(8) . . ?
C16 C15 H15 121.8 . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C57 C56 C55 119.1(8) . . ?
C57 C56 H56 120.5 . . ?
C55 C56 H56 120.5 . . ?
H99A C99 H99B 109.3 . . ?
C100 C99 H99A 111.5 . . ?
C100 C99 H99B 111.5 . . ?
C100 C99 C98 101.4(8) . . ?
C98 C99 H99A 111.5 . . ?
C98 C99 H99B 111.5 . . ?
C18 C17 H17 120.8 . . ?
C16 C17 C18 118.4(9) . . ?
C16 C17 H17 120.8 . . ?
C97 O1 C100 110.3(8) . . ?
C88 C90 H90A 109.5 . . ?
C88 C90 H90B 109.5 . . ?
C88 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C107 O2 C110 107.3(10) . . ?
C99 C100 H10M 110.2 . . ?
C99 C100 H10N 110.2 . . ?
O1 C100 C99 107.6(10) . . ?
O1 C100 H10M 110.2 . . ?
O1 C100 H10N 110.2 . . ?
H10M C100 H10N 108.5 . . ?
H96A C96 H96B 108.3 . . ?
C95 C96 H96A 109.9 . . ?
C95 C96 H96B 109.9 . . ?
C91 C96 H96A 109.9 . . ?
C91 C96 H96B 109.9 . . ?
C91 C96 C95 108.8(12) . . ?
O1 C97 H97A 110.2 . . ?
O1 C97 H97B 110.2 . . ?
O1 C97 C98 107.5(8) . . ?
H97A C97 H97B 108.5 . . ?
C98 C97 H97A 110.2 . . ?
C98 C97 H97B 110.2 . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C99 C98 H98A 111.5 . . ?
C99 C98 H98B 111.5 . . ?
C97 C98 C99 101.6(9) . . ?
C97 C98 H98A 111.5 . . ?
C97 C98 H98B 111.5 . . ?
H98A C98 H98B 109.3 . . ?
H10O C109 H10P 108.6 . . ?
C110 C109 H10O 110.4 . . ?
C110 C109 H10P 110.4 . . ?
C110 C109 C108 106.5(14) . . ?
C108 C109 H10O 110.4 . . ?
C108 C109 H10P 110.4 . . ?
H93A C93 H93B 108.0 . . ?
C94 C93 H93A 109.4 . . ?
C94 C93 H93B 109.4 . . ?
C92 C93 H93A 109.4 . . ?
C92 C93 H93B 109.4 . . ?
C92 C93 C94 111.3(11) . . ?
C96 C95 H95A 107.3 . . ?
C96 C95 H95B 107.3 . . ?
C96 C95 C94 120.1(12) . . ?
H95A C95 H95B 106.9 . . ?
C94 C95 H95A 107.3 . . ?
C94 C95 H95B 107.3 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C96 C91 H91A 108.3 . . ?
C96 C91 H91B 108.3 . . ?
H91A C91 H91B 107.4 . . ?
C92 C91 C96 115.9(13) . . ?
C92 C91 H91A 108.3 . . ?
C92 C91 H91B 108.3 . . ?
H10A C101 H10B 106.5 . . ?
C102 C101 H10A 106.5 . . ?
C102 C101 H10B 106.5 . . ?
C106 C101 H10A 106.5 . . ?
C106 C101 H10B 106.5 . . ?
C106 C101 C102 123.3(19) . . ?
H10C C104 H10D 106.7 . . ?
C103 C104 H10C 106.9 . . ?
C103 C104 H10D 106.9 . . ?
C105 C104 H10C 106.9 . . ?
C105 C104 H10D 106.9 . . ?
C105 C104 C103 122(2) . . ?
C93 C94 H94A 110.4 . . ?
C93 C94 H94B 110.4 . . ?
C95 C94 C93 106.5(11) . . ?
C95 C94 H94A 110.4 . . ?
C95 C94 H94B 110.4 . . ?
H94A C94 H94B 108.6 . . ?
C104 C103 H10E 108.8 . . ?
C104 C103 H10F 108.8 . . ?
C104 C103 C102 113.9(18) . . ?
H10E C103 H10F 107.7 . . ?
C102 C103 H10E 108.8 . . ?
C102 C103 H10F 108.8 . . ?
C93 C92 H92A 109.6 . . ?
C93 C92 H92B 109.6 . . ?
C91 C92 C93 110.2(16) . . ?
C91 C92 H92A 109.6 . . ?
C91 C92 H92B 109.6 . . ?
H92A C92 H92B 108.1 . . ?
O2 C110 H11A 110.2 . . ?
O2 C110 H11B 110.2 . . ?
C109 C110 O2 107.4(12) . . ?
C109 C110 H11A 110.2 . . ?
C109 C110 H11B 110.2 . . ?
H11A C110 H11B 108.5 . . ?
C101 C102 C103 111.2(18) . . ?
C101 C102 H10G 109.4 . . ?
C101 C102 H10H 109.4 . . ?
C103 C102 H10G 109.4 . . ?
C103 C102 H10H 109.4 . . ?
H10G C102 H10H 108.0 . . ?
O2 C107 H10Q 110.4 . . ?
O2 C107 H10R 110.4 . . ?
O2 C107 C108 106.7(12) . . ?
H10Q C107 H10R 108.6 . . ?
C108 C107 H10Q 110.4 . . ?
C108 C107 H10R 110.4 . . ?
C104 C105 H10I 106.6 . . ?
C104 C105 H10J 106.6 . . ?
H10I C105 H10J 106.5 . . ?
C106 C105 C104 123(2) . . ?
C106 C105 H10I 106.6 . . ?
C106 C105 H10J 106.6 . . ?
C101 C106 H10K 107.7 . . ?
C101 C106 H10L 107.7 . . ?
C105 C106 C101 119(2) . . ?
C105 C106 H10K 107.7 . . ?
C105 C106 H10L 107.7 . . ?
H10K C106 H10L 107.1 . . ?
C109 C108 H10S 112.3 . . ?
C109 C108 H10T 112.3 . . ?
C107 C108 C109 97.2(12) . . ?
C107 C108 H10S 112.3 . . ?
C107 C108 H10T 112.3 . . ?
H10S C108 H10T 109.9 . . ?
C1C O2A C111 98.4(17) . . ?
O2A C111 H11C 109.7 . . ?
O2A C111 H11D 109.7 . . ?
H11C C111 H11D 108.2 . . ?
C1A C111 O2A 109.7(17) . . ?
C1A C111 H11C 109.7 . . ?
C1A C111 H11D 109.7 . . ?
C111 C1A H1AA 108.6 . . ?
C111 C1A H1AB 108.6 . . ?
C111 C1A C1B 114.5(18) . . ?
H1AA C1A H1AB 107.6 . . ?
C1B C1A H1AA 108.6 . . ?
C1B C1A H1AB 108.6 . . ?
C1A C1B H1BA 111.3 . . ?
C1A C1B H1BB 111.3 . . ?
C1A C1B C1C 102(2) . . ?
H1BA C1B H1BB 109.2 . . ?
C1C C1B H1BA 111.3 . . ?
C1C C1B H1BB 111.3 . . ?
O2A C1C C1B 109.5(19) . . ?
O2A C1C H1CA 109.8 . . ?
O2A C1C H1CB 109.8 . . ?
C1B C1C H1CA 109.8 . . ?
C1B C1C H1CB 109.8 . . ?
H1CA C1C H1CB 108.2 . . ?
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 N1 2.054(5) . ?
Au1 C19 1.982(6) . ?
Au2 N4 2.063(5) . ?
Au2 C64 1.988(6) . ?
Sb2 F12 1.882(4) . ?
Sb2 F13 1.862(4) . ?
Sb2 F14 1.863(4) . ?
Sb2 F15 1.874(4) . ?
Sb2 F16 1.865(4) . ?
Sb2 F11 1.867(4) . ?
Sb1 F10 1.856(4) . ?
Sb1 F8 1.858(5) . ?
Sb1 F5 1.876(4) . ?
Sb1 F7 1.870(4) . ?
Sb1 F9 1.849(5) . ?
Sb1 F6 1.868(5) . ?
Cl11 C61 1.733(6) . ?
Cl10 C59 1.723(7) . ?
Cl2 C10 1.733(7) . ?
Cl1 C8 1.740(7) . ?
Cl12 C63 1.735(6) . ?
Cl3 C12 1.736(7) . ?
Cl9 C57 1.731(8) . ?
Cl7 C53 1.723(8) . ?
Cl6 C18 1.705(10) . ?
Cl4 C14 1.730(9) . ?
Cl8 C55 1.733(8) . ?
Cl5 C16 1.763(9) . ?
F4 C49 1.350(7) . ?
F3 C47 1.341(7) . ?
F1 C2 1.334(7) . ?
F2 C4 1.326(7) . ?
N3 C19 1.344(7) . ?
N3 C21 1.468(7) . ?
N3 C34 1.444(7) . ?
N2 C22 1.444(7) . ?
N2 C19 1.314(7) . ?
N2 C20 1.474(7) . ?
N5 C64 1.323(7) . ?
N5 C67 1.448(7) . ?
N5 C65 1.484(7) . ?
N6 C64 1.319(8) . ?
N6 C66 1.489(8) . ?
N6 C79 1.438(7) . ?
N4 C50 1.351(8) . ?
N4 C46 1.327(8) . ?
N1 C1 1.364(8) . ?
N1 C5 1.334(8) . ?
C22 C23 1.388(8) . ?
C22 C27 1.389(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.372(9) . ?
C25 C24 1.370(9) . ?
C23 C24 1.400(9) . ?
C23 C28 1.526(9) . ?
C27 C26 1.400(8) . ?
C27 C31 1.523(8) . ?
C10 C11 1.385(10) . ?
C10 C9 1.365(9) . ?
C26 H26 0.9500 . ?
C60 H60 0.9500 . ?
C60 C59 1.386(9) . ?
C60 C61 1.378(9) . ?
C59 C58 1.415(9) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C20 1.535(8) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32 C31 1.527(9) . ?
C61 C62 1.383(9) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C65 1.540(8) . ?
C11 H11 0.9500 . ?
C11 C12 1.373(10) . ?
C34 C35 1.382(8) . ?
C34 C39 1.395(9) . ?
C35 C36 1.413(9) . ?
C35 C40 1.507(9) . ?
C62 H62 0.9500 . ?
C62 C63 1.372(9) . ?
C67 C72 1.398(9) . ?
C67 C68 1.400(9) . ?
C9 H9 0.9500 . ?
C9 C8 1.372(9) . ?
C82 H82 0.9500 . ?
C82 C83 1.379(10) . ?
C82 C81 1.376(10) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C58 C63 1.399(9) . ?
C58 C51 1.469(9) . ?
C83 H83 0.9500 . ?
C83 C84 1.384(9) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C49 C48 1.400(9) . ?
C49 C50 1.361(9) . ?
C31 H31 1.0000 . ?
C31 C33 1.532(9) . ?
C52 C51 1.466(9) . ?
C52 C53 1.407(10) . ?
C52 C57 1.405(10) . ?
C37 H37 0.9500 . ?
C37 C36 1.374(10) . ?
C37 C38 1.377(10) . ?
C39 C38 1.399(9) . ?
C39 C43 1.519(10) . ?
C81 H81 0.9500 . ?
C81 C80 1.405(9) . ?
C24 H24 0.9500 . ?
C80 C79 1.399(9) . ?
C80 C85 1.520(9) . ?
C79 C84 1.397(9) . ?
C36 H36 0.9500 . ?
C70 H70 0.9500 . ?
C70 C69 1.372(12) . ?
C70 C71 1.367(12) . ?
C84 C88 1.502(9) . ?
C69 H69 0.9500 . ?
C69 C68 1.396(10) . ?
C2 C1 1.363(9) . ?
C2 C3 1.410(9) . ?
C72 C76 1.526(10) . ?
C72 C71 1.393(10) . ?
C48 C51 1.444(9) . ?
C48 C47 1.384(9) . ?
C1 H1 0.9500 . ?
C38 H38 0.9500 . ?
C8 C7 1.385(10) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C13 C6 1.452(10) . ?
C13 C14 1.390(10) . ?
C13 C18 1.440(11) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C89 C88 1.535(11) . ?
C50 H50 0.9500 . ?
C68 C73 1.504(11) . ?
C4 C5 1.367(9) . ?
C4 C3 1.392(9) . ?
C53 C54 1.394(10) . ?
C12 C7 1.398(9) . ?
C7 C6 1.483(9) . ?
C6 C3 1.456(9) . ?
C43 H43 1.0000 . ?
C43 C44 1.509(11) . ?
C43 C45 1.535(11) . ?
C5 H5 0.9500 . ?
C85 H85 1.0000 . ?
C85 C87 1.509(10) . ?
C85 C86 1.529(11) . ?
C40 H40 1.0000 . ?
C40 C41 1.519(11) . ?
C40 C42 1.529(11) . ?
C54 H54 0.9500 . ?
C54 C55 1.374(12) . ?
C57 C56 1.370(10) . ?
C28 H28 1.0000 . ?
C28 C29 1.530(9) . ?
C28 C30 1.517(11) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C46 H46 0.9500 . ?
C46 C47 1.386(9) . ?
C76 H76 1.0000 . ?
C76 C78 1.517(12) . ?
C76 C77 1.528(12) . ?
C88 H88 1.0000 . ?
C88 C90 1.519(11) . ?
C14 C15 1.425(12) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C71 H71 0.9500 . ?
C18 C17 1.383(11) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C55 C56 1.375(12) . ?
C16 C15 1.356(13) . ?
C16 C17 1.361(12) . ?
C73 H73 1.0000 . ?
C73 C75 1.522(14) . ?
C73 C74 1.522(13) . ?
C15 H15 0.9500 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C56 H56 0.9500 . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C99 C100 1.470(14) . ?
C99 C98 1.514(13) . ?
C17 H17 0.9500 . ?
O1 C100 1.382(12) . ?
O1 C97 1.370(13) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
O2 C110 1.481(16) . ?
O2 C107 1.420(17) . ?
C100 H10M 0.9900 . ?
C100 H10N 0.9900 . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C96 C95 1.460(18) . ?
C96 C91 1.459(16) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C97 C98 1.506(15) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C109 H10O 0.9900 . ?
C109 H10P 0.9900 . ?
C109 C110 1.39(2) . ?
C109 C108 1.56(2) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C93 C94 1.54(2) . ?
C93 C92 1.458(18) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C95 C94 1.49(2) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C91 C92 1.391(17) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C102 1.40(2) . ?
C101 C106 1.39(2) . ?
C104 H10C 0.9900 . ?
C104 H10D 0.9900 . ?
C104 C103 1.46(2) . ?
C104 C105 1.33(2) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C103 H10E 0.9900 . ?
C103 H10F 0.9900 . ?
C103 C102 1.56(2) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C102 H10G 0.9900 . ?
C102 H10H 0.9900 . ?
C107 H10Q 0.9900 . ?
C107 H10R 0.9900 . ?
C107 C108 1.53(2) . ?
C105 H10I 0.9900 . ?
C105 H10J 0.9900 . ?
C105 C106 1.29(2) . ?
C106 H10K 0.9900 . ?
C106 H10L 0.9900 . ?
C108 H10S 0.9900 . ?
C108 H10T 0.9900 . ?
O2A C111 1.54(2) . ?
O2A C1C 1.47(3) . ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C111 C1A 1.34(2) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C1A C1B 1.38(3) . ?
C1B H1BA 0.9900 . ?
C1B H1BB 0.9900 . ?
C1B C1C 1.55(3) . ?
C1C H1CA 0.9900 . ?
C1C H1CB 0.9900 . ?
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 N1 C1 C2 -178.9(5) . . . . ?
Au1 N1 C5 C4 177.7(5) . . . . ?
Au2 N4 C50 C49 177.3(5) . . . . ?
Au2 N4 C46 C47 -178.8(5) . . . . ?
Cl11 C61 C62 C63 179.9(5) . . . . ?
Cl10 C59 C58 C63 -176.1(5) . . . . ?
Cl10 C59 C58 C51 2.9(9) . . . . ?
Cl2 C10 C11 C12 178.6(6) . . . . ?
Cl2 C10 C9 C8 -179.9(5) . . . . ?
Cl1 C8 C7 C12 172.6(5) . . . . ?
Cl1 C8 C7 C6 -9.2(10) . . . . ?
Cl3 C12 C7 C8 179.5(5) . . . . ?
Cl3 C12 C7 C6 1.3(10) . . . . ?
Cl9 C57 C56 C55 173.5(6) . . . . ?
Cl7 C53 C54 C55 175.6(6) . . . . ?
Cl6 C18 C17 C16 -173.9(6) . . . . ?
Cl4 C14 C15 C16 -176.3(6) . . . . ?
Cl8 C55 C56 C57 179.0(6) . . . . ?
Cl5 C16 C15 C14 179.6(6) . . . . ?
Cl5 C16 C17 C18 178.9(6) . . . . ?
F4 C49 C48 C51 4.0(10) . . . . ?
F4 C49 C48 C47 -177.5(6) . . . . ?
F4 C49 C50 N4 178.6(6) . . . . ?
F1 C2 C1 N1 -178.2(6) . . . . ?
F1 C2 C3 C4 178.6(6) . . . . ?
F1 C2 C3 C6 1.0(10) . . . . ?
F2 C4 C5 N1 -176.7(6) . . . . ?
F2 C4 C3 C2 177.3(6) . . . . ?
F2 C4 C3 C6 -5.1(11) . . . . ?
N3 C21 C20 N2 4.2(6) . . . . ?
N3 C34 C35 C36 -172.6(6) . . . . ?
N3 C34 C35 C40 6.7(9) . . . . ?
N3 C34 C39 C38 172.7(6) . . . . ?
N3 C34 C39 C43 -5.8(9) . . . . ?
N2 C22 C23 C24 -179.5(6) . . . . ?
N2 C22 C23 C28 -0.2(9) . . . . ?
N2 C22 C27 C26 -178.6(5) . . . . ?
N2 C22 C27 C31 3.1(9) . . . . ?
N5 C67 C72 C76 5.8(10) . . . . ?
N5 C67 C72 C71 -171.5(6) . . . . ?
N5 C67 C68 C69 171.2(6) . . . . ?
N5 C67 C68 C73 -7.4(10) . . . . ?
N6 C66 C65 N5 -6.7(6) . . . . ?
N6 C79 C84 C83 179.3(6) . . . . ?
N6 C79 C84 C88 2.2(10) . . . . ?
N4 C46 C47 F3 179.1(6) . . . . ?
N4 C46 C47 C48 2.8(11) . . . . ?
C22 N2 C19 Au1 -1.7(8) . . . . ?
C22 N2 C19 N3 178.0(5) . . . . ?
C22 N2 C20 C21 -179.9(5) . . . . ?
C22 C23 C24 C25 -2.6(10) . . . . ?
C22 C23 C28 C29 128.8(7) . . . . ?
C22 C23 C28 C30 -106.7(7) . . . . ?
C22 C27 C26 C25 -1.3(9) . . . . ?
C22 C27 C31 C32 -119.2(6) . . . . ?
C22 C27 C31 C33 116.6(6) . . . . ?
C23 C22 C27 C26 0.8(9) . . . . ?
C23 C22 C27 C31 -177.5(6) . . . . ?
C27 C22 C23 C24 1.1(9) . . . . ?
C27 C22 C23 C28 -179.6(6) . . . . ?
C19 N3 C21 C20 -3.0(6) . . . . ?
C19 N3 C34 C35 89.4(7) . . . . ?
C19 N3 C34 C39 -85.6(7) . . . . ?
C19 N2 C22 C23 92.1(7) . . . . ?
C19 N2 C22 C27 -88.5(7) . . . . ?
C19 N2 C20 C21 -4.5(6) . . . . ?
C10 C11 C12 Cl3 -176.0(5) . . . . ?
C10 C11 C12 C7 0.9(11) . . . . ?
C10 C9 C8 Cl1 -174.9(5) . . . . ?
C10 C9 C8 C7 1.9(11) . . . . ?
C26 C25 C24 C23 2.3(11) . . . . ?
C26 C27 C31 C32 62.5(8) . . . . ?
C26 C27 C31 C33 -61.6(8) . . . . ?
C60 C59 C58 C63 0.3(9) . . . . ?
C60 C59 C58 C51 179.4(6) . . . . ?
C60 C61 C62 C63 -1.0(10) . . . . ?
C59 C60 C61 Cl11 -179.9(5) . . . . ?
C59 C60 C61 C62 1.0(10) . . . . ?
C59 C58 C63 Cl12 -176.5(5) . . . . ?
C59 C58 C63 C62 -0.3(10) . . . . ?
C59 C58 C51 C52 56.4(9) . . . . ?
C59 C58 C51 C48 -124.6(7) . . . . ?
C21 N3 C19 Au1 -179.9(4) . . . . ?
C21 N3 C19 N2 0.4(7) . . . . ?
C21 N3 C34 C35 -92.4(7) . . . . ?
C21 N3 C34 C39 92.6(7) . . . . ?
C61 C60 C59 Cl10 175.9(5) . . . . ?
C61 C60 C59 C58 -0.6(9) . . . . ?
C61 C62 C63 Cl12 176.9(5) . . . . ?
C61 C62 C63 C58 0.6(10) . . . . ?
C64 N5 C67 C72 88.2(7) . . . . ?
C64 N5 C67 C68 -87.7(8) . . . . ?
C64 N5 C65 C66 4.8(6) . . . . ?
C64 N6 C66 C65 7.4(6) . . . . ?
C64 N6 C79 C80 -100.5(7) . . . . ?
C64 N6 C79 C84 80.5(8) . . . . ?
C66 N6 C64 Au2 172.7(4) . . . . ?
C66 N6 C64 N5 -4.7(7) . . . . ?
C66 N6 C79 C80 89.6(7) . . . . ?
C66 N6 C79 C84 -89.5(7) . . . . ?
C11 C10 C9 C8 2.0(10) . . . . ?
C11 C12 C7 C8 2.7(11) . . . . ?
C11 C12 C7 C6 -175.4(7) . . . . ?
C34 N3 C19 Au1 -1.5(7) . . . . ?
C34 N3 C19 N2 178.8(5) . . . . ?
C34 N3 C21 C20 178.6(5) . . . . ?
C34 C35 C36 C37 0.3(10) . . . . ?
C34 C35 C40 C41 124.0(7) . . . . ?
C34 C35 C40 C42 -110.2(7) . . . . ?
C34 C39 C38 C37 -0.4(11) . . . . ?
C34 C39 C43 C44 -124.4(7) . . . . ?
C34 C39 C43 C45 110.6(7) . . . . ?
C35 C34 C39 C38 -2.1(10) . . . . ?
C35 C34 C39 C43 179.5(6) . . . . ?
C67 N5 C64 Au2 1.7(8) . . . . ?
C67 N5 C64 N6 179.3(5) . . . . ?
C67 N5 C65 C66 -174.8(5) . . . . ?
C67 C72 C76 C78 129.8(8) . . . . ?
C67 C72 C76 C77 -106.6(8) . . . . ?
C67 C72 C71 C70 -0.9(11) . . . . ?
C67 C68 C73 C75 -121.1(9) . . . . ?
C67 C68 C73 C74 114.6(8) . . . . ?
C9 C10 C11 C12 -3.3(11) . . . . ?
C9 C8 C7 C12 -4.2(11) . . . . ?
C9 C8 C7 C6 174.0(7) . . . . ?
C82 C83 C84 C79 -0.6(10) . . . . ?
C82 C83 C84 C88 176.6(7) . . . . ?
C82 C81 C80 C79 -0.4(10) . . . . ?
C82 C81 C80 C85 177.7(7) . . . . ?
C65 N5 C64 Au2 -178.0(4) . . . . ?
C65 N5 C64 N6 -0.4(7) . . . . ?
C65 N5 C67 C72 -92.2(7) . . . . ?
C65 N5 C67 C68 91.9(7) . . . . ?
C83 C82 C81 C80 0.1(11) . . . . ?
C83 C84 C88 C89 -61.7(9) . . . . ?
C83 C84 C88 C90 63.7(9) . . . . ?
C20 N2 C22 C23 -93.1(7) . . . . ?
C20 N2 C22 C27 86.3(7) . . . . ?
C20 N2 C19 Au1 -176.9(4) . . . . ?
C20 N2 C19 N3 2.7(7) . . . . ?
C49 C48 C51 C58 26.6(10) . . . . ?
C49 C48 C51 C52 -154.5(7) . . . . ?
C49 C48 C47 F3 -178.1(6) . . . . ?
C49 C48 C47 C46 -2.0(9) . . . . ?
C31 C27 C26 C25 177.1(6) . . . . ?
C52 C53 C54 C55 -2.0(11) . . . . ?
C52 C57 C56 C55 -1.0(12) . . . . ?
C39 C34 C35 C36 2.2(10) . . . . ?
C39 C34 C35 C40 -178.5(6) . . . . ?
C81 C82 C83 C84 0.4(11) . . . . ?
C81 C80 C79 N6 -178.8(6) . . . . ?
C81 C80 C79 C84 0.2(10) . . . . ?
C81 C80 C85 C87 41.4(10) . . . . ?
C81 C80 C85 C86 -83.6(8) . . . . ?
C24 C25 C26 C27 -0.2(10) . . . . ?
C24 C23 C28 C29 -51.9(9) . . . . ?
C24 C23 C28 C30 72.6(8) . . . . ?
C80 C79 C84 C83 0.3(10) . . . . ?
C80 C79 C84 C88 -176.8(7) . . . . ?
C79 N6 C64 Au2 2.0(9) . . . . ?
C79 N6 C64 N5 -175.4(5) . . . . ?
C79 N6 C66 C65 178.6(5) . . . . ?
C79 C80 C85 C87 -140.5(7) . . . . ?
C79 C80 C85 C86 94.4(8) . . . . ?
C79 C84 C88 C89 115.3(7) . . . . ?
C79 C84 C88 C90 -119.3(7) . . . . ?
C36 C35 C40 C41 -56.7(9) . . . . ?
C36 C35 C40 C42 69.1(8) . . . . ?
C36 C37 C38 C39 2.8(11) . . . . ?
C70 C69 C68 C67 1.5(11) . . . . ?
C70 C69 C68 C73 -179.9(8) . . . . ?
C63 C58 C51 C52 -124.6(7) . . . . ?
C63 C58 C51 C48 54.4(9) . . . . ?
C69 C70 C71 C72 -1.8(12) . . . . ?
C69 C68 C73 C75 60.4(11) . . . . ?
C69 C68 C73 C74 -63.9(10) . . . . ?
C72 C67 C68 C69 -4.5(10) . . . . ?
C72 C67 C68 C73 177.0(7) . . . . ?
C48 C49 C50 N4 0.7(11) . . . . ?
C1 N1 C5 C4 -0.4(10) . . . . ?
C1 C2 C3 C4 -1.3(10) . . . . ?
C1 C2 C3 C6 -178.8(7) . . . . ?
C38 C37 C36 C35 -2.7(11) . . . . ?
C38 C39 C43 C44 57.2(9) . . . . ?
C38 C39 C43 C45 -67.8(9) . . . . ?
C8 C7 C6 C13 130.8(8) . . . . ?
C8 C7 C6 C3 -50.2(10) . . . . ?
C51 C58 C63 Cl12 4.4(9) . . . . ?
C51 C58 C63 C62 -179.4(6) . . . . ?
C51 C52 C53 Cl7 -0.2(9) . . . . ?
C51 C52 C53 C54 177.4(7) . . . . ?
C51 C52 C57 Cl9 9.8(9) . . . . ?
C51 C52 C57 C56 -175.8(7) . . . . ?
C51 C48 C47 F3 0.4(10) . . . . ?
C51 C48 C47 C46 176.5(7) . . . . ?
C13 C6 C3 C2 141.8(7) . . . . ?
C13 C6 C3 C4 -35.5(10) . . . . ?
C13 C14 C15 C16 0.3(12) . . . . ?
C13 C18 C17 C16 2.6(11) . . . . ?
C50 N4 C46 C47 -1.7(10) . . . . ?
C50 C49 C48 C51 -178.2(7) . . . . ?
C50 C49 C48 C47 0.3(10) . . . . ?
C68 C67 C72 C76 -178.5(7) . . . . ?
C68 C67 C72 C71 4.2(10) . . . . ?
C53 C52 C51 C58 -128.9(7) . . . . ?
C53 C52 C51 C48 52.2(10) . . . . ?
C53 C52 C57 Cl9 -172.3(5) . . . . ?
C53 C52 C57 C56 2.0(10) . . . . ?
C53 C54 C55 Cl8 -177.6(6) . . . . ?
C53 C54 C55 C56 3.2(12) . . . . ?
C12 C7 C6 C13 -51.1(10) . . . . ?
C12 C7 C6 C3 127.9(8) . . . . ?
C7 C6 C3 C2 -37.3(10) . . . . ?
C7 C6 C3 C4 145.5(7) . . . . ?
C6 C13 C14 Cl4 1.6(11) . . . . ?
C6 C13 C14 C15 -175.0(7) . . . . ?
C6 C13 C18 Cl6 -9.9(10) . . . . ?
C6 C13 C18 C17 173.6(7) . . . . ?
C43 C39 C38 C37 178.0(7) . . . . ?
C5 N1 C1 C2 -0.7(9) . . . . ?
C5 C4 C3 C2 0.1(10) . . . . ?
C5 C4 C3 C6 177.6(7) . . . . ?
C85 C80 C79 N6 3.0(9) . . . . ?
C85 C80 C79 C84 -178.0(6) . . . . ?
C40 C35 C36 C37 -179.0(7) . . . . ?
C54 C55 C56 C57 -1.7(12) . . . . ?
C57 C52 C51 C58 48.8(9) . . . . ?
C57 C52 C51 C48 -130.1(7) . . . . ?
C57 C52 C53 Cl7 -178.0(5) . . . . ?
C57 C52 C53 C54 -0.4(10) . . . . ?
C28 C23 C24 C25 178.0(7) . . . . ?
C46 N4 C50 C49 0.0(10) . . . . ?
C76 C72 C71 C70 -178.2(7) . . . . ?
C14 C13 C6 C7 -52.5(11) . . . . ?
C14 C13 C6 C3 128.5(8) . . . . ?
C14 C13 C18 Cl6 172.8(6) . . . . ?
C14 C13 C18 C17 -3.6(11) . . . . ?
C47 C48 C51 C58 -151.7(7) . . . . ?
C47 C48 C51 C52 27.2(10) . . . . ?
C71 C70 C69 C68 1.5(12) . . . . ?
C71 C72 C76 C78 -53.1(10) . . . . ?
C71 C72 C76 C77 70.6(9) . . . . ?
C3 C2 C1 N1 1.6(10) . . . . ?
C3 C4 C5 N1 0.8(11) . . . . ?
C18 C13 C6 C7 130.5(7) . . . . ?
C18 C13 C6 C3 -48.5(10) . . . . ?
C18 C13 C14 Cl4 178.7(6) . . . . ?
C18 C13 C14 C15 2.1(11) . . . . ?
C15 C16 C17 C18 0.1(13) . . . . ?
C17 C16 C15 C14 -1.5(13) . . . . ?
O1 C97 C98 C99 23.7(11) . . . . ?
O2 C107 C108 C109 -35.1(15) . . . . ?
C100 C99 C98 C97 -32.3(12) . . . . ?
C100 O1 C97 C98 -4.6(13) . . . . ?
C96 C95 C94 C93 46.0(19) . . . . ?
C96 C91 C92 C93 -60.7(18) . . . . ?
C97 O1 C100 C99 -17.5(13) . . . . ?
C98 C99 C100 O1 31.5(13) . . . . ?
C95 C96 C91 C92 50.0(18) . . . . ?
C91 C96 C95 C94 -44(2) . . . . ?
C104 C103 C102 C101 -15(3) . . . . ?
C104 C105 C106 C101 -2(4) . . . . ?
C94 C93 C92 C91 60.9(17) . . . . ?
C103 C104 C105 C106 18(4) . . . . ?
C92 C93 C94 C95 -51.6(17) . . . . ?
C110 O2 C107 C108 22.5(14) . . . . ?
C110 C109 C108 C107 36.8(16) . . . . ?
C102 C101 C106 C105 -25(4) . . . . ?
C107 O2 C110 C109 2.3(15) . . . . ?
C105 C104 C103 C102 -8(3) . . . . ?
C106 C101 C102 C103 32(3) . . . . ?
C108 C109 C110 O2 -25.6(16) . . . . ?
O2A C111 C1A C1B 16(3) . . . . ?
C111 O2A C1C C1B 22(2) . . . . ?
C111 C1A C1B C1C -2(3) . . . . ?
C1A C1B C1C O2A -14(3) . . . . ?
C1C O2A C111 C1A -23(2) . . . . ?
