# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2154713'
loop_
_audit_author_name
_audit_author_address
'Ennio Zangrando'
;Department of Chemical and Pharmaceutical Sciences, University of Trieste
Italy
;
_audit_update_record             
;
2022-02-25 deposited with the CCDC.	2022-03-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H18 Ag2 Au2 N10'
_chemical_formula_sum            'C30 H18 Ag2 Au2 N10'
_chemical_formula_weight         1128.22

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'
Ag Ag -0.8971 1.1015 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

_cell_length_a                   12.0660(7)
_cell_length_b                   16.5009(8)
_cell_length_c                   7.4390(5)
_cell_angle_alpha                90
_cell_angle_beta                 100.028(6)
_cell_angle_gamma                90
_cell_volume                     1458.48(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    4721
_cell_measurement_theta_max      24.30
_cell_measurement_theta_min      3.64

_exptl_crystal_description       plate
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.569
_exptl_crystal_F_000             1040
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    11.392
_shelx_estimated_absorpt_T_min   0.070
_shelx_estimated_absorpt_T_max   0.198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51566
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'

_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37750
_diffrn_reflns_av_unetI/netI     0.0495
_diffrn_reflns_av_R_equivalents  0.0945
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         3.246
_diffrn_reflns_theta_max         30.507
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4451
_reflns_number_gt                3111
_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_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0305P)²+1.2565P] 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         4451
_refine_ls_number_parameters     199
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0453
_refine_ls_wR_factor_ref         0.0885
_refine_ls_wR_factor_gt          0.0788
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_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
Ag1 Ag 0.42437(4) -0.01418(3) 0.12946(8) 0.05047(14) Uani 1 1 d . . . . .
Au1 Au 0.83826(2) 0.05377(2) 0.33167(4) 0.04826(9) Uani 1 1 d . . . . .
N1 N 0.5942(5) -0.0058(3) 0.3325(9) 0.0573(15) Uani 1 1 d . . . . .
C1 C 0.6840(6) 0.0129(4) 0.3315(9) 0.0468(15) Uani 1 1 d . . . . .
N2 N 1.0776(6) 0.1258(4) 0.3425(10) 0.077(2) Uani 1 1 d . . . . .
C2 C 0.9909(6) 0.0983(4) 0.3375(10) 0.0553(17) Uani 1 1 d . . . . .
N3 N 0.2655(4) -0.0913(3) 0.1559(6) 0.0387(11) Uani 1 1 d . . . . .
N4 N 0.4460(4) -0.1479(2) 0.0157(6) 0.0326(10) Uani 1 1 d . . . . .
N5 N 0.6199(4) -0.1197(3) -0.0593(7) 0.0412(11) Uani 1 1 d . . . . .
C3 C 0.1720(6) -0.0622(4) 0.2035(9) 0.0501(16) Uani 1 1 d . . . . .
H3 H 0.173475 -0.009705 0.249523 0.060 Uiso 1 1 calc R U . . .
C4 C 0.0724(6) -0.1056(4) 0.1885(9) 0.0542(17) Uani 1 1 d . . . . .
H4 H 0.008281 -0.082395 0.220300 0.065 Uiso 1 1 calc R U . . .
C5 C 0.0710(6) -0.1834(4) 0.1259(10) 0.0565(18) Uani 1 1 d . . . . .
H5 H 0.005940 -0.214541 0.116238 0.068 Uiso 1 1 calc R U . . .
C6 C 0.1661(5) -0.2150(4) 0.0775(9) 0.0465(15) Uani 1 1 d . . . . .
H6 H 0.166414 -0.267931 0.034619 0.056 Uiso 1 1 calc R U . . .
C7 C 0.2630(5) -0.1675(3) 0.0925(7) 0.0363(12) Uani 1 1 d . . . . .
C8 C 0.3688(5) -0.2001(3) 0.0464(7) 0.0344(12) Uani 1 1 d . . . . .
C9 C 0.3863(5) -0.2851(3) 0.0409(8) 0.0398(14) Uani 1 1 d . . . . .
H9 H 0.330123 -0.320539 0.062256 0.048 Uiso 1 1 calc R U . . .
C10 C 0.4842(5) -0.3142(3) 0.0049(8) 0.0414(14) Uani 1 1 d . . . . .
H10 H 0.496101 -0.369807 0.001588 0.050 Uiso 1 1 calc R U . . .
C11 C 0.5687(5) -0.2599(3) -0.0279(7) 0.0367(13) Uani 1 1 d . . . . .
C12 C 0.6741(6) -0.2841(3) -0.0627(8) 0.0461(15) Uani 1 1 d . . . . .
H12 H 0.692316 -0.338800 -0.066090 0.055 Uiso 1 1 calc R U . . .
C13 C 0.7483(6) -0.2271(4) -0.0910(9) 0.0516(16) Uani 1 1 d . . . . .
H13 H 0.819600 -0.241822 -0.110685 0.062 Uiso 1 1 calc R U . . .
C14 C 0.7179(5) -0.1461(4) -0.0906(9) 0.0483(15) Uani 1 1 d . . . . .
H14 H 0.770197 -0.107847 -0.114019 0.058 Uiso 1 1 calc R U . . .
C15 C 0.5445(5) -0.1761(3) -0.0232(7) 0.0354(12) 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
Ag1 N5 2.311(4) 3_655 ?
Ag1 N1 2.329(6) . ?
Ag1 N3 2.337(5) . ?
Ag1 N4 2.393(4) . ?
Ag1 Ag1 2.9127(10) 3_655 ?
Au1 C2 1.976(8) . ?
Au1 C1 1.980(7) . ?
N1 C1 1.128(8) . ?
N2 C2 1.135(9) . ?
N3 C3 1.330(8) . ?
N3 C7 1.342(7) . ?
N4 C8 1.317(7) . ?
N4 C15 1.354(7) . ?
N5 C14 1.319(8) . ?
N5 C15 1.360(7) . ?
C3 C4 1.388(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.364(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.365(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.396(8) . ?
C6 H6 0.9300 . ?
C7 C8 1.480(8) . ?
C8 C9 1.420(7) . ?
C9 C10 1.345(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.409(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.399(9) . ?
C11 C15 1.416(7) . ?
C12 C13 1.340(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.386(8) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?

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
N5 Ag1 N1 103.42(18) 3_655 . ?
N5 Ag1 N3 112.25(17) 3_655 . ?
N1 Ag1 N3 128.30(19) . . ?
N5 Ag1 N4 146.75(16) 3_655 . ?
N1 Ag1 N4 98.44(17) . . ?
N3 Ag1 N4 70.71(16) . . ?
N5 Ag1 Ag1 81.01(12) 3_655 3_655 ?
N1 Ag1 Ag1 80.65(16) . 3_655 ?
N3 Ag1 Ag1 139.52(12) . 3_655 ?
N4 Ag1 Ag1 78.16(11) . 3_655 ?
C2 Au1 C1 177.7(3) . . ?
C1 N1 Ag1 138.6(6) . . ?
N1 C1 Au1 175.9(6) . . ?
N2 C2 Au1 178.2(7) . . ?
C3 N3 C7 117.6(5) . . ?
C3 N3 Ag1 124.9(4) . . ?
C7 N3 Ag1 116.7(4) . . ?
C8 N4 C15 119.0(5) . . ?
C8 N4 Ag1 114.7(4) . . ?
C15 N4 Ag1 123.1(3) . . ?
C14 N5 C15 117.4(5) . . ?
C14 N5 Ag1 117.1(4) . 3_655 ?
C15 N5 Ag1 124.2(4) . 3_655 ?
N3 C3 C4 123.7(6) . . ?
N3 C3 H3 118.1 . . ?
C4 C3 H3 118.1 . . ?
C5 C4 C3 118.2(6) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
C4 C5 C6 119.2(6) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C5 C6 C7 119.7(6) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
N3 C7 C6 121.5(6) . . ?
N3 C7 C8 117.0(5) . . ?
C6 C7 C8 121.5(5) . . ?
N4 C8 C9 121.9(5) . . ?
N4 C8 C7 117.9(5) . . ?
C9 C8 C7 120.2(5) . . ?
C10 C9 C8 119.9(5) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 119.6(5) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C12 C11 C10 124.0(5) . . ?
C12 C11 C15 118.7(5) . . ?
C10 C11 C15 117.3(5) . . ?
C13 C12 C11 118.8(5) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
C12 C13 C14 119.5(6) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
N5 C14 C13 124.3(6) . . ?
N5 C14 H14 117.8 . . ?
C13 C14 H14 117.8 . . ?
N4 C15 N5 116.7(5) . . ?
N4 C15 C11 122.2(5) . . ?
N5 C15 C11 121.1(5) . . ?

_refine_diff_density_max         1.387
_refine_diff_density_min         -0.814
_refine_diff_density_rms         0.148

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2154714'
loop_
_audit_author_name
_audit_author_address
'Ennio Zangrando'
;Department of Chemical and Pharmaceutical Sciences, University of Trieste
Italy
;
_audit_update_record             
;
2022-02-25 deposited with the CCDC.	2022-03-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C2 Au N2),(C26 H18 Ag2 N6)'
_chemical_formula_sum            'C30 H18 Ag2 Au2 N10'
_chemical_formula_weight         1128.22

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'
Ag Ag -0.8971 1.1015 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   7.2797(13)
_cell_length_b                   9.847(4)
_cell_length_c                   10.868(3)
_cell_angle_alpha                86.98(3)
_cell_angle_beta                 79.08(2)
_cell_angle_gamma                83.75(2)
_cell_volume                     760.0(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    354
_cell_measurement_theta_max      15.97
_cell_measurement_theta_min      4.27

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.465
_exptl_crystal_F_000             520
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    10.930
_shelx_estimated_absorpt_T_min   0.207
_shelx_estimated_absorpt_T_max   0.611
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.33890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6139
_diffrn_reflns_av_unetI/netI     0.3490
_diffrn_reflns_av_R_equivalents  0.1583
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         3.367
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             3091
_reflns_number_gt                1069
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0373P)²] 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         3091
_refine_ls_number_parameters     199
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.2697
_refine_ls_R_factor_gt           0.0972
_refine_ls_wR_factor_ref         0.2131
_refine_ls_wR_factor_gt          0.1507
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_restrained_S_all      0.930
_refine_ls_shift/su_max          0.000
_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 0.62175(18) 0.14934(14) 0.51212(13) 0.0637(5) Uani 1 1 d . . . . .
N1 N 0.598(4) 0.254(3) 0.779(3) 0.092(11) Uani 1 1 d . . . . .
N2 N 0.666(4) 0.089(3) 0.227(3) 0.085(10) Uani 1 1 d . . . . .
C1 C 0.608(5) 0.202(5) 0.676(3) 0.097(15) Uani 1 1 d . . . . .
C2 C 0.654(4) 0.105(3) 0.337(3) 0.061(9) Uani 1 1 d . . . . .
Ag1 Ag 1.0343(4) 0.0891(2) 0.5865(2) 0.0648(8) Uani 1 1 d . . . . .
N3 N 1.108(3) 0.293(2) 0.656(2) 0.054(7) Uani 1 1 d . . . . .
N4 N 1.152(3) 0.2171(19) 0.4219(16) 0.032(5) Uani 1 1 d . U . . .
N5 N 1.112(3) 0.058(2) 0.279(2) 0.060(7) Uani 1 1 d . . . . .
C3 C 1.098(5) 0.324(4) 0.774(4) 0.099(14) Uani 1 1 d . . . . .
H3 H 1.060633 0.259172 0.836579 0.119 Uiso 1 1 calc R U . . .
C4 C 1.140(4) 0.446(4) 0.807(2) 0.058(9) Uani 1 1 d . . . . .
H4 H 1.122313 0.461736 0.892055 0.070 Uiso 1 1 calc R U . . .
C5 C 1.200(4) 0.540(3) 0.734(3) 0.057(9) Uani 1 1 d . . . . .
H5 H 1.218883 0.624563 0.761141 0.069 Uiso 1 1 calc R U . . .
C6 C 1.238(4) 0.508(3) 0.603(3) 0.066(9) Uani 1 1 d . U . . .
H6 H 1.293293 0.567312 0.541024 0.079 Uiso 1 1 calc R U . . .
C7 C 1.185(4) 0.381(3) 0.573(2) 0.044(7) Uani 1 1 d . U . . .
C8 C 1.208(3) 0.340(3) 0.439(2) 0.039(7) Uani 1 1 d . U . . .
C9 C 1.287(4) 0.422(3) 0.335(3) 0.064(9) Uani 1 1 d . . . . .
H9 H 1.332241 0.502879 0.349696 0.077 Uiso 1 1 calc R U . . .
C10 C 1.299(4) 0.387(3) 0.218(3) 0.056(8) Uani 1 1 d . . . . .
H10 H 1.341301 0.447752 0.153206 0.067 Uiso 1 1 calc R U . . .
C11 C 1.251(4) 0.265(3) 0.190(3) 0.051(8) Uani 1 1 d . . . . .
C12 C 1.276(4) 0.215(3) 0.066(3) 0.064(9) Uani 1 1 d . . . . .
H12 H 1.325423 0.265814 -0.004471 0.077 Uiso 1 1 calc R U . . .
C13 C 1.223(4) 0.088(3) 0.057(3) 0.070(9) Uani 1 1 d . U . . .
H13 H 1.243795 0.050823 -0.021820 0.084 Uiso 1 1 calc R U . . .
C14 C 1.142(5) 0.014(4) 0.154(3) 0.089(12) Uani 1 1 d . . . . .
H14 H 1.104640 -0.069662 0.139901 0.107 Uiso 1 1 calc R U . . .
C15 C 1.175(4) 0.181(3) 0.296(3) 0.047(7) 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 1.87(4) . ?
Au1 C2 1.94(3) . ?
Au1 Ag1 3.241(3) . ?
Au1 Ag1 3.301(3) 2_756 ?
N1 C1 1.23(4) . ?
N2 C2 1.20(3) . ?
Ag1 N5 2.21(2) 2_756 ?
Ag1 N4 2.223(17) . ?
Ag1 N3 2.33(2) . ?
Ag1 Ag1 2.786(5) 2_756 ?
N3 C7 1.31(3) . ?
N3 C3 1.31(4) . ?
N4 C8 1.35(3) . ?
N4 C15 1.41(3) . ?
N5 C15 1.37(3) . ?
N5 C14 1.41(3) . ?
C3 C4 1.36(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.25(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.44(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.42(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.50(3) . ?
C8 C9 1.42(3) . ?
C9 C10 1.32(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.35(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.43(4) . ?
C11 C15 1.44(4) . ?
C12 C13 1.36(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.33(4) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?

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 C2 175.0(15) . . ?
C1 Au1 Ag1 70.8(11) . . ?
C2 Au1 Ag1 106.1(8) . . ?
C1 Au1 Ag1 114.9(13) . 2_756 ?
C2 Au1 Ag1 64.2(8) . 2_756 ?
Ag1 Au1 Ag1 50.39(8) . 2_756 ?
N1 C1 Au1 172(4) . . ?
N2 C2 Au1 174(3) . . ?
N5 Ag1 N4 167.7(8) 2_756 . ?
N5 Ag1 N3 120.2(9) 2_756 . ?
N4 Ag1 N3 70.9(8) . . ?
N5 Ag1 Ag1 82.0(7) 2_756 2_756 ?
N4 Ag1 Ag1 86.4(5) . 2_756 ?
N3 Ag1 Ag1 156.6(6) . 2_756 ?
N5 Ag1 Au1 82.0(6) 2_756 . ?
N4 Ag1 Au1 89.7(5) . . ?
N3 Ag1 Au1 107.2(6) . . ?
Ag1 Ag1 Au1 65.92(10) 2_756 . ?
N5 Ag1 Au1 91.1(6) 2_756 2_756 ?
N4 Ag1 Au1 87.2(5) . 2_756 ?
N3 Ag1 Au1 118.9(5) . 2_756 ?
Ag1 Ag1 Au1 63.69(10) 2_756 2_756 ?
Au1 Ag1 Au1 129.61(8) . 2_756 ?
C7 N3 C3 115(3) . . ?
C7 N3 Ag1 118(2) . . ?
C3 N3 Ag1 126(2) . . ?
C8 N4 C15 115(2) . . ?
C8 N4 Ag1 120.0(15) . . ?
C15 N4 Ag1 124.9(17) . . ?
C15 N5 C14 116(3) . . ?
C15 N5 Ag1 132(2) . 2_756 ?
C14 N5 Ag1 112(2) . 2_756 ?
N3 C3 C4 122(4) . . ?
N3 C3 H3 118.8 . . ?
C4 C3 H3 118.8 . . ?
C5 C4 C3 126(3) . . ?
C5 C4 H4 116.9 . . ?
C3 C4 H4 116.9 . . ?
C4 C5 C6 115(3) . . ?
C4 C5 H5 122.6 . . ?
C6 C5 H5 122.6 . . ?
C7 C6 C5 117(3) . . ?
C7 C6 H6 121.7 . . ?
C5 C6 H6 121.7 . . ?
N3 C7 C6 124(3) . . ?
N3 C7 C8 115(3) . . ?
C6 C7 C8 121(2) . . ?
N4 C8 C9 121(2) . . ?
N4 C8 C7 116(2) . . ?
C9 C8 C7 124(3) . . ?
C10 C9 C8 123(3) . . ?
C10 C9 H9 118.7 . . ?
C8 C9 H9 118.7 . . ?
C9 C10 C11 122(3) . . ?
C9 C10 H10 119.1 . . ?
C11 C10 H10 119.1 . . ?
C10 C11 C12 125(3) . . ?
C10 C11 C15 115(3) . . ?
C12 C11 C15 120(3) . . ?
C13 C12 C11 116(3) . . ?
C13 C12 H12 121.9 . . ?
C11 C12 H12 121.9 . . ?
C14 C13 C12 124(3) . . ?
C14 C13 H13 118.0 . . ?
C12 C13 H13 118.0 . . ?
C13 C14 N5 123(3) . . ?
C13 C14 H14 118.6 . . ?
N5 C14 H14 118.6 . . ?
N5 C15 N4 115(2) . . ?
N5 C15 C11 120(3) . . ?
N4 C15 C11 125(3) . . ?

_refine_diff_density_max         1.359
_refine_diff_density_min         -1.830
_refine_diff_density_rms         0.255



####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2154712'
loop_
_audit_author_name
_audit_author_address
'Ennio Zangrando'
;Department of Chemical and Pharmaceutical Sciences, University of Trieste
Italy
;
_audit_update_record             
;
2022-02-25 deposited with the CCDC.	2022-03-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H22 Ag2 Au N8, C2 Au N2'
_chemical_formula_sum            'C34 H22 Ag2 Au2 N10'
_chemical_formula_weight         1180.29

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'
Ag Ag -0.8971 1.1015 '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'

_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                   6.8295(5)
_cell_length_b                   16.5330(10)
_cell_length_c                   14.7584(8)
_cell_angle_alpha                90
_cell_angle_beta                 101.314(6)
_cell_angle_gamma                90
_cell_volume                     1634.02(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    4480
_cell_measurement_theta_max      25.75
_cell_measurement_theta_min      3.63

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.399
_exptl_crystal_F_000             1096
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    10.174
_shelx_estimated_absorpt_T_min   0.311
_shelx_estimated_absorpt_T_max   0.461
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60846
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur,AtlasS2,Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28212
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_av_R_equivalents  0.0737
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.282
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3343
_reflns_number_gt                2264
_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_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0318P)²] 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         3343
_refine_ls_number_parameters     220
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0304
_refine_ls_wR_factor_ref         0.0747
_refine_ls_wR_factor_gt          0.0649
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_restrained_S_all      0.983
_refine_ls_shift/su_max          0.000
_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
Ag1 Ag -0.19831(7) 0.03444(3) -0.35773(3) 0.05627(15) Uani 1 1 d . . . . .
Au1 Au 0.000000 0.000000 0.000000 0.05079(12) Uani 1 2 d S . P . .
Au2 Au -0.500000 0.000000 0.000000 0.06225(13) Uani 1 2 d S . P . .
N1 N -0.1359(7) 0.0452(3) -0.2078(3) 0.0619(14) Uani 1 1 d . . . . .
C1 C -0.0863(9) 0.0293(4) -0.1325(4) 0.0544(14) Uani 1 1 d . . . . .
N2 N -0.6051(10) -0.1439(4) -0.1382(4) 0.0868(19) Uani 1 1 d . . . . .
C2 C -0.5664(10) -0.0908(5) -0.0881(4) 0.0704(19) Uani 1 1 d . . . . .
N3 N -0.1352(6) -0.1131(3) -0.3619(3) 0.0507(12) Uani 1 1 d . . . . .
N4 N -0.2525(5) -0.0181(3) -0.5113(3) 0.0389(11) Uani 1 1 d . . . . .
N5 N -0.2776(6) 0.1401(3) -0.4670(3) 0.0482(11) Uani 1 1 d . . . . .
C3 C -0.0869(9) -0.1599(4) -0.2881(4) 0.0624(17) Uani 1 1 d . . . . .
H3 H -0.063633 -0.135143 -0.230389 0.075 Uiso 1 1 calc R U . . .
C4 C -0.0690(9) -0.2422(4) -0.2912(4) 0.0664(18) Uani 1 1 d . . . . .
H4 H -0.035732 -0.272298 -0.237100 0.080 Uiso 1 1 calc R U . . .
C5 C -0.1013(9) -0.2791(4) -0.3758(5) 0.0622(17) Uani 1 1 d . . . . .
H5 H -0.090407 -0.334944 -0.380552 0.075 Uiso 1 1 calc R U . . .
C6 C -0.1497(8) -0.2323(4) -0.4533(4) 0.0532(15) Uani 1 1 d . . . . .
H6 H -0.171560 -0.256227 -0.511417 0.064 Uiso 1 1 calc R U . . .
C7 C -0.1663(7) -0.1494(3) -0.4453(4) 0.0423(13) Uani 1 1 d . . . . .
C8 C -0.2206(7) -0.0956(3) -0.5275(3) 0.0382(12) Uani 1 1 d . . . . .
C9 C -0.2349(8) -0.1247(4) -0.6172(4) 0.0525(15) Uani 1 1 d . . . . .
H9 H -0.206180 -0.178392 -0.628020 0.063 Uiso 1 1 calc R U . . .
C10 C -0.2924(9) -0.0720(4) -0.6885(4) 0.0597(16) Uani 1 1 d . . . . .
H10 H -0.309778 -0.090186 -0.749227 0.072 Uiso 1 1 calc R U . . .
C11 C -0.3245(9) 0.0072(4) -0.6710(4) 0.0584(17) Uani 1 1 d . . . . .
H11 H -0.361671 0.042910 -0.720017 0.070 Uiso 1 1 calc R U . . .
C12 C -0.3026(7) 0.0352(4) -0.5819(3) 0.0394(11) Uani 1 1 d . . . . .
C13 C -0.3233(7) 0.1212(4) -0.5568(4) 0.0424(13) Uani 1 1 d . . . . .
C14 C -0.3801(8) 0.1795(4) -0.6247(4) 0.0527(15) Uani 1 1 d . . . . .
H14 H -0.410736 0.165072 -0.686773 0.063 Uiso 1 1 calc R U . . .
C15 C -0.3904(8) 0.2589(4) -0.5984(5) 0.0674(19) Uani 1 1 d . . . . .
H15 H -0.430855 0.298741 -0.642658 0.081 Uiso 1 1 calc R U . . .
C16 C -0.3409(9) 0.2791(4) -0.5072(5) 0.0635(17) Uani 1 1 d . . . . .
H16 H -0.343743 0.332651 -0.488275 0.076 Uiso 1 1 calc R U . . .
C17 C -0.2865(8) 0.2178(4) -0.4438(4) 0.0575(16) Uani 1 1 d . . . . .
H17 H -0.254412 0.231398 -0.381452 0.069 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
Ag1 N1 2.178(4) . ?
Ag1 N5 2.368(5) . ?
Ag1 N4 2.387(4) . ?
Ag1 N3 2.480(5) . ?
Au1 C1 1.989(6) 3 ?
Au1 C1 1.989(6) . ?
Au2 C2 1.979(8) 3_455 ?
Au2 C2 1.979(8) . ?
N1 C1 1.126(7) . ?
N2 C2 1.144(9) . ?
N3 C3 1.323(7) . ?
N3 C7 1.348(6) . ?
N4 C8 1.330(7) . ?
N4 C12 1.356(6) . ?
N5 C17 1.334(7) . ?
N5 C13 1.338(7) . ?
C3 C4 1.368(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.369(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.366(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.383(8) . ?
C6 H6 0.9300 . ?
C7 C8 1.492(7) . ?
C8 C9 1.393(7) . ?
C9 C10 1.364(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.360(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.374(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.483(8) . ?
C13 C14 1.390(7) . ?
C14 C15 1.375(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.363(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.380(8) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?

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
N1 Ag1 N5 127.24(18) . . ?
N1 Ag1 N4 163.28(18) . . ?
N5 Ag1 N4 69.48(15) . . ?
N1 Ag1 N3 96.04(17) . . ?
N5 Ag1 N3 136.62(15) . . ?
N4 Ag1 N3 67.30(14) . . ?
C1 Au1 C1 180.0 3 . ?
C2 Au2 C2 180.0(3) 3_455 . ?
C1 N1 Ag1 160.7(5) . . ?
N1 C1 Au1 179.4(6) . . ?
N2 C2 Au2 179.2(6) . . ?
C3 N3 C7 117.4(5) . . ?
C3 N3 Ag1 124.8(4) . . ?
C7 N3 Ag1 117.6(4) . . ?
C8 N4 C12 120.9(5) . . ?
C8 N4 Ag1 121.4(3) . . ?
C12 N4 Ag1 117.5(4) . . ?
C17 N5 C13 117.9(5) . . ?
C17 N5 Ag1 123.4(4) . . ?
C13 N5 Ag1 118.7(4) . . ?
N3 C3 C4 124.3(6) . . ?
N3 C3 H3 117.8 . . ?
C4 C3 H3 117.8 . . ?
C3 C4 C5 118.3(6) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
C6 C5 C4 118.7(6) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C5 C6 C7 120.1(6) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
N3 C7 C6 121.2(5) . . ?
N3 C7 C8 116.6(5) . . ?
C6 C7 C8 122.2(5) . . ?
N4 C8 C9 121.4(5) . . ?
N4 C8 C7 116.8(4) . . ?
C9 C8 C7 121.8(5) . . ?
C10 C9 C8 118.0(6) . . ?
C10 C9 H9 121.0 . . ?
C8 C9 H9 121.0 . . ?
C11 C10 C9 120.0(6) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 121.0(6) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
N4 C12 C11 118.7(6) . . ?
N4 C12 C13 116.9(5) . . ?
C11 C12 C13 124.3(5) . . ?
N5 C13 C14 121.9(5) . . ?
N5 C13 C12 117.2(5) . . ?
C14 C13 C12 120.8(5) . . ?
C15 C14 C13 118.8(6) . . ?
C15 C14 H14 120.6 . . ?
C13 C14 H14 120.6 . . ?
C16 C15 C14 119.7(6) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 118.2(6) . . ?
C15 C16 H16 120.9 . . ?
C17 C16 H16 120.9 . . ?
N5 C17 C16 123.5(6) . . ?
N5 C17 H17 118.3 . . ?
C16 C17 H17 118.3 . . ?

_refine_diff_density_max         0.695
_refine_diff_density_min         -0.421
_refine_diff_density_rms         0.106

####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2154711'
loop_
_audit_author_name
_audit_author_address
'Ennio Zangrando'
;Department of Chemical and Pharmaceutical Sciences, University of Trieste
Italy
;
_audit_update_record             
;
2022-02-25 deposited with the CCDC.	2022-03-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C43 H27 Ag4 Au4 N15'
_chemical_formula_sum            'C43 H27 Ag4 Au4 N15'
_chemical_formula_weight         1973.14

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'
Ag Ag -0.8971 1.1015 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   11.3724(8)
_cell_length_b                   14.8294(10)
_cell_length_c                   16.3394(11)
_cell_angle_alpha                116.322(7)
_cell_angle_beta                 95.174(5)
_cell_angle_gamma                101.927(6)
_cell_volume                     2364.0(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    4029
_cell_measurement_theta_max      24.83
_cell_measurement_theta_min      3.75

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.772
_exptl_crystal_F_000             1788
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    14.031
_shelx_estimated_absorpt_T_min   0.227
_shelx_estimated_absorpt_T_max   0.334
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50193
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini ultra'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21036
_diffrn_reflns_av_unetI/netI     0.0870
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.221
_diffrn_reflns_theta_max         26.369
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9662
_reflns_number_gt                5331
_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_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0324P)²+4.9520P] 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         9662
_refine_ls_number_parameters     595
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1358
_refine_ls_R_factor_gt           0.0644
_refine_ls_wR_factor_ref         0.1271
_refine_ls_wR_factor_gt          0.1041
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_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
Ag1 Ag 0.54336(13) 0.81021(10) 0.07292(8) 0.0710(4) Uani 1 1 d . . . . .
Ag2 Ag -0.03343(12) 0.67960(10) -0.07171(8) 0.0723(4) Uani 1 1 d . . . . .
Ag3 Ag 0.74684(12) 0.86997(10) 0.44394(8) 0.0706(4) Uani 1 1 d . . . . .
Ag4 Ag 0.26108(15) 1.35489(11) 0.43614(9) 0.0832(5) Uani 1 1 d . . . . .
Au1 Au 0.32615(6) 1.09046(5) 0.07422(4) 0.0598(2) Uani 1 1 d . . . . .
Au2 Au 0.35207(6) 0.76596(5) 0.19017(4) 0.05499(18) Uani 1 1 d . . . . .
Au3 Au 0.15505(6) 0.72997(5) 0.30944(4) 0.05912(19) Uani 1 1 d . . . . .
Au4 Au 1.03139(6) 0.63333(5) 0.44725(4) 0.0626(2) Uani 1 1 d . . . . .
N1 N 0.4651(12) 0.9378(11) 0.0940(8) 0.068(4) Uani 1 1 d . . . . .
N2 N 0.1675(13) 1.2293(11) 0.0591(9) 0.076(4) Uani 1 1 d . . . . .
N3 N 0.5788(14) 0.8165(12) 0.3389(9) 0.083(5) Uani 1 1 d . . . . .
N4 N 0.1234(13) 0.7171(11) 0.0432(9) 0.073(4) Uani 1 1 d . . . . .
N5 N 0.2135(14) 0.9671(12) 0.4475(9) 0.081(4) Uani 1 1 d . . . . .
N6 N 0.0919(15) 0.4940(11) 0.1705(9) 0.087(5) Uani 1 1 d . . . . .
N7 N 1.1849(12) 0.4774(12) 0.4518(7) 0.069(4) Uani 1 1 d . . . . .
N8 N 0.8628(12) 0.7759(11) 0.4462(8) 0.069(4) Uani 1 1 d . . . . .
N9 N 0.1025(13) 0.7217(11) -0.1624(9) 0.073(4) Uani 1 1 d . . . . .
N10 N 0.7284(11) 0.9004(10) 0.1978(7) 0.065(4) Uani 1 1 d . . . . .
N11 N 0.6674(12) 0.7013(9) 0.0696(7) 0.052(3) Uani 1 1 d . . . . .
N12 N 0.4602(12) 0.6403(9) -0.0562(8) 0.063(3) Uani 1 1 d . . . . .
N13 N 0.4387(14) 1.4469(11) 0.5661(8) 0.082(4) Uani 1 1 d . . . . .
N14 N 0.3911(12) 1.2440(10) 0.4394(8) 0.058(3) Uani 1 1 d . . . . .
N15 N 0.1860(13) 1.1839(10) 0.3069(8) 0.071(4) Uani 1 1 d . . . . .
C1 C 0.4164(13) 0.9925(12) 0.0862(8) 0.052(4) Uani 1 1 d . . . . .
C2 C 0.2254(15) 1.1791(12) 0.0612(9) 0.058(4) Uani 1 1 d . . . . .
C3 C 0.4945(15) 0.7988(12) 0.2829(10) 0.062(4) Uani 1 1 d . . . . .
C4 C 0.2057(15) 0.7332(12) 0.0961(10) 0.064(4) Uani 1 1 d . . . . .
C5 C 0.1933(16) 0.8822(14) 0.3969(11) 0.067(5) Uani 1 1 d . . . . .
C6 C 0.1104(14) 0.5777(13) 0.2198(9) 0.058(4) Uani 1 1 d . . . . .
C7 C 1.1281(16) 0.5387(11) 0.4498(9) 0.060(5) Uani 1 1 d . . . . .
C8 C 0.9211(17) 0.7231(13) 0.4473(10) 0.066(5) Uani 1 1 d . . . . .
C9 C 0.1964(19) 0.8070(15) -0.1214(13) 0.085(6) Uani 1 1 d . . . . .
H9 H 0.200963 0.853454 -0.059205 0.102 Uiso 1 1 calc R U . . .
C10 C 0.285(2) 0.832(2) -0.1624(17) 0.116(8) Uani 1 1 d . . . . .
H10 H 0.347857 0.893694 -0.129971 0.140 Uiso 1 1 calc R U . . .
C11 C 0.282(3) 0.762(2) -0.255(2) 0.127(10) Uani 1 1 d . . . . .
H11 H 0.341124 0.776008 -0.285893 0.152 Uiso 1 1 calc R U . . .
C12 C 0.187(3) 0.671(2) -0.2978(15) 0.120(9) Uani 1 1 d . . . . .
H12 H 0.181960 0.622561 -0.359446 0.144 Uiso 1 1 calc R U . . .
C13 C 0.1017(19) 0.6527(14) -0.2509(11) 0.083(6) Uani 1 1 d . . . . .
H13 H 0.039770 0.589988 -0.280781 0.099 Uiso 1 1 calc R U . . .
C14 C 0.3509(18) 0.6112(15) -0.1133(11) 0.089(6) Uani 1 1 d . . . . .
H14 H 0.305924 0.659794 -0.101113 0.107 Uiso 1 1 calc R U . . .
C15 C 0.3014(17) 0.5112(15) -0.1901(12) 0.088(6) Uani 1 1 d . . . . .
H15 H 0.225560 0.491584 -0.228898 0.106 Uiso 1 1 calc R U . . .
C16 C 0.374(3) 0.4448(15) -0.2033(13) 0.098(8) Uani 1 1 d . . . . .
H16 H 0.349385 0.379055 -0.255650 0.118 Uiso 1 1 calc R U . . .
C17 C 0.475(2) 0.4689(13) -0.1473(13) 0.078(6) Uani 1 1 d . . . . .
H17 H 0.517115 0.419066 -0.156413 0.094 Uiso 1 1 calc R U . . .
C18 C 0.5214(15) 0.5704(12) -0.0716(9) 0.058(4) Uani 1 1 d . . . . .
C19 C 0.6372(16) 0.6010(12) -0.0059(10) 0.064(5) Uani 1 1 d . . . . .
C20 C 0.7140(17) 0.5379(14) -0.0175(11) 0.075(5) Uani 1 1 d . . . . .
H20 H 0.691813 0.470792 -0.067935 0.090 Uiso 1 1 calc R U . . .
C21 C 0.8291(19) 0.5749(17) 0.0480(13) 0.092(6) Uani 1 1 d . . . . .
H21 H 0.883061 0.533827 0.041067 0.111 Uiso 1 1 calc R U . . .
C22 C 0.8540(17) 0.6741(15) 0.1211(11) 0.082(6) Uani 1 1 d . . . . .
H22 H 0.926639 0.702456 0.165568 0.099 Uiso 1 1 calc R U . . .
C23 C 0.7703(17) 0.7324(13) 0.1286(11) 0.065(5) Uani 1 1 d . . . . .
C24 C 0.8018(15) 0.8440(14) 0.2080(10) 0.066(5) Uani 1 1 d . . . . .
C25 C 0.8940(14) 0.8848(16) 0.2870(12) 0.073(5) Uani 1 1 d . . . . .
H25 H 0.940813 0.843077 0.293869 0.088 Uiso 1 1 calc R U . . .
C26 C 0.9156(17) 0.9851(18) 0.3536(12) 0.086(6) Uani 1 1 d . . . . .
H26 H 0.981328 1.014287 0.404076 0.103 Uiso 1 1 calc R U . . .
C27 C 0.839(2) 1.0456(16) 0.3466(11) 0.094(6) Uani 1 1 d . . . . .
H27 H 0.848924 1.113735 0.392898 0.113 Uiso 1 1 calc R U . . .
C28 C 0.7451(18) 0.9974(16) 0.2658(12) 0.089(6) Uani 1 1 d . . . . .
H28 H 0.692316 1.035267 0.259542 0.106 Uiso 1 1 calc R U . . .
C29 C 0.463(2) 1.5483(16) 0.6281(13) 0.094(6) Uani 1 1 d . . . . .
H29 H 0.411574 1.585321 0.618659 0.113 Uiso 1 1 calc R U . . .
C30 C 0.556(3) 1.601(2) 0.7021(15) 0.120(8) Uani 1 1 d . . . . .
H30 H 0.570045 1.671851 0.742984 0.143 Uiso 1 1 calc R U . . .
C31 C 0.629(2) 1.545(2) 0.7137(13) 0.101(7) Uani 1 1 d . . . . .
H31 H 0.692815 1.578711 0.765616 0.121 Uiso 1 1 calc R U . . .
C32 C 0.6155(16) 1.4421(17) 0.6560(12) 0.077(5) Uani 1 1 d . . . . .
H32 H 0.667299 1.405768 0.666737 0.093 Uiso 1 1 calc R U . . .
C33 C 0.5181(16) 1.3952(14) 0.5789(10) 0.070(5) Uani 1 1 d . . . . .
C34 C 0.4896(16) 1.2857(13) 0.5038(10) 0.063(4) Uani 1 1 d . . . . .
C35 C 0.5731(15) 1.2226(16) 0.4988(12) 0.081(6) Uani 1 1 d . . . . .
H35 H 0.648362 1.252750 0.540721 0.098 Uiso 1 1 calc R U . . .
C36 C 0.543(2) 1.1188(16) 0.4330(14) 0.105(7) Uani 1 1 d . . . . .
H36 H 0.588036 1.074226 0.435659 0.126 Uiso 1 1 calc R U . . .
C37 C 0.4377(18) 1.0832(14) 0.3604(12) 0.090(6) Uani 1 1 d . . . . .
H37 H 0.423087 1.018434 0.307754 0.108 Uiso 1 1 calc R U . . .
C38 C 0.3564(16) 1.1443(13) 0.3672(10) 0.063(5) Uani 1 1 d . . . . .
C39 C 0.2432(15) 1.1090(12) 0.3007(10) 0.059(4) Uani 1 1 d . . . . .
C40 C 0.193(2) 1.0061(15) 0.2331(14) 0.084(6) Uani 1 1 d . . . . .
H40 H 0.232100 0.956633 0.232562 0.100 Uiso 1 1 calc R U . . .
C41 C 0.093(2) 0.9744(14) 0.1693(13) 0.093(7) Uani 1 1 d . . . . .
H41 H 0.061941 0.905251 0.122783 0.112 Uiso 1 1 calc R U . . .
C42 C 0.0335(19) 1.0548(17) 0.1764(12) 0.100(7) Uani 1 1 d . . . . .
H42 H -0.038934 1.037199 0.134632 0.120 Uiso 1 1 calc R U . . .
C43 C 0.0838(18) 1.1560(15) 0.2443(11) 0.090(6) Uani 1 1 d . . . . .
H43 H 0.045893 1.206849 0.246873 0.108 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
Ag1 N1 2.160(13) . ?
Ag1 N11 2.341(10) . ?
Ag1 N12 2.374(12) . ?
Ag1 N10 2.454(12) . ?
Ag1 Au2 3.1796(16) . ?
Ag2 N2 2.204(12) 2_575 ?
Ag2 N4 2.252(13) . ?
Ag2 N6 2.256(14) 2_565 ?
Ag2 N9 2.411(15) . ?
Ag3 N8 2.118(12) . ?
Ag3 N5 2.190(14) 2_676 ?
Ag3 N3 2.191(14) . ?
Ag4 N7 2.097(15) 1_465 ?
Ag4 N15 2.376(12) . ?
Ag4 N14 2.441(12) . ?
Ag4 N13 2.443(14) . ?
Au1 C2 1.979(14) . ?
Au1 C1 2.009(14) . ?
Au2 C3 1.933(15) . ?
Au2 C4 1.978(16) . ?
Au2 Au3 3.2122(9) . ?
Au3 C5 1.987(18) . ?
Au3 C6 1.991(16) . ?
Au4 C7 1.965(14) . ?
Au4 C8 2.009(17) . ?
N1 C1 1.115(15) . ?
N2 C2 1.099(15) . ?
N3 C3 1.161(17) . ?
N4 C4 1.123(16) . ?
N5 C5 1.115(19) . ?
N6 C6 1.099(18) . ?
N7 C7 1.229(17) . ?
N8 C8 1.130(17) . ?
N9 C9 1.32(2) . ?
N9 C13 1.349(18) . ?
N10 C28 1.33(2) . ?
N10 C24 1.347(16) . ?
N11 C23 1.300(18) . ?
N11 C19 1.392(17) . ?
N12 C18 1.312(17) . ?
N12 C14 1.35(2) . ?
N13 C29 1.34(2) . ?
N13 C33 1.357(19) . ?
N14 C34 1.293(18) . ?
N14 C38 1.364(18) . ?
N15 C43 1.334(19) . ?
N15 C39 1.371(17) . ?
C9 C10 1.34(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.39(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.37(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.35(3) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.40(2) . ?
C14 H14 0.9300 . ?
C15 C16 1.37(2) . ?
C15 H15 0.9300 . ?
C16 C17 1.27(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.41(2) . ?
C17 H17 0.9300 . ?
C18 C19 1.47(2) . ?
C19 C20 1.37(2) . ?
C20 C21 1.45(2) . ?
C20 H20 0.9300 . ?
C21 C22 1.37(2) . ?
C21 H21 0.9300 . ?
C22 C23 1.391(19) . ?
C22 H22 0.9300 . ?
C23 C24 1.52(2) . ?
C24 C25 1.39(2) . ?
C25 C26 1.35(2) . ?
C25 H25 0.9300 . ?
C26 C27 1.41(2) . ?
C26 H26 0.9300 . ?
C27 C28 1.41(2) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.33(3) . ?
C29 H29 0.9300 . ?
C30 C31 1.35(3) . ?
C30 H30 0.9300 . ?
C31 C32 1.35(3) . ?
C31 H31 0.9300 . ?
C32 C33 1.40(2) . ?
C32 H32 0.9300 . ?
C33 C34 1.48(2) . ?
C34 C35 1.45(2) . ?
C35 C36 1.38(2) . ?
C35 H35 0.9300 . ?
C36 C37 1.43(2) . ?
C36 H36 0.9300 . ?
C37 C38 1.402(19) . ?
C37 H37 0.9300 . ?
C38 C39 1.44(2) . ?
C39 C40 1.38(2) . ?
C40 C41 1.32(2) . ?
C40 H40 0.9300 . ?
C41 C42 1.45(3) . ?
C41 H41 0.9300 . ?
C42 C43 1.37(2) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?

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
N1 Ag1 N11 167.5(5) . . ?
N1 Ag1 N12 122.2(4) . . ?
N11 Ag1 N12 69.3(4) . . ?
N1 Ag1 N10 101.3(4) . . ?
N11 Ag1 N10 66.9(4) . . ?
N12 Ag1 N10 136.2(4) . . ?
N1 Ag1 Au2 83.3(4) . . ?
N11 Ag1 Au2 102.0(3) . . ?
N12 Ag1 Au2 92.4(3) . . ?
N10 Ag1 Au2 98.6(3) . . ?
N2 Ag2 N4 125.1(5) 2_575 . ?
N2 Ag2 N6 119.3(5) 2_575 2_565 ?
N4 Ag2 N6 109.7(5) . 2_565 ?
N2 Ag2 N9 105.9(5) 2_575 . ?
N4 Ag2 N9 92.8(5) . . ?
N6 Ag2 N9 94.7(5) 2_565 . ?
N8 Ag3 N5 121.1(5) . 2_676 ?
N8 Ag3 N3 124.8(5) . . ?
N5 Ag3 N3 114.1(5) 2_676 . ?
N7 Ag4 N15 122.8(4) 1_465 . ?
N7 Ag4 N14 167.2(5) 1_465 . ?
N15 Ag4 N14 68.9(4) . . ?
N7 Ag4 N13 101.1(5) 1_465 . ?
N15 Ag4 N13 135.7(5) . . ?
N14 Ag4 N13 66.8(4) . . ?
C2 Au1 C1 175.6(7) . . ?
C3 Au2 C4 179.5(6) . . ?
C3 Au2 Ag1 85.7(5) . . ?
C4 Au2 Ag1 94.6(5) . . ?
C3 Au2 Au3 95.3(5) . . ?
C4 Au2 Au3 84.4(5) . . ?
Ag1 Au2 Au3 177.50(3) . . ?
C5 Au3 C6 177.8(6) . . ?
C5 Au3 Au2 92.7(5) . . ?
C6 Au3 Au2 88.1(4) . . ?
C7 Au4 C8 175.1(7) . . ?
C1 N1 Ag1 166.1(12) . . ?
C2 N2 Ag2 169.3(14) . 2_575 ?
C3 N3 Ag3 172.2(15) . . ?
C4 N4 Ag2 175.5(13) . . ?
C5 N5 Ag3 175.2(15) . 2_676 ?
C6 N6 Ag2 174.0(15) . 2_565 ?
C7 N7 Ag4 170.9(12) . 1_645 ?
C8 N8 Ag3 177.5(15) . . ?
C9 N9 C13 116.3(17) . . ?
C9 N9 Ag2 120.1(13) . . ?
C13 N9 Ag2 122.5(14) . . ?
C28 N10 C24 118.5(14) . . ?
C28 N10 Ag1 121.5(11) . . ?
C24 N10 Ag1 118.7(11) . . ?
C23 N11 C19 117.5(12) . . ?
C23 N11 Ag1 123.8(9) . . ?
C19 N11 Ag1 118.2(10) . . ?
C18 N12 C14 118.2(14) . . ?
C18 N12 Ag1 118.9(10) . . ?
C14 N12 Ag1 122.9(10) . . ?
C29 N13 C33 116.3(15) . . ?
C29 N13 Ag4 123.3(12) . . ?
C33 N13 Ag4 120.3(11) . . ?
C34 N14 C38 125.9(14) . . ?
C34 N14 Ag4 118.3(10) . . ?
C38 N14 Ag4 115.6(10) . . ?
C43 N15 C39 118.7(14) . . ?
C43 N15 Ag4 122.0(11) . . ?
C39 N15 Ag4 119.0(10) . . ?
N1 C1 Au1 178.6(14) . . ?
N2 C2 Au1 175.5(13) . . ?
N3 C3 Au2 178.4(16) . . ?
N4 C4 Au2 178.2(15) . . ?
N5 C5 Au3 178.4(17) . . ?
N6 C6 Au3 176.5(15) . . ?
N7 C7 Au4 177.7(15) . . ?
N8 C8 Au4 177.1(16) . . ?
N9 C9 C10 125(2) . . ?
N9 C9 H9 117.5 . . ?
C10 C9 H9 117.5 . . ?
C9 C10 C11 118(2) . . ?
C9 C10 H10 120.9 . . ?
C11 C10 H10 120.9 . . ?
C12 C11 C10 118(2) . . ?
C12 C11 H11 121.1 . . ?
C10 C11 H11 121.1 . . ?
C13 C12 C11 120(2) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 N9 123(2) . . ?
C12 C13 H13 118.7 . . ?
N9 C13 H13 118.7 . . ?
N12 C14 C15 123.4(15) . . ?
N12 C14 H14 118.3 . . ?
C15 C14 H14 118.3 . . ?
C16 C15 C14 114.4(17) . . ?
C16 C15 H15 122.8 . . ?
C14 C15 H15 122.8 . . ?
C17 C16 C15 123.1(19) . . ?
C17 C16 H16 118.4 . . ?
C15 C16 H16 118.4 . . ?
C16 C17 C18 120.4(17) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
N12 C18 C17 120.3(16) . . ?
N12 C18 C19 117.9(13) . . ?
C17 C18 C19 121.8(15) . . ?
C20 C19 N11 120.9(16) . . ?
C20 C19 C18 123.6(15) . . ?
N11 C19 C18 115.4(12) . . ?
C19 C20 C21 120.6(17) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C22 C21 C20 115.9(16) . . ?
C22 C21 H21 122.0 . . ?
C20 C21 H21 122.0 . . ?
C21 C22 C23 119.9(17) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
N11 C23 C22 125.1(16) . . ?
N11 C23 C24 115.8(12) . . ?
C22 C23 C24 119.1(16) . . ?
N10 C24 C25 121.7(15) . . ?
N10 C24 C23 114.0(13) . . ?
C25 C24 C23 124.2(14) . . ?
C26 C25 C24 119.8(15) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C27 120.0(16) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C28 C27 C26 116.5(16) . . ?
C28 C27 H27 121.8 . . ?
C26 C27 H27 121.8 . . ?
N10 C28 C27 123.3(17) . . ?
N10 C28 H28 118.3 . . ?
C27 C28 H28 118.3 . . ?
C30 C29 N13 125.6(19) . . ?
C30 C29 H29 117.2 . . ?
N13 C29 H29 117.2 . . ?
C29 C30 C31 115(2) . . ?
C29 C30 H30 122.3 . . ?
C31 C30 H30 122.3 . . ?
C30 C31 C32 125(2) . . ?
C30 C31 H31 117.3 . . ?
C32 C31 H31 117.3 . . ?
C31 C32 C33 114.7(17) . . ?
C31 C32 H32 122.7 . . ?
C33 C32 H32 122.7 . . ?
N13 C33 C32 122.5(15) . . ?
N13 C33 C34 113.1(14) . . ?
C32 C33 C34 124.4(16) . . ?
N14 C34 C35 117.8(15) . . ?
N14 C34 C33 121.2(14) . . ?
C35 C34 C33 121.0(16) . . ?
C36 C35 C34 120.9(16) . . ?
C36 C35 H35 119.5 . . ?
C34 C35 H35 119.5 . . ?
C35 C36 C37 116.2(17) . . ?
C35 C36 H36 121.9 . . ?
C37 C36 H36 121.9 . . ?
C38 C37 C36 121.0(16) . . ?
C38 C37 H37 119.5 . . ?
C36 C37 H37 119.5 . . ?
N14 C38 C37 116.8(16) . . ?
N14 C38 C39 119.4(13) . . ?
C37 C38 C39 123.7(15) . . ?
N15 C39 C40 120.4(14) . . ?
N15 C39 C38 116.4(13) . . ?
C40 C39 C38 123.2(14) . . ?
C41 C40 C39 123.4(17) . . ?
C41 C40 H40 118.3 . . ?
C39 C40 H40 118.3 . . ?
C40 C41 C42 115.6(17) . . ?
C40 C41 H41 122.2 . . ?
C42 C41 H41 122.2 . . ?
C43 C42 C41 120.2(19) . . ?
C43 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
N15 C43 C42 121.7(17) . . ?
N15 C43 H43 119.2 . . ?
C42 C43 H43 119.2 . . ?

_refine_diff_density_max         1.752
_refine_diff_density_min         -0.887
_refine_diff_density_rms         0.206

