# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ha1142-2
_database_code_depnum_ccdc_archive 'CCDC 2094338'
loop_
_audit_author_name
_audit_author_address
'Alexandre Sobolev'
;The University of Western Australia
Australia
;
_audit_update_record             
;
2021-07-05 deposited with the CCDC.	2021-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C17 H17 Au K N O3 S2'
_chemical_formula_sum            'C17 H17 Au K N O3 S2'
_chemical_formula_weight         583.50

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'
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'
K K 0.2009 0.2494 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   11.8351(2)
_cell_length_b                   22.7349(3)
_cell_length_c                   7.3391(1)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1974.73(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    14527
_cell_measurement_theta_min      3.16
_cell_measurement_theta_max      32.15
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0014837
_diffrn_orient_matrix_UB_12      0.0311368
_diffrn_orient_matrix_UB_13      0.0058171
_diffrn_orient_matrix_UB_21      0.0599166
_diffrn_orient_matrix_UB_22      -0.0007434
_diffrn_orient_matrix_UB_23      -0.0015891
_diffrn_orient_matrix_UB_31      -0.0008788
_diffrn_orient_matrix_UB_32      0.0019118
_diffrn_orient_matrix_UB_33      -0.0964264

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.963
_exptl_crystal_F_000             1120
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.054
_exptl_crystal_size_min          0.033
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -1 0 0.0169
0 1 0 0.0165
0 -5 -2 0.0658
0 0 1 0.0887
1 0 0 0.0265
-1 0 0 0.0276
5 0 -2 0.0570
-5 0 -2 0.0376
1 -5 0 0.0149
1 5 0 0.0247
-1 1 0 0.0275
-1 -5 0 0.0230
_exptl_absorpt_coefficient_mu    7.887
_shelx_estimated_absorpt_T_min   0.337
_shelx_estimated_absorpt_T_max   0.781
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.447
_exptl_absorpt_correction_T_max  0.797
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Gemini-R Ultra'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Ruby
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4738
_diffrn_reflns_number            39291
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.484
_diffrn_reflns_theta_max         32.668
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6863
_reflns_number_gt                5756
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.825
_reflns_Friedel_fraction_max     0.922
_reflns_Friedel_fraction_full    1.000

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT-2015/1 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2017/1 (Sheldrick, 2017)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0235P)²+1.2000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2306 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.022(4)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         6863
_refine_ls_number_parameters     228
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0289
_refine_ls_wR_factor_ref         0.0576
_refine_ls_wR_factor_gt          0.0532
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.53625(2) 0.74088(2) 0.03242(5) 0.01808(5) Uani 1 1 d . . . . .
S1 S 0.52267(12) 0.84065(6) 0.0656(2) 0.0268(4) Uani 1 1 d . . . . .
O10 O 0.3224(4) 0.81793(17) -0.0749(6) 0.0251(9) Uani 1 1 d . . . . .
C10 C 0.3940(5) 0.8558(2) -0.0433(7) 0.0195(11) Uani 1 1 d . . . . .
C11 C 0.3730(5) 0.9186(2) -0.0960(7) 0.0177(10) Uani 1 1 d . . . . .
C12 C 0.2673(5) 0.9335(2) -0.1659(8) 0.0214(11) Uani 1 1 d . . . . .
H12 H 0.210526 0.904181 -0.177760 0.026 Uiso 1 1 calc R U . . .
C13 C 0.2447(9) 0.9911(2) -0.2185(12) 0.0242(10) Uani 1 1 d . . . . .
H13 H 0.172903 1.001148 -0.267315 0.029 Uiso 1 1 calc R U . . .
C14 C 0.3269(5) 1.0334(3) -0.1994(8) 0.0269(13) Uani 1 1 d . . . . .
H14 H 0.310746 1.072927 -0.232666 0.032 Uiso 1 1 calc R U . . .
C15 C 0.4319(5) 1.0194(3) -0.1329(8) 0.0243(12) Uani 1 1 d . . . . .
H15 H 0.488107 1.049014 -0.121667 0.029 Uiso 1 1 calc R U . . .
C16 C 0.4560(5) 0.9621(2) -0.0821(8) 0.0207(11) Uani 1 1 d . . . . .
H16 H 0.529060 0.952337 -0.037686 0.025 Uiso 1 1 calc R U . . .
S2 S 0.55340(12) 0.64175(6) -0.0069(2) 0.0258(4) Uani 1 1 d . . . . .
O20 O 0.3331(4) 0.65474(16) -0.0481(5) 0.0233(8) Uani 1 1 d . . . . .
C20 C 0.4137(5) 0.6198(2) -0.0413(7) 0.0181(10) Uani 1 1 d . . . . .
C21 C 0.3941(5) 0.5555(2) -0.0630(7) 0.0170(10) Uani 1 1 d . . . . .
C22 C 0.2920(5) 0.5372(3) -0.1396(8) 0.0230(12) Uani 1 1 d . . . . .
H22 H 0.238051 0.565798 -0.176350 0.028 Uiso 1 1 calc R U . . .
C23 C 0.2681(5) 0.4781(3) -0.1630(8) 0.0245(12) Uani 1 1 d . . . . .
H23 H 0.198731 0.466079 -0.216587 0.029 Uiso 1 1 calc R U . . .
C24 C 0.3464(6) 0.4367(3) -0.1072(8) 0.0252(13) Uani 1 1 d . . . . .
H24 H 0.330176 0.396042 -0.122004 0.030 Uiso 1 1 calc R U . . .
C25 C 0.4479(5) 0.4536(3) -0.0303(8) 0.0250(13) Uani 1 1 d . . . . .
H25 H 0.501012 0.424642 0.006886 0.030 Uiso 1 1 calc R U . . .
C26 C 0.4720(5) 0.5129(2) -0.0076(7) 0.0214(12) Uani 1 1 d . . . . .
H26 H 0.541645 0.524609 0.045729 0.026 Uiso 1 1 calc R U . . .
O1 O 0.4083(4) 0.7448(2) 0.5065(9) 0.0365(13) Uani 1 1 d . . . . .
C1 C 0.4766(5) 0.7865(3) 0.5393(15) 0.0341(12) Uani 1 1 d . . . . .
H1 H 0.447442 0.825106 0.555074 0.041 Uiso 1 1 calc R U . . .
N1 N 0.5864(4) 0.7782(2) 0.5522(10) 0.0275(12) Uani 1 1 d . . . . .
C2 C 0.6618(7) 0.8265(4) 0.6003(10) 0.048(2) Uani 1 1 d . . . . .
H2A H 0.704517 0.816067 0.710052 0.072 Uiso 1 1 calc R U . . .
H2B H 0.617248 0.862028 0.623609 0.072 Uiso 1 1 calc R U . . .
H2C H 0.714327 0.833771 0.499600 0.072 Uiso 1 1 calc R U . . .
C3 C 0.6367(5) 0.7218(3) 0.5260(17) 0.0442(15) Uani 1 1 d . . . . .
H3A H 0.709225 0.720172 0.590392 0.066 Uiso 1 1 calc R U . . .
H3B H 0.649222 0.715093 0.395615 0.066 Uiso 1 1 calc R U . . .
H3C H 0.586353 0.691265 0.574000 0.066 Uiso 1 1 calc R U . . .
K1 K 0.27202(10) 0.73088(5) 0.22125(16) 0.0187(2) Uani 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 S2 2.2812(14) . ?
Au1 S1 2.2870(13) . ?
Au1 K1 3.4280(12) . ?
S1 C10 1.754(6) . ?
O10 C10 1.229(7) . ?
O10 K1 2.721(4) 4_554 ?
O10 K1 3.000(4) . ?
C10 C11 1.500(7) . ?
C11 C12 1.394(8) . ?
C11 C16 1.398(8) . ?
C12 C13 1.392(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.375(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.373(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(8) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
S2 C20 1.746(6) . ?
O20 C20 1.242(6) . ?
O20 K1 2.722(4) 4_554 ?
O20 K1 2.725(4) . ?
C20 C21 1.489(7) . ?
C21 C22 1.396(8) . ?
C21 C26 1.397(7) . ?
C22 C23 1.384(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.381(9) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(8) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
O1 C1 1.269(7) . ?
O1 K1 2.661(6) . ?
O1 K1 2.672(5) 4 ?
C1 N1 1.316(7) . ?
C1 K1 3.470(7) 4 ?
C1 H1 0.9500 . ?
N1 C3 1.429(8) . ?
N1 C2 1.457(8) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
K1 K1 3.7064(3) 4 ?
K1 K1 3.7064(3) 4_554 ?

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
S2 Au1 S1 178.41(6) . . ?
S2 Au1 K1 93.83(4) . . ?
S1 Au1 K1 87.63(4) . . ?
C10 S1 Au1 101.93(18) . . ?
C10 O10 K1 153.6(4) . 4_554 ?
C10 O10 K1 117.5(4) . . ?
K1 O10 K1 80.61(10) 4_554 . ?
O10 C10 C11 120.2(5) . . ?
O10 C10 S1 123.2(4) . . ?
C11 C10 S1 116.6(4) . . ?
C12 C11 C16 119.1(5) . . ?
C12 C11 C10 118.4(5) . . ?
C16 C11 C10 122.6(5) . . ?
C13 C12 C11 120.2(6) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 C12 119.6(8) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C15 C14 C13 120.9(6) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 C16 120.1(6) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C11 120.1(6) . . ?
C15 C16 H16 120.0 . . ?
C11 C16 H16 120.0 . . ?
C20 S2 Au1 102.53(18) . . ?
C20 O20 K1 141.5(4) . 4_554 ?
C20 O20 K1 125.5(3) . . ?
K1 O20 K1 85.75(11) 4_554 . ?
O20 C20 C21 120.3(5) . . ?
O20 C20 S2 123.3(4) . . ?
C21 C20 S2 116.4(4) . . ?
C22 C21 C26 118.9(5) . . ?
C22 C21 C20 118.0(5) . . ?
C26 C21 C20 123.1(5) . . ?
C23 C22 C21 121.0(6) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C24 C23 C22 119.1(6) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
C25 C24 C23 121.0(5) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C24 C25 C26 119.8(6) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C25 C26 C21 120.1(5) . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
C1 O1 K1 128.6(6) . . ?
C1 O1 K1 119.0(5) . 4 ?
K1 O1 K1 88.05(13) . 4 ?
O1 C1 N1 122.4(6) . . ?
O1 C1 K1 42.3(4) . 4 ?
N1 C1 K1 139.2(5) . 4 ?
O1 C1 H1 118.8 . . ?
N1 C1 H1 118.8 . . ?
K1 C1 H1 89.0 4 . ?
C1 N1 C3 122.0(5) . . ?
C1 N1 C2 121.0(6) . . ?
C3 N1 C2 117.0(5) . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O1 K1 O1 159.1(2) . 4_554 ?
O1 K1 O10 74.33(15) . 4 ?
O1 K1 O10 84.84(15) 4_554 4 ?
O1 K1 O20 82.16(14) . 4 ?
O1 K1 O20 94.42(15) 4_554 4 ?
O10 K1 O20 86.15(13) 4 4 ?
O1 K1 O20 119.03(14) . . ?
O1 K1 O20 81.91(14) 4_554 . ?
O10 K1 O20 165.88(13) 4 . ?
O20 K1 O20 99.70(14) 4 . ?
O1 K1 O10 111.78(14) . . ?
O1 K1 O10 69.70(14) 4_554 . ?
O10 K1 O10 90.01(12) 4 . ?
O20 K1 O10 163.96(13) 4 . ?
O20 K1 O10 80.83(12) . . ?
O1 K1 Au1 75.96(12) . . ?
O1 K1 Au1 118.83(13) 4_554 . ?
O10 K1 Au1 123.28(10) 4 . ?
O20 K1 Au1 135.29(10) 4 . ?
O20 K1 Au1 60.45(9) . . ?
O10 K1 Au1 58.79(8) . . ?
O1 K1 C1 140.6(2) . 4_554 ?
O1 K1 C1 18.65(17) 4_554 4_554 ?
O10 K1 C1 66.31(18) 4 4_554 ?
O20 K1 C1 94.78(16) 4 4_554 ?
O20 K1 C1 100.22(18) . 4_554 ?
O10 K1 C1 69.47(16) . 4_554 ?
Au1 K1 C1 126.42(15) . 4_554 ?
O1 K1 K1 46.09(12) . 4 ?
O1 K1 K1 118.15(14) 4_554 4 ?
O10 K1 K1 52.98(9) 4 4 ?
O20 K1 K1 47.16(8) 4 4 ?
O20 K1 K1 139.07(9) . 4 ?
O10 K1 K1 138.20(8) . 4 ?
Au1 K1 K1 121.91(5) . 4 ?
C1 K1 K1 105.18(17) 4_554 4 ?
O1 K1 K1 149.77(13) . 4_554 ?
O1 K1 K1 45.86(13) 4_554 4_554 ?
O10 K1 K1 119.12(10) 4 4_554 ?
O20 K1 K1 123.46(9) 4 4_554 ?
O20 K1 K1 47.09(9) . 4_554 ?
O10 K1 K1 46.41(8) . 4_554 ?
Au1 K1 K1 74.22(3) . 4_554 ?
C1 K1 K1 59.98(17) 4_554 4_554 ?
K1 K1 K1 163.83(7) 4 4_554 ?

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
K1 O10 C10 C11 94.8(9) 4_554 . . . ?
K1 O10 C10 C11 -135.8(4) . . . . ?
K1 O10 C10 S1 -86.1(9) 4_554 . . . ?
K1 O10 C10 S1 43.3(6) . . . . ?
Au1 S1 C10 O10 18.0(5) . . . . ?
Au1 S1 C10 C11 -162.8(4) . . . . ?
O10 C10 C11 C12 5.6(8) . . . . ?
S1 C10 C11 C12 -173.6(4) . . . . ?
O10 C10 C11 C16 -172.7(5) . . . . ?
S1 C10 C11 C16 8.1(7) . . . . ?
C16 C11 C12 C13 -0.9(9) . . . . ?
C10 C11 C12 C13 -179.3(6) . . . . ?
C11 C12 C13 C14 -0.6(11) . . . . ?
C12 C13 C14 C15 1.5(11) . . . . ?
C13 C14 C15 C16 -0.7(10) . . . . ?
C14 C15 C16 C11 -0.9(9) . . . . ?
C12 C11 C16 C15 1.7(8) . . . . ?
C10 C11 C16 C15 180.0(5) . . . . ?
K1 O20 C20 C21 -99.8(6) 4_554 . . . ?
K1 O20 C20 C21 121.4(4) . . . . ?
K1 O20 C20 S2 80.2(6) 4_554 . . . ?
K1 O20 C20 S2 -58.6(6) . . . . ?
Au1 S2 C20 O20 2.9(5) . . . . ?
Au1 S2 C20 C21 -177.1(3) . . . . ?
O20 C20 C21 C22 17.4(8) . . . . ?
S2 C20 C21 C22 -162.6(4) . . . . ?
O20 C20 C21 C26 -161.5(5) . . . . ?
S2 C20 C21 C26 18.5(7) . . . . ?
C26 C21 C22 C23 -0.8(8) . . . . ?
C20 C21 C22 C23 -179.7(5) . . . . ?
C21 C22 C23 C24 0.8(9) . . . . ?
C22 C23 C24 C25 -0.5(9) . . . . ?
C23 C24 C25 C26 0.3(9) . . . . ?
C24 C25 C26 C21 -0.3(8) . . . . ?
C22 C21 C26 C25 0.5(8) . . . . ?
C20 C21 C26 C25 179.4(5) . . . . ?
K1 O1 C1 N1 -117.4(8) . . . . ?
K1 O1 C1 N1 129.4(8) 4 . . . ?
K1 O1 C1 K1 113.2(5) . . . 4 ?
O1 C1 N1 C3 1.5(14) . . . . ?
K1 C1 N1 C3 54.2(13) 4 . . . ?
O1 C1 N1 C2 -176.5(8) . . . . ?
K1 C1 N1 C2 -123.7(7) 4 . . . ?

_refine_diff_density_max         1.359
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.141

