# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_bi10
_audit_block_doi                 10.5517/ccdc.csd.cc29yvmr
_database_code_depnum_ccdc_archive 'CCDC 2143855'
loop_
_audit_author_name
_audit_author_address
'Kumar Siddhant'
;PhD Research Scholar
Japan
;
_audit_update_record             
;
2022-01-22 deposited with the CCDC.	2022-03-15 downloaded from the CCDC.
;
_audit_creation_date             2022-01-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C18 H28 Au Cl N2)'
_chemical_formula_sum            'C36 H56 Au2 Cl2 N4'
_chemical_formula_weight         1009.68
_chemical_absolute_configuration ?
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   8.7010(5)
_cell_length_b                   9.2023(6)
_cell_length_c                   13.0929(8)
_cell_angle_alpha                96.876(5)
_cell_angle_beta                 105.129(5)
_cell_angle_gamma                100.254(5)
_cell_volume                     980.48(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9760
_cell_measurement_temperature    296.(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2.84
_shelx_estimated_absorpt_T_max   0.180
_shelx_estimated_absorpt_T_min   0.104
_exptl_absorpt_coefficient_mu    15.324
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.48
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic white'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.17
_exptl_special_details           
;

;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_av_unetI/netI     0.0412
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6308
_diffrn_reflns_point_group_measured_fraction_full 0.587
_diffrn_reflns_point_group_measured_fraction_max 0.578
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.800
_diffrn_reflns_theta_min         3.552
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_diffrn_source_current           0.0
_diffrn_source_power             0.0
_diffrn_source_voltage           0.0
_reflns_Friedel_coverage         0.174
_reflns_Friedel_fraction_full    0.176
_reflns_Friedel_fraction_max     0.171
_reflns_number_gt                3874
_reflns_number_total             4270
_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_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         0.530
_refine_diff_density_min         -1.859
_refine_diff_density_rms         0.204
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.17(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     377
_refine_ls_number_reflns         4270
_refine_ls_number_restraints     603
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0405
_refine_ls_restrained_S_all      1.054
_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)+(0.0599P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1067
_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. Restrained distances
 C27-C28 \\sim C28-C29 \\sim C29-C30 \\sim C30-C31 \\sim C31-C32 \\sim C32-C33
\\sim C33-C34 \\sim C34-C35
 \\sim C35-C36
 with sigma of 0.02
 C9-C10 \\sim C10-C11 \\sim C11-C12 \\sim C12-C13 \\sim C13-C14 \\sim C14-C15
\\sim C15-C16 \\sim C16-C17
 \\sim C17-C18
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
4.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B),
 C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C27(H27A,H27B),
  C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,
 H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B)
4.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C21(H21), C22(H22), C23(H23), C24(H24)
4.c Fitted hexagon refined as free rotating group:
 C2(C3,C4,C5,C6,C7), C20(C21,C22,C23,C24,C25)
4.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C18(H18A,H18B,H18C), C26(H26A,H26B,H26C), C36(H36A,H36B,H36C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.89008(5) 0.86493(5) 1.07630(4) 0.0500(4) Uani 1 1 d . U . . .
Au2 Au 0.47234(5) 0.84509(5) -0.02817(4) 0.0511(4) Uani 1 1 d . U . . .
C1 C 0.924(4) 1.040(3) 1.002(3) 0.046(4) Uani 1 1 d . U . . .
C2 C 1.009(2) 1.1764(14) 0.8881(14) 0.046(3) Uani 1 1 d G U . . .
C3 C 1.072(2) 1.2464(18) 0.8149(13) 0.056(4) Uani 1 1 d G U . . .
H3 H 1.107599 1.190993 0.764921 0.068 Uiso 1 1 calc R U . . .
C4 C 1.082(2) 1.3991(18) 0.8164(12) 0.065(4) Uani 1 1 d G U . . .
H4 H 1.124345 1.445894 0.767356 0.078 Uiso 1 1 calc R U . . .
C5 C 1.029(2) 1.4818(14) 0.8910(12) 0.059(4) Uani 1 1 d G U . . .
H5 H 1.035777 1.584020 0.892024 0.071 Uiso 1 1 calc R U . . .
C6 C 0.966(2) 1.4119(18) 0.9643(12) 0.052(4) Uani 1 1 d G U . . .
H6 H 0.930460 1.467248 1.014258 0.063 Uiso 1 1 calc R U . . .
C7 C 0.956(2) 1.2592(19) 0.9628(13) 0.049(3) Uani 1 1 d G U . . .
C8 C 0.833(4) 1.213(3) 1.108(3) 0.060(6) Uani 1 1 d . U . . .
H8A H 0.797384 1.126663 1.137196 0.091 Uiso 1 1 calc R U . . .
H8B H 0.741524 1.254905 1.077932 0.091 Uiso 1 1 calc R U . . .
H8C H 0.911978 1.286769 1.164455 0.091 Uiso 1 1 calc R U . . .
C9 C 1.024(4) 0.907(4) 0.8558(19) 0.054(4) Uani 1 1 d D U . . .
H9A H 1.016919 0.825862 0.896879 0.065 Uiso 1 1 calc R U . . .
H9B H 1.133033 0.928280 0.848259 0.065 Uiso 1 1 calc R U . . .
C10 C 0.904(3) 0.855(3) 0.7465(18) 0.064(4) Uani 1 1 d D U . . .
H10A H 0.889999 0.940152 0.710654 0.077 Uiso 1 1 calc R U . . .
H10B H 0.943605 0.785674 0.703346 0.077 Uiso 1 1 calc R U . . .
C11 C 0.745(3) 0.780(4) 0.759(2) 0.072(5) Uani 1 1 d D U . . .
H11A H 0.706657 0.849094 0.802977 0.086 Uiso 1 1 calc R U . . .
H11B H 0.759720 0.694701 0.794941 0.086 Uiso 1 1 calc R U . . .
C12 C 0.620(3) 0.727(3) 0.651(2) 0.075(5) Uani 1 1 d D U . . .
H12A H 0.641836 0.635061 0.618636 0.090 Uiso 1 1 calc R U . . .
H12B H 0.637051 0.801121 0.606712 0.090 Uiso 1 1 calc R U . . .
C13 C 0.444(3) 0.696(3) 0.648(2) 0.078(5) Uani 1 1 d D U . . .
H13A H 0.419731 0.791481 0.672205 0.094 Uiso 1 1 calc R U . . .
H13B H 0.431607 0.633964 0.701758 0.094 Uiso 1 1 calc R U . . .
C14 C 0.313(3) 0.623(3) 0.545(2) 0.080(5) Uani 1 1 d D U . . .
H14A H 0.307719 0.694587 0.495879 0.096 Uiso 1 1 calc R U . . .
H14B H 0.347274 0.538498 0.512683 0.096 Uiso 1 1 calc R U . . .
C15 C 0.146(3) 0.569(3) 0.553(2) 0.087(5) Uani 1 1 d D U . . .
H15A H 0.130977 0.635137 0.611887 0.104 Uiso 1 1 calc R U . . .
H15B H 0.138822 0.470158 0.572409 0.104 Uiso 1 1 calc R U . . .
C16 C 0.008(3) 0.561(3) 0.455(2) 0.095(6) Uani 1 1 d D U . . .
H16A H 0.023211 0.657703 0.431846 0.114 Uiso 1 1 calc R U . . .
H16B H 0.018913 0.488150 0.398454 0.114 Uiso 1 1 calc R U . . .
C17 C -0.162(3) 0.522(3) 0.461(2) 0.105(6) Uani 1 1 d D U . . .
H17A H -0.205710 0.611239 0.464406 0.126 Uiso 1 1 calc R U . . .
H17B H -0.161808 0.481448 0.526445 0.126 Uiso 1 1 calc R U . . .
C18 C -0.268(4) 0.408(4) 0.366(3) 0.133(10) Uani 1 1 d D U . . .
H18A H -0.257867 0.442647 0.300841 0.200 Uiso 1 1 calc R U . . .
H18B H -0.379274 0.393545 0.366546 0.200 Uiso 1 1 calc R U . . .
H18C H -0.233663 0.314227 0.368111 0.200 Uiso 1 1 calc R U . . .
C19 C 0.421(4) 0.679(4) 0.045(3) 0.051(4) Uani 1 1 d . U . . .
C20 C 0.390(3) 0.432(2) 0.0870(14) 0.053(4) Uani 1 1 d G U . . .
C21 C 0.378(3) 0.284(2) 0.1009(13) 0.066(5) Uani 1 1 d G U . . .
H21 H 0.413255 0.217887 0.057382 0.079 Uiso 1 1 calc R U . . .
C22 C 0.312(2) 0.2338(16) 0.1797(13) 0.071(5) Uani 1 1 d G U . . .
H22 H 0.303716 0.134419 0.189014 0.085 Uiso 1 1 calc R U . . .
C23 C 0.259(2) 0.332(2) 0.2447(13) 0.067(4) Uani 1 1 d G U . . .
H23 H 0.214861 0.298986 0.297467 0.081 Uiso 1 1 calc R U . . .
C24 C 0.271(3) 0.4811(19) 0.2308(15) 0.062(4) Uani 1 1 d G U . . .
H24 H 0.235546 0.547022 0.274288 0.075 Uiso 1 1 calc R U . . .
C25 C 0.337(3) 0.5311(17) 0.1519(16) 0.056(4) Uani 1 1 d G U . . .
C26 C 0.509(4) 0.472(4) -0.072(2) 0.060(6) Uani 1 1 d . U . . .
H26A H 0.479631 0.364164 -0.088071 0.090 Uiso 1 1 calc R U . . .
H26B H 0.625310 0.504584 -0.051459 0.090 Uiso 1 1 calc R U . . .
H26C H 0.461919 0.511219 -0.135060 0.090 Uiso 1 1 calc R U . . .
C27 C 0.324(4) 0.800(4) 0.182(2) 0.061(5) Uani 1 1 d D U . . .
H27A H 0.220097 0.763193 0.195161 0.074 Uiso 1 1 calc R U . . .
H27B H 0.308588 0.873649 0.135890 0.074 Uiso 1 1 calc R U . . .
C28 C 0.448(3) 0.877(3) 0.290(2) 0.074(5) Uani 1 1 d D U . . .
H28A H 0.439090 0.811130 0.341565 0.088 Uiso 1 1 calc R U . . .
H28B H 0.415758 0.967408 0.313524 0.088 Uiso 1 1 calc R U . . .
C29 C 0.627(3) 0.919(4) 0.293(2) 0.075(5) Uani 1 1 d D U . . .
H29A H 0.641345 1.004339 0.257298 0.090 Uiso 1 1 calc R U . . .
H29B H 0.651848 0.836138 0.251894 0.090 Uiso 1 1 calc R U . . .
C30 C 0.755(3) 0.958(3) 0.404(2) 0.078(5) Uani 1 1 d D U . . .
H30A H 0.719594 1.022921 0.452782 0.094 Uiso 1 1 calc R U . . .
H30B H 0.766877 0.867122 0.432758 0.094 Uiso 1 1 calc R U . . .
C31 C 0.918(3) 1.037(3) 0.393(2) 0.081(5) Uani 1 1 d D U . . .
H31A H 0.913444 1.135982 0.376020 0.097 Uiso 1 1 calc R U . . .
H31B H 0.948526 0.979206 0.337420 0.097 Uiso 1 1 calc R U . . .
C32 C 1.040(3) 1.047(3) 0.505(2) 0.089(5) Uani 1 1 d D U . . .
H32A H 1.017429 1.116670 0.557682 0.107 Uiso 1 1 calc R U . . .
H32B H 1.028678 0.949226 0.526267 0.107 Uiso 1 1 calc R U . . .
C33 C 1.212(3) 1.101(3) 0.497(2) 0.090(5) Uani 1 1 d D U . . .
H33A H 1.206372 1.160159 0.440049 0.107 Uiso 1 1 calc R U . . .
H33B H 1.252655 1.013458 0.475477 0.107 Uiso 1 1 calc R U . . .
C34 C 1.336(3) 1.194(3) 0.600(2) 0.089(5) Uani 1 1 d D U . . .
H34A H 1.298256 1.281801 0.621397 0.106 Uiso 1 1 calc R U . . .
H34B H 1.345302 1.134686 0.656673 0.106 Uiso 1 1 calc R U . . .
C35 C 1.504(3) 1.242(3) 0.583(2) 0.099(6) Uani 1 1 d D U . . .
H35A H 1.513908 1.343257 0.567702 0.119 Uiso 1 1 calc R U . . .
H35B H 1.507627 1.177668 0.520131 0.119 Uiso 1 1 calc R U . . .
C36 C 1.653(3) 1.241(4) 0.675(3) 0.117(8) Uani 1 1 d D U . . .
H36A H 1.652655 1.304187 0.739022 0.176 Uiso 1 1 calc R U . . .
H36B H 1.750661 1.276407 0.656341 0.176 Uiso 1 1 calc R U . . .
H36C H 1.650165 1.139940 0.689015 0.176 Uiso 1 1 calc R U . . .
Cl1 Cl 0.8591(16) 0.6660(12) 1.1635(9) 0.065(3) Uani 1 1 d . U . . .
Cl2 Cl 0.4942(15) 1.0391(14) -0.1205(9) 0.066(3) Uani 1 1 d . U . . .
N1 N 0.997(3) 1.040(3) 0.916(2) 0.046(3) Uani 1 1 d . U . . .
N2 N 0.369(3) 0.677(3) 0.127(2) 0.052(4) Uani 1 1 d . U . . .
N3 N 0.445(4) 0.527(3) 0.018(2) 0.048(4) Uani 1 1 d . U . . .
N4 N 0.904(4) 1.172(3) 1.029(2) 0.048(4) Uani 1 1 d . U . . .


_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 C1 1.99(3) . ?
Au1 Cl1 2.283(11) . ?
Au2 C19 1.95(3) . ?
Au2 Cl2 2.280(10) . ?
C1 N1 1.44(4) . ?
C1 N4 1.27(4) . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C2 N1 1.34(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 N4 1.35(3) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 N4 1.39(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.498(17) . ?
C9 N1 1.47(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.491(17) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.498(17) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.500(17) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.513(17) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.489(18) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.498(18) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.487(18) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.502(18) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 N2 1.27(4) . ?
C19 N3 1.46(4) . ?
C20 C21 1.3900 . ?
C20 C25 1.3900 . ?
C20 N3 1.43(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.3900 . ?
C22 H22 0.9300 . ?
C22 C23 1.3900 . ?
C23 H23 0.9300 . ?
C23 C24 1.3900 . ?
C24 H24 0.9300 . ?
C24 C25 1.3900 . ?
C25 N2 1.41(3) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C26 N3 1.51(3) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C28 1.527(18) . ?
C27 N2 1.44(4) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.527(18) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.530(18) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.523(19) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.545(19) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 C33 1.531(18) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C34 1.532(18) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C35 1.524(18) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.529(18) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?

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
C1 Au1 Cl1 178.4(11) . . ?
C19 Au2 Cl2 171.8(12) . . ?
N1 C1 Au1 123(2) . . ?
N4 C1 Au1 128(3) . . ?
N4 C1 N1 108(3) . . ?
C3 C2 C7 120.0 . . ?
N1 C2 C3 135.6(17) . . ?
N1 C2 C7 104.1(17) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 C2 120.0 . . ?
N4 C7 C2 110.7(17) . . ?
N4 C7 C6 129.2(17) . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N4 C8 H8A 109.5 . . ?
N4 C8 H8B 109.5 . . ?
N4 C8 H8C 109.5 . . ?
H9A C9 H9B 107.7 . . ?
C10 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
N1 C9 H9A 108.9 . . ?
N1 C9 H9B 108.9 . . ?
N1 C9 C10 113(3) . . ?
C9 C10 H10A 110.0 . . ?
C9 C10 H10B 110.0 . . ?
H10A C10 H10B 108.4 . . ?
C11 C10 C9 109(2) . . ?
C11 C10 H10A 110.0 . . ?
C11 C10 H10B 110.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 C12 111(2) . . ?
H11A C11 H11B 108.1 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C11 C12 H12A 107.9 . . ?
C11 C12 H12B 107.9 . . ?
C11 C12 C13 118(2) . . ?
H12A C12 H12B 107.2 . . ?
C13 C12 H12A 107.9 . . ?
C13 C12 H12B 107.9 . . ?
C12 C13 H13A 107.3 . . ?
C12 C13 H13B 107.3 . . ?
C12 C13 C14 120(2) . . ?
H13A C13 H13B 106.9 . . ?
C14 C13 H13A 107.3 . . ?
C14 C13 H13B 107.3 . . ?
C13 C14 H14A 108.1 . . ?
C13 C14 H14B 108.1 . . ?
H14A C14 H14B 107.3 . . ?
C15 C14 C13 117(2) . . ?
C15 C14 H14A 108.1 . . ?
C15 C14 H14B 108.1 . . ?
C14 C15 H15A 108.3 . . ?
C14 C15 H15B 108.3 . . ?
C14 C15 C16 116(3) . . ?
H15A C15 H15B 107.4 . . ?
C16 C15 H15A 108.3 . . ?
C16 C15 H15B 108.3 . . ?
C15 C16 H16A 107.7 . . ?
C15 C16 H16B 107.7 . . ?
H16A C16 H16B 107.1 . . ?
C17 C16 C15 119(3) . . ?
C17 C16 H16A 107.7 . . ?
C17 C16 H16B 107.7 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 C18 111(2) . . ?
H17A C17 H17B 108.1 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C19 Au2 130(2) . . ?
N2 C19 N3 105(3) . . ?
N3 C19 Au2 125(2) . . ?
C21 C20 C25 120.0 . . ?
C21 C20 N3 138.4(17) . . ?
C25 C20 N3 101.6(17) . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C20 C25 N2 110.1(18) . . ?
C24 C25 C20 120.0 . . ?
C24 C25 N2 129.8(18) . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N3 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
N3 C26 H26C 109.5 . . ?
H27A C27 H27B 107.6 . . ?
C28 C27 H27A 108.6 . . ?
C28 C27 H27B 108.6 . . ?
N2 C27 H27A 108.6 . . ?
N2 C27 H27B 108.6 . . ?
N2 C27 C28 115(3) . . ?
C27 C28 H28A 107.7 . . ?
C27 C28 H28B 107.7 . . ?
C27 C28 C29 118(3) . . ?
H28A C28 H28B 107.1 . . ?
C29 C28 H28A 107.7 . . ?
C29 C28 H28B 107.7 . . ?
C28 C29 H29A 107.8 . . ?
C28 C29 H29B 107.8 . . ?
C28 C29 C30 118(2) . . ?
H29A C29 H29B 107.1 . . ?
C30 C29 H29A 107.8 . . ?
C30 C29 H29B 107.8 . . ?
C29 C30 H30A 109.7 . . ?
C29 C30 H30B 109.7 . . ?
H30A C30 H30B 108.2 . . ?
C31 C30 C29 110(2) . . ?
C31 C30 H30A 109.7 . . ?
C31 C30 H30B 109.7 . . ?
C30 C31 H31A 110.9 . . ?
C30 C31 H31B 110.9 . . ?
C30 C31 C32 104(2) . . ?
H31A C31 H31B 108.9 . . ?
C32 C31 H31A 110.9 . . ?
C32 C31 H31B 110.9 . . ?
C31 C32 H32A 110.1 . . ?
C31 C32 H32B 110.1 . . ?
H32A C32 H32B 108.4 . . ?
C33 C32 C31 108(2) . . ?
C33 C32 H32A 110.1 . . ?
C33 C32 H32B 110.1 . . ?
C32 C33 H33A 108.4 . . ?
C32 C33 H33B 108.4 . . ?
C32 C33 C34 116(2) . . ?
H33A C33 H33B 107.4 . . ?
C34 C33 H33A 108.4 . . ?
C34 C33 H33B 108.4 . . ?
C33 C34 H34A 109.3 . . ?
C33 C34 H34B 109.3 . . ?
H34A C34 H34B 108.0 . . ?
C35 C34 C33 112(2) . . ?
C35 C34 H34A 109.3 . . ?
C35 C34 H34B 109.3 . . ?
C34 C35 H35A 107.9 . . ?
C34 C35 H35B 107.9 . . ?
C34 C35 C36 118(2) . . ?
H35A C35 H35B 107.2 . . ?
C36 C35 H35A 107.9 . . ?
C36 C35 H35B 107.9 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C1 N1 C9 125(3) . . ?
C2 N1 C1 108(2) . . ?
C2 N1 C9 126(2) . . ?
C19 N2 C25 112(3) . . ?
C19 N2 C27 126(3) . . ?
C25 N2 C27 121(3) . . ?
C19 N3 C26 126(3) . . ?
C20 N3 C19 111(2) . . ?
C20 N3 C26 123(2) . . ?
C1 N4 C7 108(3) . . ?
C1 N4 C8 125(3) . . ?
C7 N4 C8 127(3) . . ?

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 C1 N1 C2 -176.9(19) . . . . ?
Au1 C1 N1 C9 14(4) . . . . ?
Au1 C1 N4 C7 174(2) . . . . ?
Au1 C1 N4 C8 -9(5) . . . . ?
Au2 C19 N2 C25 176(2) . . . . ?
Au2 C19 N2 C27 5(6) . . . . ?
Au2 C19 N3 C20 -179(2) . . . . ?
Au2 C19 N3 C26 -2(5) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C2 C7 N4 C1 1(3) . . . . ?
C2 C7 N4 C8 -176(3) . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
C3 C2 C7 N4 -178(2) . . . . ?
C3 C2 N1 C1 177.4(19) . . . . ?
C3 C2 N1 C9 -13(4) . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C6 C7 C2 0.0 . . . . ?
C5 C6 C7 N4 178(3) . . . . ?
C6 C7 N4 C1 -176.4(19) . . . . ?
C6 C7 N4 C8 7(4) . . . . ?
C7 C2 C3 C4 0.0 . . . . ?
C7 C2 N1 C1 5(2) . . . . ?
C7 C2 N1 C9 174(2) . . . . ?
C9 C10 C11 C12 180(3) . . . . ?
C10 C9 N1 C1 104(3) . . . . ?
C10 C9 N1 C2 -64(4) . . . . ?
C10 C11 C12 C13 -160(3) . . . . ?
C11 C12 C13 C14 -172(3) . . . . ?
C12 C13 C14 C15 168(2) . . . . ?
C13 C14 C15 C16 154(3) . . . . ?
C14 C15 C16 C17 -174(2) . . . . ?
C15 C16 C17 C18 -135(3) . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C20 C25 N2 C19 7(3) . . . . ?
C20 C25 N2 C27 179(2) . . . . ?
C21 C20 C25 C24 0.0 . . . . ?
C21 C20 C25 N2 176.9(19) . . . . ?
C21 C20 N3 C19 179(2) . . . . ?
C21 C20 N3 C26 2(4) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C20 0.0 . . . . ?
C23 C24 C25 N2 -176(2) . . . . ?
C24 C25 N2 C19 -176(2) . . . . ?
C24 C25 N2 C27 -4(4) . . . . ?
C25 C20 C21 C22 0.0 . . . . ?
C25 C20 N3 C19 0(3) . . . . ?
C25 C20 N3 C26 -177(2) . . . . ?
C27 C28 C29 C30 -165(3) . . . . ?
C28 C27 N2 C19 -105(4) . . . . ?
C28 C27 N2 C25 84(4) . . . . ?
C28 C29 C30 C31 -165(3) . . . . ?
C29 C30 C31 C32 -171(3) . . . . ?
C30 C31 C32 C33 171(2) . . . . ?
C31 C32 C33 C34 149(3) . . . . ?
C32 C33 C34 C35 -180(2) . . . . ?
C33 C34 C35 C36 -141(3) . . . . ?
N1 C1 N4 C7 2(4) . . . . ?
N1 C1 N4 C8 179(3) . . . . ?
N1 C2 C3 C4 -172(2) . . . . ?
N1 C2 C7 C6 174.2(18) . . . . ?
N1 C2 C7 N4 -4(2) . . . . ?
N1 C9 C10 C11 -75(3) . . . . ?
N2 C19 N3 C20 5(4) . . . . ?
N2 C19 N3 C26 -179(3) . . . . ?
N2 C27 C28 C29 48(4) . . . . ?
N3 C19 N2 C25 -7(4) . . . . ?
N3 C19 N2 C27 -178(3) . . . . ?
N3 C20 C21 C22 -179(3) . . . . ?
N3 C20 C25 C24 179(2) . . . . ?
N3 C20 C25 N2 -3.8(19) . . . . ?
N4 C1 N1 C2 -4(4) . . . . ?
N4 C1 N1 C9 -173(3) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
