# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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_Au_DippIm_Cz_DMF
_database_code_depnum_ccdc_archive 'CCDC 2463745'
loop_
_audit_author_name
_audit_author_address
'Hyokyung Kim'
;Ulsan National Institute of Science and Technology (UNIST)
South Korea
;
_audit_update_record             
;
2025-06-13 deposited with the CCDC.	2025-12-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H44 Au N3'
_chemical_formula_weight         751.74

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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.378(2)
_cell_length_b                   14.847(3)
_cell_length_c                   22.544(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.85(3)
_cell_angle_gamma                90
_cell_volume                     3449.0(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    26054
_cell_measurement_theta_min      2.075
_cell_measurement_theta_max      25.250

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_F_000             1512
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    4.295
_shelx_estimated_absorpt_T_min   0.565
_shelx_estimated_absorpt_T_max   0.649
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.565
_exptl_absorpt_correction_T_max  0.649
_exptl_absorpt_process_details   'Rigaku Rapid Auto'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'imaging plate'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26054
_diffrn_reflns_av_unetI/netI     0.0820
_diffrn_reflns_av_R_equivalents  0.1037
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.075
_diffrn_reflns_theta_max         25.250
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             6226
_reflns_number_gt                4538
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       'Rigaku Rapid Auto'
_computing_cell_refinement       'Rigaku Rapid Auto'
_computing_data_reduction        'Rigaku Rapid Auto'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_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)+(0.0684P)²+3.4064P] 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_number_reflns         6226
_refine_ls_number_parameters     417
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0580
_refine_ls_wR_factor_ref         0.1390
_refine_ls_wR_factor_gt          0.1247
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.079
_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 0.34958(4) 0.62330(2) 0.33161(2) 0.02595(15) Uani 0.956(5) 1 d . U P A 1
N1 N 0.4012(7) 0.7400(5) 0.3726(3) 0.0304(17) Uani 1 1 d . . . . .
N2 N 0.3225(7) 0.4234(5) 0.3225(3) 0.0300(18) Uani 1 1 d . . . . .
N3 N 0.2508(8) 0.4832(5) 0.2397(3) 0.0324(19) Uani 1 1 d . . . . .
C1 C 0.5279(10) 0.7727(6) 0.3832(4) 0.032(2) Uani 1 1 d . . . . .
C2 C 0.6354(10) 0.7485(6) 0.3551(4) 0.041(2) Uani 1 1 d . . . . .
H2 H 0.626540 0.707356 0.322577 0.049 Uiso 1 1 calc R U . . .
C3 C 0.7536(11) 0.7847(7) 0.3750(5) 0.047(3) Uani 1 1 d . . . . .
H3 H 0.827269 0.768326 0.356112 0.057 Uiso 1 1 calc R U . . .
C4 C 0.7681(11) 0.8458(7) 0.4231(5) 0.047(3) Uani 1 1 d . . . . .
H4 H 0.851673 0.868983 0.436859 0.056 Uiso 1 1 calc R U . . .
C5 C 0.6640(9) 0.8718(6) 0.4500(4) 0.038(2) Uani 1 1 d . . . . .
H5 H 0.674394 0.914494 0.481576 0.046 Uiso 1 1 calc R U . . .
C6 C 0.5403(9) 0.8356(6) 0.4310(4) 0.031(2) Uani 1 1 d . . . . .
C7 C 0.4153(9) 0.8420(5) 0.4506(4) 0.027(2) Uani 1 1 d . . . . .
C8 C 0.3343(10) 0.7821(6) 0.4144(4) 0.033(2) Uani 1 1 d . . . . .
C9 C 0.3655(11) 0.8886(6) 0.4963(4) 0.040(3) Uani 1 1 d . . . . .
H9 H 0.419454 0.929147 0.520554 0.048 Uiso 1 1 calc R U . . .
C10 C 0.2395(12) 0.8764(8) 0.5064(4) 0.054(3) Uani 1 1 d . . . . .
H10 H 0.205508 0.909429 0.537143 0.065 Uiso 1 1 calc R U . . .
C11 C 0.1610(11) 0.8159(7) 0.4718(5) 0.049(3) Uani 1 1 d . . . . .
H11 H 0.074594 0.806206 0.480244 0.059 Uiso 1 1 calc R U . . .
C12 C 0.2063(10) 0.7692(6) 0.4251(4) 0.039(2) Uani 1 1 d . . . . .
H12 H 0.151001 0.729309 0.400871 0.046 Uiso 1 1 calc R U . . .
C13 C 0.3049(9) 0.5047(6) 0.2957(4) 0.030(2) Uani 1 1 d . . . . .
C14 C 0.2809(9) 0.3531(6) 0.2836(4) 0.033(2) Uani 1 1 d . . . . .
H14 H 0.283286 0.290437 0.292207 0.040 Uiso 1 1 calc R U . . .
C15 C 0.2371(10) 0.3923(5) 0.2317(4) 0.036(2) Uani 1 1 d . . . . .
H15 H 0.202840 0.362570 0.195972 0.043 Uiso 1 1 calc R U . . .
C16 C 0.3797(10) 0.4085(6) 0.3847(4) 0.033(2) Uani 1 1 d . . . . .
C17 C 0.2951(11) 0.4012(6) 0.4279(4) 0.038(2) Uani 1 1 d . . . . .
C18 C 0.3553(11) 0.3854(6) 0.4862(4) 0.041(2) Uani 1 1 d . . . . .
H18 H 0.302609 0.380335 0.517709 0.050 Uiso 1 1 calc R U . . .
C19 C 0.4848(11) 0.3771(6) 0.4990(4) 0.044(3) Uani 1 1 d . . . . .
H19 H 0.521159 0.365852 0.538987 0.053 Uiso 1 1 calc R U . . .
C20 C 0.5652(9) 0.3846(6) 0.4549(4) 0.040(2) Uani 1 1 d . . . . .
H20 H 0.656321 0.378810 0.464954 0.048 Uiso 1 1 calc R U . . .
C21 C 0.5136(10) 0.4009(6) 0.3947(4) 0.034(2) Uani 1 1 d . . . . .
C22 C 0.2091(9) 0.5507(6) 0.1941(3) 0.029(2) Uani 1 1 d . . . . .
C23 C 0.2998(10) 0.5857(6) 0.1592(4) 0.034(2) Uani 1 1 d . . . . .
C24 C 0.2491(11) 0.6452(6) 0.1132(4) 0.043(3) Uani 1 1 d . . . . .
H24 H 0.306257 0.670363 0.087768 0.051 Uiso 1 1 calc R U . . .
C25 C 0.1195(10) 0.6680(6) 0.1042(4) 0.039(2) Uani 1 1 d . . . . .
H25 H 0.087847 0.706283 0.071991 0.046 Uiso 1 1 calc R U . . .
C26 C 0.0372(10) 0.6352(6) 0.1417(4) 0.041(2) Uani 1 1 d . . . . .
H26 H -0.051166 0.653480 0.136553 0.050 Uiso 1 1 calc R U . . .
C27 C 0.0801(11) 0.5756(6) 0.1873(4) 0.041(3) Uani 1 1 d . . . . .
C28 C 0.1503(11) 0.4155(8) 0.4154(5) 0.054(3) Uani 1 1 d . . . . .
H28 H 0.124076 0.403296 0.372011 0.065 Uiso 1 1 calc R U . . .
C29 C 0.1144(13) 0.5104(8) 0.4275(6) 0.070(4) Uani 1 1 d . . . . .
H29A H 0.020076 0.517394 0.419576 0.104 Uiso 1 1 calc R U . . .
H29B H 0.156621 0.550996 0.401491 0.104 Uiso 1 1 calc R U . . .
H29C H 0.143073 0.525068 0.469370 0.104 Uiso 1 1 calc R U . . .
C30 C 0.6043(11) 0.4119(8) 0.3475(5) 0.055(3) Uani 1 1 d . . . . .
H30 H 0.549555 0.419582 0.308207 0.066 Uiso 1 1 calc R U . . .
C31 C 0.6851(15) 0.4941(9) 0.3580(7) 0.083(4) Uani 1 1 d . . . . .
H31A H 0.742440 0.499640 0.326696 0.124 Uiso 1 1 calc R U . . .
H31B H 0.737418 0.489888 0.397078 0.124 Uiso 1 1 calc R U . . .
H31C H 0.628655 0.547152 0.357266 0.124 Uiso 1 1 calc R U . . .
C32 C 0.4412(11) 0.5629(7) 0.1683(4) 0.047(3) Uani 1 1 d . . . . .
H32 H 0.456276 0.521345 0.203319 0.057 Uiso 1 1 calc R U . . .
C33 C 0.4843(14) 0.5150(11) 0.1147(7) 0.102(6) Uani 1 1 d . . . . .
H33A H 0.559461 0.476900 0.127680 0.152 Uiso 1 1 calc R U . . .
H33B H 0.508135 0.559643 0.085885 0.152 Uiso 1 1 calc R U . . .
H33C H 0.413147 0.477538 0.095853 0.152 Uiso 1 1 calc R U . . .
C34 C -0.0140(10) 0.5433(8) 0.2296(4) 0.048(3) Uani 1 1 d . . . . .
H34 H 0.031833 0.496441 0.256162 0.058 Uiso 1 1 calc R U . . .
C35 C -0.1333(12) 0.5003(9) 0.1977(5) 0.067(4) Uani 1 1 d . . . . .
H35A H -0.187675 0.477302 0.226960 0.100 Uiso 1 1 calc R U . . .
H35B H -0.108124 0.450500 0.172969 0.100 Uiso 1 1 calc R U . . .
H35C H -0.182145 0.545132 0.172153 0.100 Uiso 1 1 calc R U . . .
C36 C 0.0737(14) 0.3508(9) 0.4514(8) 0.092(5) Uani 1 1 d . . . . .
H36A H -0.014120 0.342829 0.430726 0.137 Uiso 1 1 calc R U . . .
H36B H 0.068584 0.375903 0.491260 0.137 Uiso 1 1 calc R U . . .
H36C H 0.117792 0.292313 0.455195 0.137 Uiso 1 1 calc R U . . .
C37 C 0.6916(18) 0.3314(10) 0.3420(8) 0.119(7) Uani 1 1 d . . . . .
H37A H 0.752674 0.344906 0.313205 0.178 Uiso 1 1 calc R U . . .
H37B H 0.638617 0.279163 0.328083 0.178 Uiso 1 1 calc R U . . .
H37C H 0.739873 0.318011 0.380994 0.178 Uiso 1 1 calc R U . . .
C38 C 0.5233(12) 0.6480(9) 0.1829(6) 0.078(4) Uani 1 1 d . . . . .
H38A H 0.613402 0.630762 0.195762 0.117 Uiso 1 1 calc R U . . .
H38B H 0.488812 0.681519 0.214979 0.117 Uiso 1 1 calc R U . . .
H38C H 0.519917 0.686077 0.147202 0.117 Uiso 1 1 calc R U . . .
C39 C -0.0487(14) 0.6213(9) 0.2698(5) 0.074(4) Uani 1 1 d . . . . .
H39A H -0.099169 0.598005 0.300545 0.111 Uiso 1 1 calc R U . . .
H39B H -0.100135 0.666198 0.245519 0.111 Uiso 1 1 calc R U . . .
H39C H 0.031172 0.649236 0.288948 0.111 Uiso 1 1 calc R U . . .
Au1B Au 0.259(2) 0.6246(13) 0.3472(7) 0.022(2) Uani 0.0171(9) 1 d . U P A 2
Au1C Au 0.442(2) 0.6249(13) 0.3147(7) 0.023(2) Uani 0.0172(9) 1 d . U P A 3


_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 C13 1.970(8) . ?
Au1 N1 2.006(7) . ?
N1 C8 1.384(11) . ?
N1 C1 1.395(12) . ?
N1 Au1C 2.22(2) . ?
N1 Au1B 2.29(2) . ?
N2 C13 1.353(11) . ?
N2 C14 1.398(10) . ?
N2 C16 1.473(10) . ?
N3 C13 1.358(10) . ?
N3 C15 1.367(10) . ?
N3 C22 1.463(11) . ?
C1 C2 1.394(14) . ?
C1 C6 1.420(12) . ?
C2 C3 1.365(14) . ?
C2 H2 0.9500 . ?
C3 C4 1.408(14) . ?
C3 H3 0.9500 . ?
C4 C5 1.357(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.410(13) . ?
C5 H5 0.9500 . ?
C6 C7 1.424(13) . ?
C7 C9 1.390(13) . ?
C7 C8 1.413(12) . ?
C8 C12 1.392(14) . ?
C9 C10 1.366(16) . ?
C9 H9 0.9500 . ?
C10 C11 1.389(15) . ?
C10 H10 0.9500 . ?
C11 C12 1.389(14) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 Au1B 2.21(2) . ?
C13 Au1C 2.29(2) . ?
C14 C15 1.337(13) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.385(13) . ?
C16 C17 1.390(13) . ?
C17 C18 1.407(13) . ?
C17 C28 1.510(15) . ?
C18 C19 1.346(15) . ?
C18 H18 0.9500 . ?
C19 C20 1.375(14) . ?
C19 H19 0.9500 . ?
C20 C21 1.420(12) . ?
C20 H20 0.9500 . ?
C21 C30 1.512(15) . ?
C22 C27 1.380(14) . ?
C22 C23 1.398(13) . ?
C23 C24 1.414(13) . ?
C23 C32 1.496(14) . ?
C24 C25 1.377(14) . ?
C24 H24 0.9500 . ?
C25 C26 1.361(14) . ?
C25 H25 0.9500 . ?
C26 C27 1.390(12) . ?
C26 H26 0.9500 . ?
C27 C34 1.521(14) . ?
C28 C29 1.490(15) . ?
C28 C36 1.539(18) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.483(16) . ?
C30 C37 1.514(18) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.514(15) . ?
C32 C38 1.538(16) . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.498(14) . ?
C34 C39 1.539(15) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?

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
C13 Au1 N1 176.3(3) . . ?
C8 N1 C1 105.4(7) . . ?
C8 N1 Au1 125.2(6) . . ?
C1 N1 Au1 125.0(6) . . ?
C8 N1 Au1C 153.3(9) . . ?
C1 N1 Au1C 97.3(8) . . ?
C8 N1 Au1B 98.4(8) . . ?
C1 N1 Au1B 150.5(8) . . ?
C13 N2 C14 111.7(7) . . ?
C13 N2 C16 125.2(7) . . ?
C14 N2 C16 123.0(7) . . ?
C13 N3 C15 112.3(7) . . ?
C13 N3 C22 123.2(7) . . ?
C15 N3 C22 124.5(7) . . ?
C2 C1 N1 128.4(8) . . ?
C2 C1 C6 120.6(9) . . ?
N1 C1 C6 110.9(8) . . ?
C3 C2 C1 119.1(9) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 121.1(10) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C5 C4 C3 120.6(10) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 120.0(9) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 118.6(9) . . ?
C5 C6 C7 135.3(8) . . ?
C1 C6 C7 106.0(8) . . ?
C9 C7 C8 119.6(9) . . ?
C9 C7 C6 134.1(9) . . ?
C8 C7 C6 106.2(8) . . ?
N1 C8 C12 128.4(8) . . ?
N1 C8 C7 111.4(9) . . ?
C12 C8 C7 120.1(8) . . ?
C10 C9 C7 120.4(9) . . ?
C10 C9 H9 119.8 . . ?
C7 C9 H9 119.8 . . ?
C9 C10 C11 120.0(10) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 121.4(11) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C11 C12 C8 118.6(9) . . ?
C11 C12 H12 120.7 . . ?
C8 C12 H12 120.7 . . ?
N2 C13 N3 103.0(7) . . ?
N2 C13 Au1 127.0(6) . . ?
N3 C13 Au1 130.0(6) . . ?
N2 C13 Au1B 120.7(7) . . ?
N3 C13 Au1B 125.9(8) . . ?
N2 C13 Au1C 124.4(7) . . ?
N3 C13 Au1C 122.3(7) . . ?
C15 C14 N2 105.8(8) . . ?
C15 C14 H14 127.1 . . ?
N2 C14 H14 127.1 . . ?
C14 C15 N3 107.2(8) . . ?
C14 C15 H15 126.4 . . ?
N3 C15 H15 126.4 . . ?
C21 C16 C17 125.9(8) . . ?
C21 C16 N2 116.7(8) . . ?
C17 C16 N2 117.4(9) . . ?
C16 C17 C18 114.8(10) . . ?
C16 C17 C28 123.8(9) . . ?
C18 C17 C28 121.3(9) . . ?
C19 C18 C17 122.5(10) . . ?
C19 C18 H18 118.8 . . ?
C17 C18 H18 118.8 . . ?
C18 C19 C20 120.9(9) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 H19 119.5 . . ?
C19 C20 C21 120.8(9) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C16 C21 C20 115.2(9) . . ?
C16 C21 C30 125.0(8) . . ?
C20 C21 C30 119.8(9) . . ?
C27 C22 C23 123.2(8) . . ?
C27 C22 N3 117.6(8) . . ?
C23 C22 N3 119.2(8) . . ?
C22 C23 C24 115.3(9) . . ?
C22 C23 C32 123.6(8) . . ?
C24 C23 C32 121.0(9) . . ?
C25 C24 C23 122.2(10) . . ?
C25 C24 H24 118.9 . . ?
C23 C24 H24 118.9 . . ?
C26 C25 C24 119.6(9) . . ?
C26 C25 H25 120.2 . . ?
C24 C25 H25 120.2 . . ?
C25 C26 C27 121.2(10) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C22 C27 C26 118.2(10) . . ?
C22 C27 C34 122.2(8) . . ?
C26 C27 C34 119.5(10) . . ?
C29 C28 C17 111.3(10) . . ?
C29 C28 C36 109.7(10) . . ?
C17 C28 C36 112.3(10) . . ?
C29 C28 H28 107.8 . . ?
C17 C28 H28 107.8 . . ?
C36 C28 H28 107.8 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C21 111.3(10) . . ?
C31 C30 C37 109.3(12) . . ?
C21 C30 C37 113.6(10) . . ?
C31 C30 H30 107.4 . . ?
C21 C30 H30 107.4 . . ?
C37 C30 H30 107.4 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C23 C32 C33 112.0(9) . . ?
C23 C32 C38 110.7(9) . . ?
C33 C32 C38 110.3(11) . . ?
C23 C32 H32 107.9 . . ?
C33 C32 H32 107.9 . . ?
C38 C32 H32 107.9 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C27 112.8(8) . . ?
C35 C34 C39 111.4(10) . . ?
C27 C34 C39 110.1(9) . . ?
C35 C34 H34 107.4 . . ?
C27 C34 H34 107.4 . . ?
C39 C34 H34 107.4 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C28 C36 H36A 109.5 . . ?
C28 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C28 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C30 C37 H37A 109.5 . . ?
C30 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C30 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C32 C38 H38A 109.5 . . ?
C32 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C32 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C13 Au1B N1 124.0(11) . . ?
N1 Au1C C13 123.6(11) . . ?

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
C8 N1 C1 C2 176.8(8) . . . . ?
Au1 N1 C1 C2 19.6(13) . . . . ?
Au1C N1 C1 C2 11.0(11) . . . . ?
Au1B N1 C1 C2 34.1(19) . . . . ?
C8 N1 C1 C6 -0.5(9) . . . . ?
Au1 N1 C1 C6 -157.8(6) . . . . ?
Au1C N1 C1 C6 -166.4(7) . . . . ?
Au1B N1 C1 C6 -143.2(12) . . . . ?
N1 C1 C2 C3 -175.7(9) . . . . ?
C6 C1 C2 C3 1.4(13) . . . . ?
C1 C2 C3 C4 -0.1(15) . . . . ?
C2 C3 C4 C5 -1.6(16) . . . . ?
C3 C4 C5 C6 1.9(15) . . . . ?
C4 C5 C6 C1 -0.6(13) . . . . ?
C4 C5 C6 C7 174.7(9) . . . . ?
C2 C1 C6 C5 -1.1(12) . . . . ?
N1 C1 C6 C5 176.5(7) . . . . ?
C2 C1 C6 C7 -177.7(8) . . . . ?
N1 C1 C6 C7 -0.1(9) . . . . ?
C5 C6 C7 C9 1.6(17) . . . . ?
C1 C6 C7 C9 177.3(9) . . . . ?
C5 C6 C7 C8 -175.1(10) . . . . ?
C1 C6 C7 C8 0.6(9) . . . . ?
C1 N1 C8 C12 -176.2(9) . . . . ?
Au1 N1 C8 C12 -19.0(12) . . . . ?
Au1C N1 C8 C12 -29(2) . . . . ?
Au1B N1 C8 C12 -13.7(11) . . . . ?
C1 N1 C8 C7 1.0(9) . . . . ?
Au1 N1 C8 C7 158.2(5) . . . . ?
Au1C N1 C8 C7 148.3(14) . . . . ?
Au1B N1 C8 C7 163.4(7) . . . . ?
C9 C7 C8 N1 -178.3(7) . . . . ?
C6 C7 C8 N1 -1.0(9) . . . . ?
C9 C7 C8 C12 -0.8(12) . . . . ?
C6 C7 C8 C12 176.4(8) . . . . ?
C8 C7 C9 C10 0.3(14) . . . . ?
C6 C7 C9 C10 -176.0(9) . . . . ?
C7 C9 C10 C11 1.3(16) . . . . ?
C9 C10 C11 C12 -2.5(16) . . . . ?
C10 C11 C12 C8 1.9(15) . . . . ?
N1 C8 C12 C11 176.6(8) . . . . ?
C7 C8 C12 C11 -0.3(13) . . . . ?
C14 N2 C13 N3 0.4(10) . . . . ?
C16 N2 C13 N3 179.7(8) . . . . ?
C14 N2 C13 Au1 -179.4(7) . . . . ?
C16 N2 C13 Au1 -0.1(14) . . . . ?
C14 N2 C13 Au1B 147.2(9) . . . . ?
C16 N2 C13 Au1B -33.5(14) . . . . ?
C14 N2 C13 Au1C -145.0(9) . . . . ?
C16 N2 C13 Au1C 34.3(14) . . . . ?
C15 N3 C13 N2 -0.9(11) . . . . ?
C22 N3 C13 N2 177.5(8) . . . . ?
C15 N3 C13 Au1 178.9(8) . . . . ?
C22 N3 C13 Au1 -2.7(14) . . . . ?
C15 N3 C13 Au1B -145.4(10) . . . . ?
C22 N3 C13 Au1B 33.0(15) . . . . ?
C15 N3 C13 Au1C 145.5(10) . . . . ?
C22 N3 C13 Au1C -36.1(14) . . . . ?
C13 N2 C14 C15 0.2(11) . . . . ?
C16 N2 C14 C15 -179.2(9) . . . . ?
N2 C14 C15 N3 -0.7(11) . . . . ?
C13 N3 C15 C14 1.0(12) . . . . ?
C22 N3 C15 C14 -177.4(9) . . . . ?
C13 N2 C16 C21 -87.3(11) . . . . ?
C14 N2 C16 C21 91.9(11) . . . . ?
C13 N2 C16 C17 94.1(11) . . . . ?
C14 N2 C16 C17 -86.7(11) . . . . ?
C21 C16 C17 C18 0.4(14) . . . . ?
N2 C16 C17 C18 178.9(8) . . . . ?
C21 C16 C17 C28 176.2(9) . . . . ?
N2 C16 C17 C28 -5.3(13) . . . . ?
C16 C17 C18 C19 -0.6(13) . . . . ?
C28 C17 C18 C19 -176.5(9) . . . . ?
C17 C18 C19 C20 0.5(15) . . . . ?
C18 C19 C20 C21 -0.3(15) . . . . ?
C17 C16 C21 C20 -0.2(14) . . . . ?
N2 C16 C21 C20 -178.7(8) . . . . ?
C17 C16 C21 C30 -177.9(9) . . . . ?
N2 C16 C21 C30 3.6(14) . . . . ?
C19 C20 C21 C16 0.2(13) . . . . ?
C19 C20 C21 C30 178.0(10) . . . . ?
C13 N3 C22 C27 -95.8(11) . . . . ?
C15 N3 C22 C27 82.4(12) . . . . ?
C13 N3 C22 C23 85.1(11) . . . . ?
C15 N3 C22 C23 -96.7(11) . . . . ?
C27 C22 C23 C24 -3.7(13) . . . . ?
N3 C22 C23 C24 175.3(7) . . . . ?
C27 C22 C23 C32 176.6(9) . . . . ?
N3 C22 C23 C32 -4.4(13) . . . . ?
C22 C23 C24 C25 0.9(13) . . . . ?
C32 C23 C24 C25 -179.4(9) . . . . ?
C23 C24 C25 C26 2.5(14) . . . . ?
C24 C25 C26 C27 -3.2(14) . . . . ?
C23 C22 C27 C26 3.1(14) . . . . ?
N3 C22 C27 C26 -175.9(8) . . . . ?
C23 C22 C27 C34 -174.1(8) . . . . ?
N3 C22 C27 C34 6.8(13) . . . . ?
C25 C26 C27 C22 0.5(14) . . . . ?
C25 C26 C27 C34 177.8(9) . . . . ?
C16 C17 C28 C29 -93.4(11) . . . . ?
C18 C17 C28 C29 82.2(12) . . . . ?
C16 C17 C28 C36 143.2(11) . . . . ?
C18 C17 C28 C36 -41.3(13) . . . . ?
C16 C21 C30 C31 112.1(12) . . . . ?
C20 C21 C30 C31 -65.5(14) . . . . ?
C16 C21 C30 C37 -123.9(12) . . . . ?
C20 C21 C30 C37 58.5(14) . . . . ?
C22 C23 C32 C33 117.0(12) . . . . ?
C24 C23 C32 C33 -62.7(14) . . . . ?
C22 C23 C32 C38 -119.4(10) . . . . ?
C24 C23 C32 C38 60.9(12) . . . . ?
C22 C27 C34 C35 -126.8(11) . . . . ?
C26 C27 C34 C35 55.9(14) . . . . ?
C22 C27 C34 C39 108.0(11) . . . . ?
C26 C27 C34 C39 -69.3(12) . . . . ?

_refine_diff_density_max         2.419
_refine_diff_density_min         -1.584
_refine_diff_density_rms         0.177



