# Electronic Supplementary Material (ESI) for Chemical Communications.
# 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 
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data_out7a26_pl
_database_code_depnum_ccdc_archive 'CCDC 2105507'
loop_
_audit_author_name
_audit_author_address
'Nattamai Bhuvanesh'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2021-08-25 deposited with the CCDC.	2021-12-17 downloaded from the CCDC.
;
_audit_creation_date             2021-08-24
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H58 Au2 N6'
_chemical_formula_sum            'C42 H58 Au2 N6'
_chemical_formula_weight         1040.87
_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'
N N 0.0061 0.0033 '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           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9350(6)
_cell_length_b                   13.4552(6)
_cell_length_c                   13.4592(6)
_cell_angle_alpha                73.740(2)
_cell_angle_beta                 85.810(2)
_cell_angle_gamma                76.741(2)
_cell_volume                     2019.53(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9774
_cell_measurement_temperature    110.15
_cell_measurement_theta_max      33.041
_cell_measurement_theta_min      2.346
_shelx_estimated_absorpt_T_max   0.669
_shelx_estimated_absorpt_T_min   0.333
_exptl_absorpt_coefficient_mu    7.292
_exptl_absorpt_correction_T_max  0.3399
_exptl_absorpt_correction_T_min  0.2136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0821 before and 0.0483 after correction.
The Ratio of minimum to maximum transmission is 0.6284.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.193
_exptl_crystal_size_mid          0.066
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            232181
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.164
_diffrn_reflns_theta_min         1.753
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker QUEST PHOTON-III'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12991
_reflns_number_total             15400
_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       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.439
_refine_diff_density_min         -2.045
_refine_diff_density_rms         0.137
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     473
_refine_ls_number_reflns         15400
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0236
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0204P)²+6.2128P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0582
_refine_ls_wR_factor_ref         0.0612
_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 Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C22(H22A,H22B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3A), C5(H5), C11(H11), C12(H12), C13(H13), C30(H30), C31(H31), C32(H32),
 C36(H36), C38(H38)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C15(H15A,H15B,H15C),
 C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C25(H25A,H25B,
 H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C33(H33A,H33B,H33C), C40(H40A,
 H40B,H40C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.64694(2) 0.20896(2) 0.31167(2) 0.01734(2) Uani 1 1 d . . . . .
Au2 Au 0.66949(2) 0.77634(2) 0.24436(2) 0.01852(3) Uani 1 1 d . . . . .
N1 N 0.4762(2) 0.21535(19) 0.36507(19) 0.0199(4) Uani 1 1 d . . . . .
N2 N 0.48082(19) 0.38158(19) 0.38212(18) 0.0185(4) Uani 1 1 d . . . . .
N3 N 0.5537(2) 0.5268(2) 0.3150(2) 0.0210(4) Uani 1 1 d . . . . .
H3 H 0.553(4) 0.571(3) 0.276(3) 0.028(11) Uiso 1 1 d . . . . .
N4 N 0.8043(2) 0.43808(19) 0.3231(2) 0.0210(4) Uani 1 1 d . . . . .
H4 H 0.813(3) 0.400(3) 0.293(3) 0.024(10) Uiso 1 1 d . . . . .
N5 N 0.85344(19) 0.57386(18) 0.36270(19) 0.0185(4) Uani 1 1 d . . . . .
N6 N 0.83620(19) 0.75781(18) 0.29951(18) 0.0178(4) Uani 1 1 d . . . . .
C1 C 0.8124(2) 0.1966(2) 0.2655(2) 0.0175(4) Uani 1 1 d . . . . .
C2 C 0.8440(2) 0.2298(2) 0.1608(2) 0.0213(5) Uani 1 1 d . . . . .
C3 C 0.9599(3) 0.2124(2) 0.1308(2) 0.0249(5) Uani 1 1 d . . . . .
H3A H 0.979076 0.233697 0.059378 0.030 Uiso 1 1 calc R U . . .
C4 C 1.0475(2) 0.1649(2) 0.2020(2) 0.0230(5) Uani 1 1 d . . . . .
C5 C 1.0166(2) 0.1320(2) 0.3057(2) 0.0210(5) Uani 1 1 d . . . . .
H5 H 1.075097 0.098605 0.355959 0.025 Uiso 1 1 calc R U . . .
C6 C 0.9014(2) 0.1468(2) 0.3376(2) 0.0186(5) Uani 1 1 d . . . . .
C7 C 0.7536(3) 0.2839(3) 0.0791(2) 0.0305(6) Uani 1 1 d . . . . .
H7A H 0.790629 0.313406 0.013413 0.046 Uiso 1 1 calc R U . . .
H7B H 0.699697 0.341213 0.100374 0.046 Uiso 1 1 calc R U . . .
H7C H 0.711774 0.232274 0.070250 0.046 Uiso 1 1 calc R U . . .
C8 C 1.1728(3) 0.1527(3) 0.1686(3) 0.0350(7) Uani 1 1 d . . . . .
H8A H 1.178916 0.159165 0.094120 0.052 Uiso 1 1 calc R U . . .
H8B H 1.216442 0.082841 0.206497 0.052 Uiso 1 1 calc R U . . .
H8C H 1.204190 0.208144 0.183511 0.052 Uiso 1 1 calc R U . . .
C9 C 0.8735(3) 0.1038(3) 0.4504(2) 0.0269(6) Uani 1 1 d . . . . .
H9A H 0.810282 0.154501 0.471682 0.040 Uiso 1 1 calc R U . . .
H9B H 0.941602 0.092621 0.492014 0.040 Uiso 1 1 calc R U . . .
H9C H 0.850602 0.036118 0.460660 0.040 Uiso 1 1 calc R U . . .
C10 C 0.4236(3) 0.1339(2) 0.3767(3) 0.0279(6) Uani 1 1 d . . . . .
C11 C 0.3140(3) 0.1381(3) 0.4184(3) 0.0325(7) Uani 1 1 d . . . . .
H11 H 0.277811 0.080312 0.426198 0.039 Uiso 1 1 calc R U . . .
C12 C 0.2570(3) 0.2270(3) 0.4487(2) 0.0299(6) Uani 1 1 d . . . . .
H12 H 0.181939 0.230006 0.478266 0.036 Uiso 1 1 calc R U . . .
C13 C 0.3096(2) 0.3111(3) 0.4358(2) 0.0231(5) Uani 1 1 d . . . . .
H13 H 0.271813 0.372311 0.456800 0.028 Uiso 1 1 calc R U . . .
C14 C 0.4203(2) 0.3044(2) 0.3910(2) 0.0179(4) Uani 1 1 d . . . . .
C15 C 0.4880(3) 0.0401(3) 0.3412(4) 0.0448(10) Uani 1 1 d . . . . .
H15A H 0.515153 0.064357 0.269870 0.067 Uiso 1 1 calc R U . . .
H15B H 0.436927 -0.008240 0.344188 0.067 Uiso 1 1 calc R U . . .
H15C H 0.554131 0.002929 0.386327 0.067 Uiso 1 1 calc R U . . .
C16 C 0.4849(2) 0.4633(2) 0.3052(2) 0.0171(4) Uani 1 1 d . . . . .
C17 C 0.4139(2) 0.5019(2) 0.2049(2) 0.0203(5) Uani 1 1 d . . . . .
C18 C 0.3873(3) 0.4110(2) 0.1695(2) 0.0248(5) Uani 1 1 d . . . . .
H18A H 0.459139 0.360002 0.163987 0.037 Uiso 1 1 calc R U . . .
H18B H 0.349984 0.439552 0.101821 0.037 Uiso 1 1 calc R U . . .
H18C H 0.335860 0.375401 0.219969 0.037 Uiso 1 1 calc R U . . .
C19 C 0.3006(3) 0.5734(3) 0.2280(3) 0.0309(6) Uani 1 1 d . . . . .
H19A H 0.259437 0.532355 0.284578 0.046 Uiso 1 1 calc R U . . .
H19B H 0.252684 0.600580 0.165991 0.046 Uiso 1 1 calc R U . . .
H19C H 0.317337 0.633040 0.248218 0.046 Uiso 1 1 calc R U . . .
C20 C 0.4778(3) 0.5661(3) 0.1155(2) 0.0280(6) Uani 1 1 d . . . . .
H20A H 0.483887 0.631880 0.130494 0.042 Uiso 1 1 calc R U . . .
H20B H 0.435065 0.583336 0.051197 0.042 Uiso 1 1 calc R U . . .
H20C H 0.555050 0.524168 0.107764 0.042 Uiso 1 1 calc R U . . .
C21 C 0.6221(2) 0.5076(2) 0.4056(2) 0.0218(5) Uani 1 1 d . . . . .
H21A H 0.574041 0.488595 0.468226 0.026 Uiso 1 1 calc R U . . .
H21B H 0.644947 0.574044 0.404979 0.026 Uiso 1 1 calc R U . . .
C22 C 0.7297(2) 0.4201(2) 0.4128(2) 0.0207(5) Uani 1 1 d . . . . .
H22A H 0.773248 0.413797 0.474909 0.025 Uiso 1 1 calc R U . . .
H22B H 0.706673 0.352011 0.421627 0.025 Uiso 1 1 calc R U . . .
C23 C 0.8617(2) 0.5178(2) 0.2979(2) 0.0168(4) Uani 1 1 d . . . . .
C24 C 0.9332(2) 0.5239(2) 0.1973(2) 0.0219(5) Uani 1 1 d . . . . .
C25 C 1.0358(3) 0.4283(3) 0.2205(3) 0.0322(7) Uani 1 1 d . . . . .
H25A H 1.007487 0.362542 0.242231 0.048 Uiso 1 1 calc R U . . .
H25B H 1.081788 0.432465 0.276090 0.048 Uiso 1 1 calc R U . . .
H25C H 1.083717 0.428837 0.158131 0.048 Uiso 1 1 calc R U . . .
C26 C 0.8588(3) 0.5186(3) 0.1114(3) 0.0366(8) Uani 1 1 d . . . . .
H26A H 0.903315 0.525506 0.046671 0.055 Uiso 1 1 calc R U . . .
H26B H 0.790228 0.576523 0.101966 0.055 Uiso 1 1 calc R U . . .
H26C H 0.835414 0.450453 0.130867 0.055 Uiso 1 1 calc R U . . .
C27 C 0.9798(3) 0.6250(3) 0.1577(3) 0.0314(7) Uani 1 1 d . . . . .
H27A H 1.025437 0.632158 0.211920 0.047 Uiso 1 1 calc R U . . .
H27B H 0.915418 0.686602 0.139317 0.047 Uiso 1 1 calc R U . . .
H27C H 1.028484 0.620833 0.096464 0.047 Uiso 1 1 calc R U . . .
C28 C 0.8977(2) 0.6620(2) 0.3523(2) 0.0186(5) Uani 1 1 d . . . . .
C29 C 0.8783(2) 0.8461(2) 0.2889(2) 0.0209(5) Uani 1 1 d . . . . .
C30 C 0.9796(3) 0.8410(2) 0.3355(3) 0.0280(6) Uani 1 1 d . . . . .
H30 H 1.008211 0.903263 0.326858 0.034 Uiso 1 1 calc R U . . .
C31 C 1.0392(3) 0.7439(3) 0.3950(3) 0.0333(7) Uani 1 1 d . . . . .
H31 H 1.107515 0.739563 0.429516 0.040 Uiso 1 1 calc R U . . .
C32 C 0.9987(3) 0.6537(2) 0.4039(3) 0.0272(6) Uani 1 1 d . . . . .
H32 H 1.038647 0.586796 0.444508 0.033 Uiso 1 1 calc R U . . .
C33 C 0.8124(3) 0.9493(2) 0.2245(3) 0.0304(6) Uani 1 1 d . . . . .
H33A H 0.790148 0.939943 0.159643 0.046 Uiso 1 1 calc R U . . .
H33B H 0.860661 1.001817 0.209218 0.046 Uiso 1 1 calc R U . . .
H33C H 0.743192 0.974057 0.262382 0.046 Uiso 1 1 calc R U . . .
C34 C 0.5069(2) 0.8114(2) 0.1931(2) 0.0195(5) Uani 1 1 d . . . . .
C35 C 0.4118(2) 0.8139(2) 0.2626(2) 0.0210(5) Uani 1 1 d . . . . .
C36 C 0.2992(3) 0.8489(2) 0.2251(3) 0.0261(6) Uani 1 1 d . . . . .
H36 H 0.236774 0.850272 0.273089 0.031 Uiso 1 1 calc R U . . .
C37 C 0.2762(3) 0.8815(3) 0.1200(3) 0.0289(6) Uani 1 1 d . . . . .
C38 C 0.3697(3) 0.8788(3) 0.0518(3) 0.0276(6) Uani 1 1 d . . . . .
H38 H 0.355816 0.901066 -0.020498 0.033 Uiso 1 1 calc R U . . .
C39 C 0.4830(3) 0.8443(2) 0.0864(2) 0.0231(5) Uani 1 1 d . . . . .
C40 C 0.4282(3) 0.7760(3) 0.3779(2) 0.0259(6) Uani 1 1 d . . . . .
H40A H 0.366013 0.816486 0.411858 0.039 Uiso 1 1 calc R U . . .
H40B H 0.502409 0.786459 0.394892 0.039 Uiso 1 1 calc R U . . .
H40C H 0.426915 0.700504 0.402127 0.039 Uiso 1 1 calc R U . . .
C41 C 0.1534(3) 0.9165(4) 0.0818(3) 0.0431(9) Uani 1 1 d . . . . .
H41A H 0.107226 0.868493 0.124380 0.065 Uiso 1 1 calc R U . . .
H41B H 0.152336 0.914827 0.009519 0.065 Uiso 1 1 calc R U . . .
H41C H 0.121266 0.988876 0.086641 0.065 Uiso 1 1 calc R U . . .
C42 C 0.5785(3) 0.8423(3) 0.0069(3) 0.0343(7) Uani 1 1 d . . . . .
H42A H 0.618129 0.768669 0.012254 0.051 Uiso 1 1 calc R U . . .
H42B H 0.633427 0.881585 0.019296 0.051 Uiso 1 1 calc R U . . .
H42C H 0.546218 0.875342 -0.062479 0.051 Uiso 1 1 calc R 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 N1 2.102(2) . ?
Au1 C1 2.010(3) . ?
Au2 N6 2.111(2) . ?
Au2 C34 2.014(3) . ?
N1 C10 1.351(4) . ?
N1 C14 1.354(4) . ?
N2 C14 1.371(3) . ?
N2 C16 1.289(4) . ?
N3 H3 0.68(4) . ?
N3 C16 1.350(3) . ?
N3 C21 1.446(4) . ?
N4 H4 0.73(4) . ?
N4 C22 1.444(4) . ?
N4 C23 1.354(3) . ?
N5 C23 1.290(3) . ?
N5 C28 1.374(3) . ?
N6 C28 1.354(3) . ?
N6 C29 1.361(3) . ?
C1 C2 1.405(4) . ?
C1 C6 1.407(4) . ?
C2 C3 1.397(4) . ?
C2 C7 1.506(4) . ?
C3 H3A 0.9500 . ?
C3 C4 1.385(4) . ?
C4 C5 1.391(4) . ?
C4 C8 1.515(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.396(4) . ?
C6 C9 1.507(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.380(5) . ?
C10 C15 1.501(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.385(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.406(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.543(4) . ?
C17 C18 1.533(4) . ?
C17 C19 1.537(4) . ?
C17 C20 1.537(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.518(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.539(4) . ?
C24 C25 1.537(4) . ?
C24 C26 1.534(5) . ?
C24 C27 1.529(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C32 1.402(4) . ?
C29 C30 1.382(4) . ?
C29 C33 1.491(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.388(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.378(4) . ?
C32 H32 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.417(4) . ?
C34 C39 1.410(4) . ?
C35 C36 1.399(4) . ?
C35 C40 1.505(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.388(5) . ?
C37 C38 1.392(5) . ?
C37 C41 1.513(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.394(4) . ?
C39 C42 1.506(4) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 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
C1 Au1 N1 177.40(10) . . ?
C34 Au2 N6 173.35(10) . . ?
C10 N1 Au1 122.5(2) . . ?
C10 N1 C14 120.3(2) . . ?
C14 N1 Au1 117.24(17) . . ?
C16 N2 C14 128.6(2) . . ?
C16 N3 H3 117(4) . . ?
C16 N3 C21 123.8(3) . . ?
C21 N3 H3 120(4) . . ?
C22 N4 H4 117(3) . . ?
C23 N4 H4 120(3) . . ?
C23 N4 C22 123.1(2) . . ?
C23 N5 C28 127.5(2) . . ?
C28 N6 Au2 121.73(17) . . ?
C28 N6 C29 119.5(2) . . ?
C29 N6 Au2 118.56(18) . . ?
C2 C1 Au1 122.12(19) . . ?
C2 C1 C6 117.5(2) . . ?
C6 C1 Au1 120.3(2) . . ?
C1 C2 C7 120.6(3) . . ?
C3 C2 C1 120.5(3) . . ?
C3 C2 C7 118.9(3) . . ?
C2 C3 H3A 119.0 . . ?
C4 C3 C2 122.0(3) . . ?
C4 C3 H3A 119.0 . . ?
C3 C4 C5 117.6(3) . . ?
C3 C4 C8 121.2(3) . . ?
C5 C4 C8 121.1(3) . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.5(3) . . ?
C6 C5 H5 119.2 . . ?
C1 C6 C9 120.3(2) . . ?
C5 C6 C1 120.9(3) . . ?
C5 C6 C9 118.8(2) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 C11 120.9(3) . . ?
N1 C10 C15 117.5(3) . . ?
C11 C10 C15 121.6(3) . . ?
C10 C11 H11 120.2 . . ?
C10 C11 C12 119.6(3) . . ?
C12 C11 H11 120.2 . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.8(3) . . ?
C13 C12 H12 120.1 . . ?
C12 C13 H13 120.7 . . ?
C12 C13 C14 118.6(3) . . ?
C14 C13 H13 120.7 . . ?
N1 C14 N2 117.1(2) . . ?
N1 C14 C13 120.7(2) . . ?
N2 C14 C13 121.8(3) . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 N3 117.0(2) . . ?
N2 C16 C17 127.5(2) . . ?
N3 C16 C17 115.3(2) . . ?
C18 C17 C16 113.2(2) . . ?
C18 C17 C19 109.4(2) . . ?
C18 C17 C20 107.4(2) . . ?
C19 C17 C16 106.5(2) . . ?
C20 C17 C16 111.0(2) . . ?
C20 C17 C19 109.4(3) . . ?
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 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 H21A 108.8 . . ?
N3 C21 H21B 108.8 . . ?
N3 C21 C22 113.7(2) . . ?
H21A C21 H21B 107.7 . . ?
C22 C21 H21A 108.8 . . ?
C22 C21 H21B 108.8 . . ?
N4 C22 C21 113.4(2) . . ?
N4 C22 H22A 108.9 . . ?
N4 C22 H22B 108.9 . . ?
C21 C22 H22A 108.9 . . ?
C21 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
N4 C23 C24 114.2(2) . . ?
N5 C23 N4 116.4(2) . . ?
N5 C23 C24 129.4(2) . . ?
C25 C24 C23 106.7(2) . . ?
C26 C24 C23 109.4(2) . . ?
C26 C24 C25 110.6(3) . . ?
C27 C24 C23 114.3(2) . . ?
C27 C24 C25 108.4(3) . . ?
C27 C24 C26 107.4(3) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N5 C28 C32 120.2(2) . . ?
N6 C28 N5 118.6(2) . . ?
N6 C28 C32 120.8(2) . . ?
N6 C29 C30 121.4(3) . . ?
N6 C29 C33 118.2(3) . . ?
C30 C29 C33 120.5(3) . . ?
C29 C30 H30 120.4 . . ?
C29 C30 C31 119.2(3) . . ?
C31 C30 H30 120.4 . . ?
C30 C31 H31 120.2 . . ?
C32 C31 C30 119.7(3) . . ?
C32 C31 H31 120.2 . . ?
C28 C32 H32 120.4 . . ?
C31 C32 C28 119.2(3) . . ?
C31 C32 H32 120.4 . . ?
C29 C33 H33A 109.5 . . ?
C29 C33 H33B 109.5 . . ?
C29 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 Au2 121.2(2) . . ?
C39 C34 Au2 121.1(2) . . ?
C39 C34 C35 117.4(3) . . ?
C34 C35 C40 121.4(3) . . ?
C36 C35 C34 120.5(3) . . ?
C36 C35 C40 118.1(3) . . ?
C35 C36 H36 119.1 . . ?
C37 C36 C35 121.9(3) . . ?
C37 C36 H36 119.1 . . ?
C36 C37 C38 117.6(3) . . ?
C36 C37 C41 120.7(3) . . ?
C38 C37 C41 121.7(3) . . ?
C37 C38 H38 118.9 . . ?
C37 C38 C39 122.1(3) . . ?
C39 C38 H38 118.9 . . ?
C34 C39 C42 121.2(3) . . ?
C38 C39 C34 120.5(3) . . ?
C38 C39 C42 118.3(3) . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C37 C41 H41A 109.5 . . ?
C37 C41 H41B 109.5 . . ?
C37 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?

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 N1 C10 C11 175.7(2) . . . . ?
Au1 N1 C10 C15 -5.2(4) . . . . ?
Au1 N1 C14 N2 -1.3(3) . . . . ?
Au1 N1 C14 C13 -174.4(2) . . . . ?
Au1 C1 C2 C3 -174.9(2) . . . . ?
Au1 C1 C2 C7 4.5(4) . . . . ?
Au1 C1 C6 C5 176.1(2) . . . . ?
Au1 C1 C6 C9 -0.8(3) . . . . ?
Au2 N6 C28 N5 5.2(3) . . . . ?
Au2 N6 C28 C32 -168.6(2) . . . . ?
Au2 N6 C29 C30 171.1(2) . . . . ?
Au2 N6 C29 C33 -9.4(3) . . . . ?
Au2 C34 C35 C36 173.4(2) . . . . ?
Au2 C34 C35 C40 -8.6(4) . . . . ?
Au2 C34 C39 C38 -173.4(2) . . . . ?
Au2 C34 C39 C42 7.2(4) . . . . ?
N1 C10 C11 C12 0.0(5) . . . . ?
N2 C16 C17 C18 -33.3(4) . . . . ?
N2 C16 C17 C19 86.9(3) . . . . ?
N2 C16 C17 C20 -154.1(3) . . . . ?
N3 C16 C17 C18 150.9(3) . . . . ?
N3 C16 C17 C19 -88.8(3) . . . . ?
N3 C16 C17 C20 30.2(3) . . . . ?
N3 C21 C22 N4 56.4(3) . . . . ?
N4 C23 C24 C25 -71.0(3) . . . . ?
N4 C23 C24 C26 48.6(3) . . . . ?
N4 C23 C24 C27 169.2(3) . . . . ?
N5 C23 C24 C25 105.4(3) . . . . ?
N5 C23 C24 C26 -135.0(3) . . . . ?
N5 C23 C24 C27 -14.4(4) . . . . ?
N5 C28 C32 C31 -177.8(3) . . . . ?
N6 C28 C32 C31 -4.1(5) . . . . ?
N6 C29 C30 C31 -0.6(5) . . . . ?
C1 C2 C3 C4 -1.8(4) . . . . ?
C2 C1 C6 C5 0.3(4) . . . . ?
C2 C1 C6 C9 -176.6(3) . . . . ?
C2 C3 C4 C5 1.7(4) . . . . ?
C2 C3 C4 C8 -176.2(3) . . . . ?
C3 C4 C5 C6 -0.6(4) . . . . ?
C4 C5 C6 C1 -0.4(4) . . . . ?
C4 C5 C6 C9 176.6(3) . . . . ?
C6 C1 C2 C3 0.7(4) . . . . ?
C6 C1 C2 C7 -179.8(3) . . . . ?
C7 C2 C3 C4 178.8(3) . . . . ?
C8 C4 C5 C6 177.4(3) . . . . ?
C10 N1 C14 N2 176.8(3) . . . . ?
C10 N1 C14 C13 3.7(4) . . . . ?
C10 C11 C12 C13 0.8(5) . . . . ?
C11 C12 C13 C14 0.5(5) . . . . ?
C12 C13 C14 N1 -2.8(4) . . . . ?
C12 C13 C14 N2 -175.6(3) . . . . ?
C14 N1 C10 C11 -2.3(5) . . . . ?
C14 N1 C10 C15 176.8(3) . . . . ?
C14 N2 C16 N3 -178.6(3) . . . . ?
C14 N2 C16 C17 5.7(5) . . . . ?
C15 C10 C11 C12 -179.0(4) . . . . ?
C16 N2 C14 N1 94.0(3) . . . . ?
C16 N2 C14 C13 -93.0(4) . . . . ?
C16 N3 C21 C22 76.3(3) . . . . ?
C21 N3 C16 N2 0.3(4) . . . . ?
C21 N3 C16 C17 176.5(2) . . . . ?
C22 N4 C23 N5 4.9(4) . . . . ?
C22 N4 C23 C24 -178.2(2) . . . . ?
C23 N4 C22 C21 67.1(3) . . . . ?
C23 N5 C28 N6 84.5(4) . . . . ?
C23 N5 C28 C32 -101.7(4) . . . . ?
C28 N5 C23 N4 -176.0(3) . . . . ?
C28 N5 C23 C24 7.7(5) . . . . ?
C28 N6 C29 C30 -3.4(4) . . . . ?
C28 N6 C29 C33 176.0(3) . . . . ?
C29 N6 C28 N5 179.6(2) . . . . ?
C29 N6 C28 C32 5.8(4) . . . . ?
C29 C30 C31 C32 2.2(6) . . . . ?
C30 C31 C32 C28 0.1(6) . . . . ?
C33 C29 C30 C31 -180.0(3) . . . . ?
C34 C35 C36 C37 0.4(5) . . . . ?
C35 C34 C39 C38 0.6(4) . . . . ?
C35 C34 C39 C42 -178.8(3) . . . . ?
C35 C36 C37 C38 -0.2(5) . . . . ?
C35 C36 C37 C41 178.6(3) . . . . ?
C36 C37 C38 C39 0.3(5) . . . . ?
C37 C38 C39 C34 -0.5(5) . . . . ?
C37 C38 C39 C42 179.0(3) . . . . ?
C39 C34 C35 C36 -0.6(4) . . . . ?
C39 C34 C35 C40 177.4(3) . . . . ?
C40 C35 C36 C37 -177.7(3) . . . . ?
C41 C37 C38 C39 -178.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT411_out7a26_pl          
;
PROBLEM: Short Inter H...H Contact  H21A     ..H21A     .       1.91 Ang.  
RESPONSE: This hydrogen atom was removed and relocated from the 
difference Fourier maps and its bond distances were set riding 
with normalized distances.
;
