# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
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# Crystallographic Data Centre (CCDC).
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data_ch_mh_0306
_database_code_depnum_ccdc_archive 'CCDC 1980226'
loop_
_audit_author_name
_audit_author_address
'Cynthia Hong'
;University of California, Berkeley
United States of America
;
_audit_update_record             
;
2020-01-27 deposited with the CCDC.	2020-03-11 downloaded from the CCDC.
;
_chemical_name_common            'compound 1'
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C38 H37 Au N3 O2, C2 F6 N O4 S2, 2(C4 H8 O2), H2 O'
_chemical_formula_sum            'C48 H55 Au F6 N4 O11 S2'
_chemical_formula_weight         1239.04
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.1199(2)
_cell_length_b                   23.4191(6)
_cell_length_c                   23.6083(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5042.3(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    30502
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.9370
_cell_measurement_theta_min      3.3210

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    3.086
_shelx_estimated_absorpt_T_max   0.861
_shelx_estimated_absorpt_T_min   0.458
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.28251
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45f (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      100(2)
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom DW system, Pilatus 200K'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Pilatus 200K'

_diffrn_reflns_number            148806
_diffrn_reflns_av_R_equivalents  0.1034
_diffrn_reflns_av_unetI/netI     0.0573
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.941
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.918
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.698
_diffrn_reflns_theta_min         3.316

_reflns_Friedel_coverage         0.772
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.891
_reflns_number_gt                11664
_reflns_number_total             13136
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_data_collection       'CrysAlisPro 1.171.39.45f (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45f (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45f (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'

_refine_diff_density_max         0.623
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.110
_refine_ls_abs_structure_details 
;
 Flack x determined using 4640 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.009(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     669
_refine_ls_number_reflns         13136
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0309
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0189P)²+0.9245P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0512
_refine_ls_wR_factor_ref         0.0529
_refine_special_details          ?
_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.a Ternary CH refined with riding coordinates:
 C26(H26), C18(H18)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1C,H1D), C9(H9A,H9B), C17(H17A,H17B), C4(H4A,H4B), C2(H2A,H2B), C19(H19A,
 H19B), C10(H10A,H10B), C46(H46A,H46B), C12(H12A,H12B), C11(H11A,H11B), C3(H3A,
 H3B), C42(H42A,H42B)
2.c Aromatic/amide H refined with riding coordinates:
 C24(H24), C37(H37), C28(H28), C23(H23), C14(H14), C30(H30), C36(H36),
 C21(H21), C34(H34), C29(H29), C35(H35), C31(H31), C22(H22)
2.d Idealised Me refined as rotating group:
 C41(H41A,H41B,H41C), C48(H48A,H48B,H48C), C44(H44A,H44B,H44C), C45(H45A,H45B,
 H45C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.68733(2) 0.71426(2) 0.23408(2) 0.01273(4) Uani 1 1 d . . . . .
S2 S 0.77555(12) 0.51033(5) 0.04192(5) 0.0217(3) Uani 1 1 d . . . . .
S1 S 0.60714(14) 0.41308(5) 0.06203(6) 0.0277(3) Uani 1 1 d . . . . .
O1 O 0.4872(3) 0.73116(15) 0.27786(14) 0.0184(7) Uani 1 1 d . . . . .
F1 F 0.4307(4) 0.47253(13) -0.00303(14) 0.0377(8) Uani 1 1 d . . . . .
F4 F 1.0528(3) 0.51920(16) 0.01863(16) 0.0478(9) Uani 1 1 d . . . . .
F3 F 0.3427(4) 0.39244(14) 0.02596(15) 0.0440(9) Uani 1 1 d . . . . .
F2 F 0.3563(3) 0.46413(15) 0.08293(16) 0.0442(9) Uani 1 1 d . . . . .
O10 O 0.5006(3) 0.70695(16) 0.38772(14) 0.0266(8) Uani 1 1 d . . . . .
F6 F 1.0099(4) 0.49023(19) 0.10347(16) 0.0538(10) Uani 1 1 d . . . . .
N3 N 0.5398(4) 0.65970(15) 0.12706(16) 0.0124(7) Uani 1 1 d . . . . .
N1 N 0.4983(4) 0.61008(15) 0.19998(17) 0.0149(7) Uani 1 1 d . . . . .
O6 O 0.7766(4) 0.56611(14) 0.06640(17) 0.0316(9) Uani 1 1 d . . . . .
O5 O 0.7470(4) 0.50552(16) -0.01704(18) 0.0308(8) Uani 1 1 d . . . . .
C38 C 0.8073(5) 0.77136(16) 0.28038(17) 0.0170(9) Uani 1 1 d . . . . .
O9 O 0.6461(3) 0.71094(17) 0.46306(15) 0.0315(8) Uani 1 1 d . . . . .
F5 F 0.9823(4) 0.43291(16) 0.0335(2) 0.0588(12) Uani 1 1 d . . . . .
N2 N 0.4249(4) 0.58215(15) 0.15662(17) 0.0166(8) Uani 1 1 d . . . . .
O2 O 0.4125(3) 0.65732(13) 0.02279(14) 0.0194(7) Uani 1 1 d . . . . .
C15 C 0.5696(4) 0.65717(17) 0.18317(19) 0.0137(9) Uani 1 1 d . . . . .
O7 O 0.7969(4) 0.94751(15) 0.18070(17) 0.0349(9) Uani 1 1 d . . . . .
C24 C 0.4655(4) 0.7912(2) 0.13132(19) 0.0169(9) Uani 1 1 d . . . . .
H24 H 0.4777 0.7776 0.1689 0.020 Uiso 1 1 calc R . . . .
C37 C 0.7605(5) 0.80163(18) 0.3273(2) 0.0190(10) Uani 1 1 d . . . . .
H37 H 0.6632 0.7969 0.3408 0.023 Uiso 1 1 calc R . . . .
O8 O 0.5988(4) 0.90058(17) 0.21150(17) 0.0366(9) Uani 1 1 d . . . . .
C33 C 0.9513(4) 0.77914(17) 0.2598(2) 0.0170(8) Uani 1 1 d . . . . .
O3 O 0.6642(5) 0.38630(15) 0.01281(18) 0.0433(10) Uani 1 1 d . . . . .
C28 C 0.9116(5) 0.66342(19) 0.1536(2) 0.0179(9) Uani 1 1 d . . . . .
H28 H 0.8384 0.6368 0.1427 0.021 Uiso 1 1 calc R . . . .
O4 O 0.5775(5) 0.37862(18) 0.11078(19) 0.0463(11) Uani 1 1 d . . . . .
C16 C 0.4534(4) 0.61362(18) 0.11287(19) 0.0144(9) Uani 1 1 d . . . . .
N4 N 0.6866(5) 0.46953(16) 0.08254(16) 0.0248(8) Uani 1 1 d . . . . .
C26 C 0.5901(4) 0.70167(17) 0.08530(19) 0.0140(9) Uani 1 1 d . . . . .
H26 H 0.6981 0.7074 0.0898 0.017 Uiso 1 1 calc R . . . .
C7 C 0.5044(4) 0.58478(17) 0.25567(19) 0.0142(9) Uani 1 1 d . . . . .
C6 C 0.6243(4) 0.54915(17) 0.2676(2) 0.0169(8) Uani 1 1 d . . . . .
C47 C 0.6150(5) 0.6939(2) 0.4111(2) 0.0236(10) Uani 1 1 d . . . . .
C23 C 0.3980(5) 0.84355(19) 0.1214(2) 0.0201(10) Uani 1 1 d . . . . .
H23 H 0.3626 0.8657 0.1522 0.024 Uiso 1 1 calc R . . . .
C1 C 0.7338(5) 0.5348(2) 0.2213(2) 0.0239(11) Uani 1 1 d . . . . .
H1C H 0.7647 0.5706 0.2025 0.029 Uiso 1 1 calc R . . . .
H1D H 0.6847 0.5107 0.1926 0.029 Uiso 1 1 calc R . . . .
C14 C 0.5216(5) 0.53680(19) 0.3603(2) 0.0207(10) Uani 1 1 d . . . . .
H14 H 0.5293 0.5213 0.3974 0.025 Uiso 1 1 calc R . . . .
C27 C 0.8822(4) 0.70387(18) 0.19488(19) 0.0161(9) Uani 1 1 d . . . . .
C5 C 0.6331(5) 0.52523(18) 0.3212(2) 0.0172(9) Uani 1 1 d . . . . .
C30 C 1.1541(4) 0.70206(19) 0.1430(2) 0.0219(11) Uani 1 1 d . . . . .
H30 H 1.2467 0.7019 0.1246 0.026 Uiso 1 1 calc R . . . .
C36 C 0.8558(5) 0.8392(2) 0.3548(2) 0.0243(11) Uani 1 1 d . . . . .
H36 H 0.8243 0.8592 0.3876 0.029 Uiso 1 1 calc R . . . .
C9 C 0.2538(4) 0.62722(18) 0.27507(19) 0.0178(9) Uani 1 1 d . . . . .
H9A H 0.1953 0.6029 0.2493 0.021 Uiso 1 1 calc R . . . .
H9B H 0.2843 0.6615 0.2536 0.021 Uiso 1 1 calc R . . . .
C20 C 0.4984(4) 0.77833(19) 0.03073(18) 0.0156(9) Uani 1 1 d . . . . .
C17 C 0.4052(5) 0.60454(19) 0.0528(2) 0.0182(9) Uani 1 1 d . . . . .
H17A H 0.4694 0.5760 0.0343 0.022 Uiso 1 1 calc R . . . .
H17B H 0.3034 0.5898 0.0522 0.022 Uiso 1 1 calc R . . . .
C21 C 0.4340(5) 0.83130(19) 0.0206(2) 0.0206(10) Uani 1 1 d . . . . .
H21 H 0.4252 0.8455 -0.0170 0.025 Uiso 1 1 calc R . . . .
C43 C 0.6988(6) 0.9330(2) 0.2207(2) 0.0282(11) Uani 1 1 d . . . . .
C25 C 0.5143(4) 0.75931(18) 0.0862(2) 0.0148(9) Uani 1 1 d . . . . .
C39 C 0.4239(6) 0.4375(2) 0.0412(2) 0.0309(12) Uani 1 1 d . . . . .
C13 C 0.4008(4) 0.56991(19) 0.3473(2) 0.0176(9) Uani 1 1 d . . . . .
C4 C 0.7605(5) 0.4874(2) 0.3379(2) 0.0223(10) Uani 1 1 d . . . . .
H4A H 0.7256 0.4576 0.3645 0.027 Uiso 1 1 calc R . . . .
H4B H 0.8353 0.5106 0.3577 0.027 Uiso 1 1 calc R . . . .
C8 C 0.3897(5) 0.59462(18) 0.2933(2) 0.0164(9) Uani 1 1 d . . . . .
C34 C 1.0449(5) 0.81763(19) 0.2870(2) 0.0242(11) Uani 1 1 d . . . . .
H34 H 1.1415 0.8235 0.2732 0.029 Uiso 1 1 calc R . . . .
C41 C 0.8414(7) 0.8621(3) 0.1253(3) 0.0489(16) Uani 1 1 d . . . . .
H41A H 0.8262 0.8446 0.0880 0.073 Uiso 1 1 calc GR . . . .
H41B H 0.7931 0.8389 0.1544 0.073 Uiso 1 1 calc GR . . . .
H41C H 0.9467 0.8642 0.1333 0.073 Uiso 1 1 calc GR . . . .
C40 C 0.9661(6) 0.4858(2) 0.0505(3) 0.0345(13) Uani 1 1 d . . . . .
C29 C 1.0496(5) 0.6622(2) 0.1281(2) 0.0207(10) Uani 1 1 d . . . . .
H29 H 1.0716 0.6339 0.1005 0.025 Uiso 1 1 calc R . . . .
C35 C 0.9965(5) 0.8471(2) 0.3341(2) 0.0275(11) Uani 1 1 d . . . . .
H35 H 1.0606 0.8732 0.3524 0.033 Uiso 1 1 calc R . . . .
C2 C 0.8699(5) 0.5036(2) 0.2429(2) 0.0285(12) Uani 1 1 d . . . . .
H2A H 0.9202 0.4849 0.2107 0.034 Uiso 1 1 calc R . . . .
H2B H 0.9386 0.5315 0.2598 0.034 Uiso 1 1 calc R . . . .
C18 C 0.5582(5) 0.68064(19) 0.0247(2) 0.0178(9) Uani 1 1 d . . . . .
H18 H 0.6335 0.6528 0.0112 0.021 Uiso 1 1 calc R . . . .
C48 C 0.7349(5) 0.6593(2) 0.3857(2) 0.0283(11) Uani 1 1 d . . . . .
H48A H 0.6998 0.6413 0.3507 0.043 Uiso 1 1 calc GR . . . .
H48B H 0.7654 0.6297 0.4125 0.043 Uiso 1 1 calc GR . . . .
H48C H 0.8185 0.6841 0.3770 0.043 Uiso 1 1 calc GR . . . .
C32 C 0.9906(4) 0.74260(19) 0.2123(2) 0.0179(9) Uani 1 1 d . . . . .
C31 C 1.1259(5) 0.7421(2) 0.1844(2) 0.0216(10) Uani 1 1 d . . . . .
H31 H 1.1987 0.7694 0.1940 0.026 Uiso 1 1 calc R . . . .
C22 C 0.3827(5) 0.8632(2) 0.0663(2) 0.0220(10) Uani 1 1 d . . . . .
H22 H 0.3366 0.8989 0.0596 0.026 Uiso 1 1 calc R . . . .
C19 C 0.5569(5) 0.73516(19) -0.0106(2) 0.0195(10) Uani 1 1 d . . . . .
H19A H 0.6568 0.7454 -0.0235 0.023 Uiso 1 1 calc R . . . .
H19B H 0.4918 0.7313 -0.0439 0.023 Uiso 1 1 calc R . . . .
C10 C 0.1577(5) 0.6456(2) 0.3246(2) 0.0270(11) Uani 1 1 d . . . . .
H10A H 0.0609 0.6582 0.3103 0.032 Uiso 1 1 calc R . . . .
H10B H 0.2039 0.6783 0.3443 0.032 Uiso 1 1 calc R . . . .
C46 C 0.5342(6) 0.7433(3) 0.4933(3) 0.0392(15) Uani 1 1 d . . . . .
H46A H 0.4471 0.7190 0.5004 0.047 Uiso 1 1 calc R . . . .
H46B H 0.5033 0.7768 0.4707 0.047 Uiso 1 1 calc R . . . .
C44 C 0.7262(6) 0.9618(2) 0.2757(2) 0.0336(13) Uani 1 1 d . . . . .
H44A H 0.7819 0.9363 0.3005 0.050 Uiso 1 1 calc GR . . . .
H44B H 0.6324 0.9714 0.2936 0.050 Uiso 1 1 calc GR . . . .
H44C H 0.7825 0.9969 0.2692 0.050 Uiso 1 1 calc GR . . . .
C12 C 0.2839(5) 0.5804(2) 0.3915(2) 0.0228(10) Uani 1 1 d . . . . .
H12A H 0.2721 0.5455 0.4147 0.027 Uiso 1 1 calc R . . . .
H12B H 0.3164 0.6115 0.4169 0.027 Uiso 1 1 calc R . . . .
C11 C 0.1374(5) 0.5961(2) 0.3660(2) 0.0278(11) Uani 1 1 d . . . . .
H11A H 0.0684 0.6074 0.3964 0.033 Uiso 1 1 calc R . . . .
H11B H 0.0957 0.5628 0.3459 0.033 Uiso 1 1 calc R . . . .
C3 C 0.8296(6) 0.4591(2) 0.2867(2) 0.0307(12) Uani 1 1 d . . . . .
H3A H 0.9187 0.4380 0.2985 0.037 Uiso 1 1 calc R . . . .
H3B H 0.7599 0.4314 0.2701 0.037 Uiso 1 1 calc R . . . .
C42 C 0.7783(6) 0.9203(3) 0.1255(3) 0.0422(15) Uani 1 1 d . . . . .
H42A H 0.8271 0.9437 0.0961 0.051 Uiso 1 1 calc R . . . .
H42B H 0.6726 0.9183 0.1162 0.051 Uiso 1 1 calc R . . . .
C45 C 0.6005(7) 0.7622(3) 0.5482(3) 0.0453(16) Uani 1 1 d . . . . .
H45A H 0.6843 0.7872 0.5406 0.068 Uiso 1 1 calc GR . . . .
H45B H 0.6334 0.7287 0.5696 0.068 Uiso 1 1 calc GR . . . .
H45C H 0.5270 0.7830 0.5704 0.068 Uiso 1 1 calc GR . . . .
O11 O 0.4154(4) 0.83885(16) 0.27707(18) 0.0245(8) Uani 1 1 d . . . . .
H11C H 0.404(5) 0.850(2) 0.306(3) 0.016(16) Uiso 1 1 d . . . . .
H11D H 0.482(5) 0.858(2) 0.256(2) 0.025(14) Uiso 1 1 d . . . . .
H1A H 0.491(4) 0.721(2) 0.313(2) 0.010(11) Uiso 1 1 d . . . . .
H1B H 0.462(7) 0.767(3) 0.280(3) 0.06(2) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 O1 2.134(3) . ?
Au1 C38 2.044(4) . ?
Au1 C15 2.094(4) . ?
Au1 C27 2.019(4) . ?
S2 O6 1.428(4) . ?
S2 O5 1.421(4) . ?
S2 N4 1.578(4) . ?
S2 C40 1.841(5) . ?
S1 O3 1.419(4) . ?
S1 O4 1.431(4) . ?
S1 N4 1.583(4) . ?
S1 C39 1.834(6) . ?
O1 H1A 0.87(5) . ?
O1 H1B 0.87(7) . ?
F1 C39 1.328(6) . ?
F4 C40 1.342(6) . ?
F3 C39 1.340(6) . ?
F2 C39 1.319(6) . ?
O10 C47 1.220(6) . ?
F6 C40 1.317(7) . ?
N3 C15 1.353(6) . ?
N3 C16 1.378(5) . ?
N3 C26 1.466(5) . ?
N1 N2 1.387(5) . ?
N1 C15 1.340(5) . ?
N1 C7 1.443(6) . ?
C38 C37 1.382(6) . ?
C38 C33 1.412(6) . ?
O9 C47 1.321(6) . ?
O9 C46 1.458(6) . ?
F5 C40 1.312(7) . ?
N2 C16 1.295(6) . ?
O2 C17 1.426(5) . ?
O2 C18 1.438(5) . ?
O7 C43 1.345(6) . ?
O7 C42 1.460(7) . ?
C24 H24 0.9500 . ?
C24 C23 1.393(6) . ?
C24 C25 1.375(6) . ?
C37 H37 0.9500 . ?
C37 C36 1.398(6) . ?
O8 C43 1.206(6) . ?
C33 C34 1.398(6) . ?
C33 C32 1.455(6) . ?
C28 H28 0.9500 . ?
C28 C27 1.386(6) . ?
C28 C29 1.395(6) . ?
C16 C17 1.500(6) . ?
C26 H26 1.0000 . ?
C26 C25 1.517(6) . ?
C26 C18 1.540(6) . ?
C7 C6 1.405(6) . ?
C7 C8 1.392(6) . ?
C6 C1 1.518(6) . ?
C6 C5 1.385(7) . ?
C47 C48 1.487(7) . ?
C23 H23 0.9500 . ?
C23 C22 1.386(7) . ?
C1 H1C 0.9900 . ?
C1 H1D 0.9900 . ?
C1 C2 1.528(6) . ?
C14 H14 0.9500 . ?
C14 C5 1.400(6) . ?
C14 C13 1.382(6) . ?
C27 C32 1.403(6) . ?
C5 C4 1.514(6) . ?
C30 H30 0.9500 . ?
C30 C29 1.380(6) . ?
C30 C31 1.377(7) . ?
C36 H36 0.9500 . ?
C36 C35 1.386(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C8 1.518(6) . ?
C9 C10 1.523(6) . ?
C20 C21 1.393(6) . ?
C20 C25 1.390(6) . ?
C20 C19 1.503(6) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C21 H21 0.9500 . ?
C21 C22 1.393(7) . ?
C43 C44 1.484(7) . ?
C13 C8 1.403(7) . ?
C13 C12 1.512(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C3 1.516(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.380(7) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C41 C42 1.481(8) . ?
C29 H29 0.9500 . ?
C35 H35 0.9500 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.514(7) . ?
C18 H18 1.0000 . ?
C18 C19 1.525(6) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C32 C31 1.399(6) . ?
C31 H31 0.9500 . ?
C22 H22 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.528(7) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C45 1.498(8) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C11 1.511(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
O11 H11C 0.74(6) . ?
O11 H11D 0.91(6) . ?

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
C38 Au1 O1 94.44(15) . . ?
C38 Au1 C15 177.26(17) . . ?
C15 Au1 O1 87.58(14) . . ?
C27 Au1 O1 175.74(16) . . ?
C27 Au1 C38 81.53(18) . . ?
C27 Au1 C15 96.40(17) . . ?
O6 S2 N4 108.1(2) . . ?
O6 S2 C40 103.5(2) . . ?
O5 S2 O6 118.0(2) . . ?
O5 S2 N4 116.9(2) . . ?
O5 S2 C40 104.8(3) . . ?
N4 S2 C40 103.3(2) . . ?
O3 S1 O4 118.6(3) . . ?
O3 S1 N4 116.8(2) . . ?
O3 S1 C39 104.6(3) . . ?
O4 S1 N4 108.1(2) . . ?
O4 S1 C39 102.7(3) . . ?
N4 S1 C39 103.8(2) . . ?
Au1 O1 H1A 112(3) . . ?
Au1 O1 H1B 116(4) . . ?
H1A O1 H1B 103(6) . . ?
C15 N3 C16 108.6(4) . . ?
C15 N3 C26 128.7(4) . . ?
C16 N3 C26 122.7(4) . . ?
N2 N1 C7 119.8(3) . . ?
C15 N1 N2 113.8(4) . . ?
C15 N1 C7 126.1(4) . . ?
C37 C38 Au1 126.8(3) . . ?
C37 C38 C33 119.8(4) . . ?
C33 C38 Au1 113.5(3) . . ?
C47 O9 C46 117.5(4) . . ?
C16 N2 N1 102.9(3) . . ?
C17 O2 C18 110.9(3) . . ?
N3 C15 Au1 129.5(3) . . ?
N1 C15 Au1 127.2(3) . . ?
N1 C15 N3 103.2(4) . . ?
C43 O7 C42 116.1(4) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C25 C24 C23 119.4(4) . . ?
C38 C37 H37 119.9 . . ?
C38 C37 C36 120.3(4) . . ?
C36 C37 H37 119.9 . . ?
C38 C33 C32 114.7(4) . . ?
C34 C33 C38 119.5(4) . . ?
C34 C33 C32 125.7(4) . . ?
C27 C28 H28 120.3 . . ?
C27 C28 C29 119.5(4) . . ?
C29 C28 H28 120.3 . . ?
N3 C16 C17 120.6(4) . . ?
N2 C16 N3 111.5(4) . . ?
N2 C16 C17 127.9(4) . . ?
S2 N4 S1 123.7(3) . . ?
N3 C26 H26 109.1 . . ?
N3 C26 C25 116.4(3) . . ?
N3 C26 C18 110.6(3) . . ?
C25 C26 H26 109.1 . . ?
C25 C26 C18 102.2(3) . . ?
C18 C26 H26 109.1 . . ?
C6 C7 N1 117.2(4) . . ?
C8 C7 N1 119.0(4) . . ?
C8 C7 C6 123.7(4) . . ?
C7 C6 C1 119.9(4) . . ?
C5 C6 C7 118.0(4) . . ?
C5 C6 C1 122.0(4) . . ?
O10 C47 O9 121.9(5) . . ?
O10 C47 C48 125.7(5) . . ?
O9 C47 C48 112.4(4) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 C24 119.7(4) . . ?
C22 C23 H23 120.2 . . ?
C6 C1 H1C 108.8 . . ?
C6 C1 H1D 108.8 . . ?
C6 C1 C2 113.6(4) . . ?
H1C C1 H1D 107.7 . . ?
C2 C1 H1C 108.8 . . ?
C2 C1 H1D 108.8 . . ?
C5 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
C13 C14 C5 122.7(4) . . ?
C28 C27 Au1 125.1(3) . . ?
C28 C27 C32 120.8(4) . . ?
C32 C27 Au1 114.1(3) . . ?
C6 C5 C14 118.8(4) . . ?
C6 C5 C4 121.2(4) . . ?
C14 C5 C4 119.9(4) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
C31 C30 C29 120.8(4) . . ?
C37 C36 H36 120.2 . . ?
C35 C36 C37 119.7(5) . . ?
C35 C36 H36 120.2 . . ?
H9A C9 H9B 107.7 . . ?
C8 C9 H9A 108.9 . . ?
C8 C9 H9B 108.9 . . ?
C8 C9 C10 113.2(4) . . ?
C10 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
C21 C20 C19 129.6(4) . . ?
C25 C20 C21 119.4(4) . . ?
C25 C20 C19 111.0(4) . . ?
O2 C17 C16 109.5(3) . . ?
O2 C17 H17A 109.8 . . ?
O2 C17 H17B 109.8 . . ?
C16 C17 H17A 109.8 . . ?
C16 C17 H17B 109.8 . . ?
H17A C17 H17B 108.2 . . ?
C20 C21 H21 120.5 . . ?
C22 C21 C20 119.0(4) . . ?
C22 C21 H21 120.5 . . ?
O7 C43 C44 112.8(4) . . ?
O8 C43 O7 122.3(5) . . ?
O8 C43 C44 124.9(5) . . ?
C24 C25 C26 129.9(4) . . ?
C24 C25 C20 121.5(4) . . ?
C20 C25 C26 108.6(4) . . ?
F1 C39 S1 111.2(4) . . ?
F1 C39 F3 107.5(4) . . ?
F3 C39 S1 109.2(4) . . ?
F2 C39 S1 111.9(4) . . ?
F2 C39 F1 108.5(5) . . ?
F2 C39 F3 108.3(4) . . ?
C14 C13 C8 119.5(4) . . ?
C14 C13 C12 119.9(4) . . ?
C8 C13 C12 120.6(4) . . ?
C5 C4 H4A 109.3 . . ?
C5 C4 H4B 109.3 . . ?
C5 C4 C3 111.6(4) . . ?
H4A C4 H4B 108.0 . . ?
C3 C4 H4A 109.3 . . ?
C3 C4 H4B 109.3 . . ?
C7 C8 C9 121.1(4) . . ?
C7 C8 C13 117.2(4) . . ?
C13 C8 C9 121.6(4) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 C33 119.9(4) . . ?
C35 C34 H34 120.1 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
F4 C40 S2 108.3(4) . . ?
F6 C40 S2 111.5(4) . . ?
F6 C40 F4 107.9(5) . . ?
F5 C40 S2 111.5(4) . . ?
F5 C40 F4 108.2(5) . . ?
F5 C40 F6 109.3(5) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 119.9(4) . . ?
C30 C29 H29 120.0 . . ?
C36 C35 H35 119.5 . . ?
C34 C35 C36 120.9(4) . . ?
C34 C35 H35 119.5 . . ?
C1 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C3 C2 C1 111.1(4) . . ?
C3 C2 H2A 109.4 . . ?
C3 C2 H2B 109.4 . . ?
O2 C18 C26 109.0(3) . . ?
O2 C18 H18 112.1 . . ?
O2 C18 C19 107.1(4) . . ?
C26 C18 H18 112.1 . . ?
C19 C18 C26 104.0(4) . . ?
C19 C18 H18 112.1 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C27 C32 C33 115.6(4) . . ?
C31 C32 C33 125.9(4) . . ?
C31 C32 C27 118.5(4) . . ?
C30 C31 C32 120.3(4) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C23 C22 C21 121.0(4) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C20 C19 C18 102.2(4) . . ?
C20 C19 H19A 111.3 . . ?
C20 C19 H19B 111.3 . . ?
C18 C19 H19A 111.3 . . ?
C18 C19 H19B 111.3 . . ?
H19A C19 H19B 109.2 . . ?
C9 C10 H10A 109.6 . . ?
C9 C10 H10B 109.6 . . ?
C9 C10 C11 110.2(4) . . ?
H10A C10 H10B 108.1 . . ?
C11 C10 H10A 109.6 . . ?
C11 C10 H10B 109.6 . . ?
O9 C46 H46A 110.3 . . ?
O9 C46 H46B 110.3 . . ?
O9 C46 C45 107.2(4) . . ?
H46A C46 H46B 108.5 . . ?
C45 C46 H46A 110.3 . . ?
C45 C46 H46B 110.3 . . ?
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 . . ?
C13 C12 H12A 109.0 . . ?
C13 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
C11 C12 C13 112.8(4) . . ?
C11 C12 H12A 109.0 . . ?
C11 C12 H12B 109.0 . . ?
C10 C11 H11A 109.8 . . ?
C10 C11 H11B 109.8 . . ?
C12 C11 C10 109.5(4) . . ?
C12 C11 H11A 109.8 . . ?
C12 C11 H11B 109.8 . . ?
H11A C11 H11B 108.2 . . ?
C4 C3 H3A 109.6 . . ?
C4 C3 H3B 109.6 . . ?
C2 C3 C4 110.2(4) . . ?
C2 C3 H3A 109.6 . . ?
C2 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
O7 C42 C41 111.1(5) . . ?
O7 C42 H42A 109.4 . . ?
O7 C42 H42B 109.4 . . ?
C41 C42 H42A 109.4 . . ?
C41 C42 H42B 109.4 . . ?
H42A C42 H42B 108.0 . . ?
C46 C45 H45A 109.5 . . ?
C46 C45 H45B 109.5 . . ?
C46 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
H11C O11 H11D 115(5) . . ?

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 C38 C37 C36 179.7(3) . . . . ?
Au1 C38 C33 C34 179.1(3) . . . . ?
Au1 C38 C33 C32 -4.0(5) . . . . ?
Au1 C27 C32 C33 6.8(5) . . . . ?
Au1 C27 C32 C31 -174.8(3) . . . . ?
N3 C16 C17 O2 -21.7(5) . . . . ?
N3 C26 C25 C24 37.7(6) . . . . ?
N3 C26 C25 C20 -142.5(4) . . . . ?
N3 C26 C18 O2 44.0(4) . . . . ?
N3 C26 C18 C19 157.9(3) . . . . ?
N1 N2 C16 N3 -0.3(4) . . . . ?
N1 N2 C16 C17 179.1(4) . . . . ?
N1 C7 C6 C1 -5.0(6) . . . . ?
N1 C7 C6 C5 179.0(4) . . . . ?
N1 C7 C8 C9 5.0(6) . . . . ?
N1 C7 C8 C13 -179.1(4) . . . . ?
O6 S2 N4 S1 155.2(3) . . . . ?
O6 S2 C40 F4 -65.5(4) . . . . ?
O6 S2 C40 F6 53.1(5) . . . . ?
O6 S2 C40 F5 175.6(4) . . . . ?
O5 S2 N4 S1 19.0(4) . . . . ?
O5 S2 C40 F4 58.8(5) . . . . ?
O5 S2 C40 F6 177.4(4) . . . . ?
O5 S2 C40 F5 -60.1(5) . . . . ?
C38 C37 C36 C35 1.7(7) . . . . ?
C38 C33 C34 C35 0.8(7) . . . . ?
C38 C33 C32 C27 -1.8(5) . . . . ?
C38 C33 C32 C31 179.9(4) . . . . ?
N2 N1 C15 Au1 177.4(3) . . . . ?
N2 N1 C15 N3 0.4(4) . . . . ?
N2 N1 C7 C6 91.2(4) . . . . ?
N2 N1 C7 C8 -85.9(5) . . . . ?
N2 C16 C17 O2 158.9(4) . . . . ?
O2 C18 C19 C20 83.0(4) . . . . ?
C15 N3 C16 N2 0.6(5) . . . . ?
C15 N3 C16 C17 -178.8(4) . . . . ?
C15 N3 C26 C25 -76.7(5) . . . . ?
C15 N3 C26 C18 167.4(4) . . . . ?
C15 N1 N2 C16 -0.1(5) . . . . ?
C15 N1 C7 C6 -82.1(5) . . . . ?
C15 N1 C7 C8 100.8(5) . . . . ?
C24 C23 C22 C21 0.0(7) . . . . ?
C37 C38 C33 C34 -0.3(6) . . . . ?
C37 C38 C33 C32 176.6(4) . . . . ?
C37 C36 C35 C34 -1.1(8) . . . . ?
C33 C38 C37 C36 -1.0(6) . . . . ?
C33 C34 C35 C36 -0.1(8) . . . . ?
C33 C32 C31 C30 174.5(4) . . . . ?
O3 S1 N4 S2 25.7(4) . . . . ?
O3 S1 C39 F1 -57.9(4) . . . . ?
O3 S1 C39 F3 60.6(4) . . . . ?
O3 S1 C39 F2 -179.5(4) . . . . ?
C28 C27 C32 C33 -174.1(4) . . . . ?
C28 C27 C32 C31 4.3(6) . . . . ?
O4 S1 N4 S2 162.6(3) . . . . ?
O4 S1 C39 F1 177.6(4) . . . . ?
O4 S1 C39 F3 -63.9(4) . . . . ?
O4 S1 C39 F2 56.1(4) . . . . ?
C16 N3 C15 Au1 -177.5(3) . . . . ?
C16 N3 C15 N1 -0.6(4) . . . . ?
C16 N3 C26 C25 105.3(4) . . . . ?
C16 N3 C26 C18 -10.7(5) . . . . ?
N4 S2 C40 F4 -178.2(4) . . . . ?
N4 S2 C40 F6 -59.6(4) . . . . ?
N4 S2 C40 F5 62.9(5) . . . . ?
N4 S1 C39 F1 65.0(4) . . . . ?
N4 S1 C39 F3 -176.4(3) . . . . ?
N4 S1 C39 F2 -56.5(4) . . . . ?
C26 N3 C15 Au1 4.3(6) . . . . ?
C26 N3 C15 N1 -178.9(4) . . . . ?
C26 N3 C16 N2 179.0(4) . . . . ?
C26 N3 C16 C17 -0.4(6) . . . . ?
C26 C18 C19 C20 -32.3(4) . . . . ?
C7 N1 N2 C16 -174.2(4) . . . . ?
C7 N1 C15 Au1 -8.9(6) . . . . ?
C7 N1 C15 N3 174.1(4) . . . . ?
C7 C6 C1 C2 170.9(4) . . . . ?
C7 C6 C5 C14 1.1(6) . . . . ?
C7 C6 C5 C4 -178.7(4) . . . . ?
C6 C7 C8 C9 -171.9(4) . . . . ?
C6 C7 C8 C13 3.9(6) . . . . ?
C6 C1 C2 C3 41.2(6) . . . . ?
C6 C5 C4 C3 -25.5(6) . . . . ?
C47 O9 C46 C45 -174.7(5) . . . . ?
C23 C24 C25 C26 -179.9(4) . . . . ?
C23 C24 C25 C20 0.3(6) . . . . ?
C1 C6 C5 C14 -174.8(4) . . . . ?
C1 C6 C5 C4 5.5(6) . . . . ?
C1 C2 C3 C4 -62.4(6) . . . . ?
C14 C5 C4 C3 154.8(4) . . . . ?
C14 C13 C8 C7 -0.9(6) . . . . ?
C14 C13 C8 C9 174.8(4) . . . . ?
C14 C13 C12 C11 -157.3(4) . . . . ?
C27 C28 C29 C30 -1.8(7) . . . . ?
C27 C32 C31 C30 -3.8(7) . . . . ?
C5 C6 C1 C2 -13.3(6) . . . . ?
C5 C14 C13 C8 -1.9(7) . . . . ?
C5 C14 C13 C12 179.6(4) . . . . ?
C5 C4 C3 C2 53.3(5) . . . . ?
C9 C10 C11 C12 64.0(5) . . . . ?
C20 C21 C22 C23 1.5(7) . . . . ?
C17 O2 C18 C26 -70.7(4) . . . . ?
C17 O2 C18 C19 177.4(4) . . . . ?
C21 C20 C25 C24 1.1(6) . . . . ?
C21 C20 C25 C26 -178.7(4) . . . . ?
C21 C20 C19 C18 -160.0(4) . . . . ?
C43 O7 C42 C41 -81.1(6) . . . . ?
C25 C24 C23 C22 -0.9(6) . . . . ?
C25 C26 C18 O2 -80.5(4) . . . . ?
C25 C26 C18 C19 33.4(4) . . . . ?
C25 C20 C21 C22 -2.0(6) . . . . ?
C25 C20 C19 C18 19.6(5) . . . . ?
C39 S1 N4 S2 -88.9(4) . . . . ?
C13 C14 C5 C6 1.8(7) . . . . ?
C13 C14 C5 C4 -178.5(4) . . . . ?
C13 C12 C11 C10 -52.1(6) . . . . ?
C8 C7 C6 C1 171.9(4) . . . . ?
C8 C7 C6 C5 -4.0(6) . . . . ?
C8 C9 C10 C11 -45.8(5) . . . . ?
C8 C13 C12 C11 24.1(6) . . . . ?
C34 C33 C32 C27 174.9(4) . . . . ?
C34 C33 C32 C31 -3.5(7) . . . . ?
C40 S2 N4 S1 -95.5(4) . . . . ?
C29 C28 C27 Au1 177.4(3) . . . . ?
C29 C28 C27 C32 -1.6(7) . . . . ?
C29 C30 C31 C32 0.6(7) . . . . ?
C18 O2 C17 C16 57.5(4) . . . . ?
C18 C26 C25 C24 158.3(4) . . . . ?
C18 C26 C25 C20 -22.0(4) . . . . ?
C32 C33 C34 C35 -175.7(4) . . . . ?
C31 C30 C29 C28 2.3(7) . . . . ?
C19 C20 C21 C22 177.6(4) . . . . ?
C19 C20 C25 C24 -178.5(4) . . . . ?
C19 C20 C25 C26 1.7(5) . . . . ?
C10 C9 C8 C7 -166.6(4) . . . . ?
C10 C9 C8 C13 17.8(6) . . . . ?
C46 O9 C47 O10 3.8(7) . . . . ?
C46 O9 C47 C48 -177.5(5) . . . . ?
C12 C13 C8 C7 177.6(4) . . . . ?
C12 C13 C8 C9 -6.6(7) . . . . ?
C42 O7 C43 O8 -1.7(7) . . . . ?
C42 O7 C43 C44 179.3(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
