# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1813171'
_audit_update_record             
;
2018-01-25 deposited with the CCDC.
2018-01-31 downloaded from the CCDC.
;

_audit_creation_date             2017-11-16T10:19:33-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C16 H4 Ag Au Cl4 F6 N2'
_chemical_formula_sum            'C16 H4 Ag Au Cl4 F6 N2'
_chemical_formula_weight         784.85
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   26.2046(14)
_cell_length_b                   7.3386(4)
_cell_length_c                   21.4656(6)
_cell_angle_alpha                90
_cell_angle_beta                 105.092(3)
_cell_angle_gamma                90
_cell_volume                     3985.6(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    1902
_cell_measurement_theta_min      2.847
_cell_measurement_theta_max      27.494
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       needle
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.125
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    2.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2896

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    8.934
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min  0.403
_exptl_absorpt_correction_T_max  0.528

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'Enraf Nonius FR590'
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_ub_11      0.02021
_diffrn_orient_matrix_ub_12      -0.060192
_diffrn_orient_matrix_ub_13      -0.027919
_diffrn_orient_matrix_ub_21      0.025091
_diffrn_orient_matrix_ub_22      -0.052336
_diffrn_orient_matrix_ub_23      0.039209
_diffrn_orient_matrix_ub_31      -0.022896
_diffrn_orient_matrix_ub_32      -0.110482
_diffrn_orient_matrix_ub_33      -0.003363
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.109
_diffrn_reflns_av_unetI/netI     0.0706
_diffrn_reflns_number            31519
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.847
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_reflns_Friedel_coverage         0
_reflns_number_total             4568
_reflns_number_gt                3222
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     'direct methods'
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0568P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_coef       0.00042(4)
_refine_ls_number_reflns         4568
_refine_ls_number_parameters     273
_refine_ls_number_restraints     54
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0462
_refine_ls_wR_factor_ref         0.1079
_refine_ls_wR_factor_gt          0.0963
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.96
_refine_diff_density_min         -2.689
_refine_diff_density_rms         0.263

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

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 0.23623(6) 0.25 0.02220(14) Uani 1 2 d S T P . .
Au2 Au 0 0.62382(6) 0.25 0.02305(15) Uani 1 2 d S T P . .
Ag1 Ag 0.03601(3) -0.07259(9) 0.20570(3) 0.03233(18) Uani 1 1 d . . . . .
F1 F 0.07618(18) 0.3407(7) 0.1615(2) 0.0335(11) Uani 1 1 d . U . . .
F2 F 0.24402(18) 0.2828(8) 0.3034(2) 0.0432(13) Uani 1 1 d . U . . .
F3 F 0.0940(2) 0.1220(7) 0.3720(2) 0.0403(13) Uani 1 1 d . U . . .
Cl1 Cl 0.18800(9) 0.3933(3) 0.17258(12) 0.0447(6) Uani 1 1 d . . . . .
Cl2 Cl 0.20954(9) 0.1505(4) 0.41456(11) 0.0464(6) Uani 1 1 d . . . . .
C1 C 0.0810(3) 0.2290(10) 0.2650(4) 0.0242(17) Uani 1 1 d . U . . .
C2 C 0.1060(3) 0.2904(11) 0.2208(4) 0.0239(17) Uani 1 1 d . U . . .
C3 C 0.1605(3) 0.3090(12) 0.2307(4) 0.0298(18) Uani 1 1 d . U . . .
C4 C 0.1915(3) 0.2625(11) 0.2916(4) 0.0327(19) Uani 1 1 d . U . . .
C5 C 0.1689(3) 0.2003(11) 0.3386(4) 0.0264(17) Uani 1 1 d . U . . .
C6 C 0.1150(3) 0.1828(11) 0.3246(4) 0.0264(17) Uani 1 1 d . U . . .
F4 F 0.12429(19) 0.6991(7) 0.2773(2) 0.0404(12) Uani 1 1 d . U . . .
F5 F 0.1830(2) 0.5900(8) 0.5000(3) 0.0534(16) Uani 1 1 d . U . . .
F6 F 0.00221(19) 0.5733(7) 0.3980(2) 0.0380(12) Uani 1 1 d . U . . .
Cl3 Cl 0.21868(9) 0.6694(4) 0.38417(13) 0.0534(7) Uani 1 1 d . . . . .
Cl4 Cl 0.07829(11) 0.5342(4) 0.52228(11) 0.0551(7) Uani 1 1 d . . . . .
C7 C 0.0603(3) 0.6316(10) 0.3333(4) 0.0231(16) Uani 1 1 d . U . . .
C8 C 0.1129(3) 0.6570(12) 0.3347(4) 0.0287(18) Uani 1 1 d . U . . .
C9 C 0.1547(3) 0.6440(12) 0.3882(4) 0.0339(19) Uani 1 1 d . U . . .
C10 C 0.1437(4) 0.6036(12) 0.4467(4) 0.036(2) Uani 1 1 d . U . . .
C11 C 0.0924(3) 0.5808(12) 0.4501(4) 0.0333(19) Uani 1 1 d . U . . .
C12 C 0.0526(3) 0.5960(10) 0.3939(4) 0.0251(18) Uani 1 1 d . U . . .
N1 N 0.0780(3) -0.0824(9) 0.1287(3) 0.0295(16) Uani 1 1 d . U . . .
N2 N 0.0711(3) -0.0130(13) 0.0177(3) 0.048(2) Uani 1 1 d . U . . .
C13 C 0.0522(4) -0.0345(14) 0.0692(4) 0.043(2) Uani 1 1 d . U . . .
H13 H 0.0162 -0.0132 0.0625 0.052 Uiso 1 1 calc R U . . .
C14 C 0.1222(4) -0.0494(14) 0.0283(4) 0.044(2) Uani 1 1 d . U . . .
H14 H 0.1378 -0.0388 -0.0058 0.053 Uiso 1 1 calc R U . . .
C15 C 0.1529(4) -0.1022(13) 0.0878(4) 0.044(3) Uani 1 1 d . U . . .
H15 H 0.1888 -0.126 0.0942 0.052 Uiso 1 1 calc R U . . .
C16 C 0.1289(4) -0.1188(13) 0.1375(4) 0.040(2) Uani 1 1 d . U . . .
H16 H 0.1488 -0.1562 0.1779 0.049 Uiso 1 1 calc R U . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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 2.063(8) . ?
Au1 C1 2.063(8) 2 ?
Au1 Ag1 2.7198(7) 2 ?
Au1 Ag1 2.7199(7) . ?
Au1 Au2 2.8443(6) . ?
Au2 C7 2.055(8) 2 ?
Au2 C7 2.055(8) . ?
Au2 Ag1 2.6880(7) 2_565 ?
Au2 Ag1 2.6880(7) 1_565 ?
Ag1 N1 2.213(7) . ?
Ag1 C1 2.669(7) . ?
Ag1 Au2 2.6880(7) 1_545 ?
Ag1 Ag1 3.0077(12) 2 ?
F1 C2 1.361(8) . ?
F2 C4 1.343(9) . ?
F3 C6 1.352(9) . ?
Cl1 C3 1.712(8) . ?
Cl2 C5 1.739(8) . ?
C1 C2 1.362(11) . ?
C1 C6 1.398(11) . ?
C2 C3 1.394(11) . ?
C3 C4 1.390(12) . ?
C4 C5 1.373(11) . ?
C5 C6 1.371(11) . ?
F4 C8 1.376(9) . ?
F5 C10 1.328(10) . ?
F6 C12 1.357(9) . ?
Cl3 C9 1.712(9) . ?
Cl4 C11 1.719(9) . ?
C7 C8 1.383(11) . ?
C7 C12 1.392(11) . ?
C8 C9 1.368(12) . ?
C9 C10 1.391(13) . ?
C10 C11 1.377(12) . ?
C11 C12 1.378(11) . ?
N1 C16 1.326(11) . ?
N1 C13 1.327(11) . ?
N2 C14 1.324(12) . ?
N2 C13 1.334(11) . ?
C14 C15 1.376(13) . ?
C15 C16 1.377(13) . ?

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 C1 177.0(4) . 2 ?
C1 Au1 Ag1 111.1(2) . 2 ?
C1 Au1 Ag1 66.2(2) 2 2 ?
C1 Au1 Ag1 66.2(2) . . ?
C1 Au1 Ag1 111.1(2) 2 . ?
Ag1 Au1 Ag1 67.13(3) 2 . ?
C1 Au1 Au2 91.5(2) . . ?
C1 Au1 Au2 91.5(2) 2 . ?
Ag1 Au1 Au2 146.434(14) 2 . ?
Ag1 Au1 Au2 146.432(14) . . ?
C7 Au2 C7 176.8(4) 2 . ?
C7 Au2 Ag1 91.4(2) 2 2_565 ?
C7 Au2 Ag1 86.0(2) . 2_565 ?
C7 Au2 Ag1 86.0(2) 2 1_565 ?
C7 Au2 Ag1 91.3(2) . 1_565 ?
Ag1 Au2 Ag1 68.03(3) 2_565 1_565 ?
C7 Au2 Au1 91.6(2) 2 . ?
C7 Au2 Au1 91.6(2) . . ?
Ag1 Au2 Au1 145.983(14) 2_565 . ?
Ag1 Au2 Au1 145.983(14) 1_565 . ?
N1 Ag1 C1 98.0(2) . . ?
N1 Ag1 Au2 121.74(18) . 1_545 ?
C1 Ag1 Au2 132.13(17) . 1_545 ?
N1 Ag1 Au1 124.99(18) . . ?
C1 Ag1 Au1 45.00(16) . . ?
Au2 Ag1 Au1 112.41(2) 1_545 . ?
N1 Ag1 Ag1 171.22(18) . 2 ?
C1 Ag1 Ag1 88.31(17) . 2 ?
Au2 Ag1 Ag1 55.980(14) 1_545 2 ?
Au1 Ag1 Ag1 56.432(14) . 2 ?
C2 C1 C6 114.2(7) . . ?
C2 C1 Au1 123.1(6) . . ?
C6 C1 Au1 122.2(6) . . ?
C2 C1 Ag1 100.1(5) . . ?
C6 C1 Ag1 109.4(5) . . ?
Au1 C1 Ag1 68.8(2) . . ?
F1 C2 C1 118.5(7) . . ?
F1 C2 C3 115.6(7) . . ?
C1 C2 C3 125.8(7) . . ?
C4 C3 C2 116.3(7) . . ?
C4 C3 Cl1 121.4(6) . . ?
C2 C3 Cl1 122.2(6) . . ?
F2 C4 C5 121.1(8) . . ?
F2 C4 C3 117.9(7) . . ?
C5 C4 C3 121.0(8) . . ?
C6 C5 C4 119.1(7) . . ?
C6 C5 Cl2 122.0(6) . . ?
C4 C5 Cl2 118.8(6) . . ?
F3 C6 C5 117.6(7) . . ?
F3 C6 C1 118.8(7) . . ?
C5 C6 C1 123.5(7) . . ?
C8 C7 C12 113.0(7) . . ?
C8 C7 Au2 124.0(6) . . ?
C12 C7 Au2 122.8(6) . . ?
C9 C8 F4 117.0(7) . . ?
C9 C8 C7 125.8(8) . . ?
F4 C8 C7 117.2(7) . . ?
C8 C9 C10 117.7(8) . . ?
C8 C9 Cl3 122.0(7) . . ?
C10 C9 Cl3 120.2(7) . . ?
F5 C10 C11 119.7(8) . . ?
F5 C10 C9 119.9(8) . . ?
C11 C10 C9 120.4(8) . . ?
C10 C11 C12 118.1(8) . . ?
C10 C11 Cl4 120.9(7) . . ?
C12 C11 Cl4 121.0(7) . . ?
F6 C12 C11 117.3(7) . . ?
F6 C12 C7 117.7(7) . . ?
C11 C12 C7 125.0(8) . . ?
C16 N1 C13 115.6(7) . . ?
C16 N1 Ag1 125.3(6) . . ?
C13 N1 Ag1 118.9(6) . . ?
C14 N2 C13 114.3(8) . . ?
N1 C13 N2 128.5(9) . . ?
N2 C14 C15 122.5(8) . . ?
C14 C15 C16 117.9(9) . . ?
N1 C16 C15 121.1(8) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C13 H13 N2 0.93 2.49 3.302(12) 146.4 5
C14 H14 Cl2 0.93 2.97 3.829(10) 154.9 6
C15 H15 F2 0.93 2.52 3.191(10) 128.9 4_545
C16 H16 F4 0.93 2.61 3.317(10) 133.3 1_545



# END of CIF
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1813172'
_audit_update_record             
;
2018-01-25 deposited with the CCDC.
2018-01-31 downloaded from the CCDC.
;

_audit_creation_date             2017-11-21T13:00:45-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C92 H26 Ag6 Au6 Cl24 F36 N10'
_chemical_formula_sum            'C92 H26 Ag6 Au6 Cl24 F36 N10'
_chemical_formula_weight         4635.05
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.1453(11)
_cell_length_b                   22.5446(9)
_cell_length_c                   20.0008(7)
_cell_angle_alpha                90
_cell_angle_beta                 117.734(2)
_cell_angle_gamma                90
_cell_volume                     11632.1(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    10873
_cell_measurement_theta_min      1.385
_cell_measurement_theta_max      27.686
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       sheet
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.175
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.075
_exptl_crystal_density_diffrn    2.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8544

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    9.18
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min  0.4117
_exptl_absorpt_correction_T_max  0.5364

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'Enraf Nonius FR590'
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_orient_matrix_ub_11      -0.019457
_diffrn_orient_matrix_ub_12      -0.000919
_diffrn_orient_matrix_ub_13      -0.056426
_diffrn_orient_matrix_ub_21      0.033527
_diffrn_orient_matrix_ub_22      -0.000747
_diffrn_orient_matrix_ub_23      -0.002347
_diffrn_orient_matrix_ub_31      -0.000162
_diffrn_orient_matrix_ub_32      -0.044341
_diffrn_orient_matrix_ub_33      0.001209
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.1098
_diffrn_reflns_av_unetI/netI     0.076
_diffrn_reflns_number            65019
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.385
_diffrn_reflns_theta_max         27.686
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.99
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.99
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.99
_reflns_Friedel_coverage         0
_reflns_number_total             13481
_reflns_number_gt                7995
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     'direct methods'
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0838P)²+88.3681P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         13481
_refine_ls_number_parameters     799
_refine_ls_number_restraints     153
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.1214
_refine_ls_R_factor_gt           0.0656
_refine_ls_wR_factor_ref         0.1822
_refine_ls_wR_factor_gt          0.1566
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.479
_refine_diff_density_min         -3.772
_refine_diff_density_rms         0.333

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

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 1 1.06295(2) 0.75 0.02715(16) Uani 1 2 d S T P A .
Au2 Au 1 0.26182(3) 0.75 0.03109(17) Uani 1 2 d S T P . .
Au3 Au 1 0.39381(2) 0.75 0.02515(15) Uani 1 2 d S T P . .
Au4 Au 1 0.59828(2) 0.75 0.02354(15) Uani 1 2 d S T P . .
Au5 Au 1 0.73912(3) 0.75 0.03070(17) Uani 1 2 d S T P A .
Au6 Au 1 0.93146(2) 0.75 0.02453(15) Uani 1 2 d S T P A .
Ag1A Ag 0.97928(10) 1.16135(10) 0.66249(14) 0.0320(5) Uani 0.75 1 d . . P A 1
Ag1B Ag 0.9607(3) 1.1630(3) 0.6716(4) 0.0508(19) Uani 0.25 1 d . . P A 2
Ag2 Ag 0.95919(4) 0.49514(4) 0.66261(5) 0.0408(3) Uani 1 1 d . . . . .
Ag3 Ag 0.98004(4) 0.83253(3) 0.82677(5) 0.0362(2) Uani 1 1 d . . . . .
F1 F 0.9232(3) 1.1045(3) 0.8140(4) 0.0468(18) Uani 1 1 d . U . . .
Cl1 Cl 0.81239(16) 1.09891(15) 0.7699(3) 0.0660(12) Uani 1 1 d . . . . .
F2 F 0.7607(3) 1.0596(4) 0.6128(5) 0.072(3) Uani 1 1 d . U . . .
Cl2 Cl 0.79798(16) 1.02325(18) 0.5052(2) 0.0714(12) Uani 1 1 d . . . . .
F3 F 0.9106(3) 1.0313(3) 0.5873(4) 0.0445(17) Uani 1 1 d . U . . .
C1 C 0.9208(5) 1.0678(4) 0.7017(7) 0.033(2) Uani 1 1 d . U . . .
C2 C 0.8949(5) 1.0841(5) 0.7422(7) 0.034(2) Uani 1 1 d . U . . .
C3 C 0.8424(5) 1.0823(5) 0.7153(8) 0.046(3) Uani 1 1 d . U . . .
C4 C 0.8113(5) 1.0632(5) 0.6399(9) 0.049(3) Uani 1 1 d . U . . .
C5 C 0.8358(5) 1.0461(5) 0.5969(8) 0.048(3) Uani 1 1 d . U . . .
C6 C 0.8885(5) 1.0498(5) 0.6294(7) 0.036(2) Uani 1 1 d . U . . .
F4 F 1.0081(3) 0.2777(3) 0.5984(4) 0.0386(16) Uani 1 1 d . U . . .
Cl3 Cl 1.08462(16) 0.26944(17) 0.5451(2) 0.0622(11) Uani 1 1 d . . . . .
F5 F 1.1845(3) 0.2467(3) 0.6777(5) 0.063(2) Uani 1 1 d . U . . .
Cl4 Cl 1.21455(15) 0.22700(16) 0.8390(2) 0.0685(12) Uani 1 1 d . . . . .
F6 F 1.1191(3) 0.2307(3) 0.8512(4) 0.054(2) Uani 1 1 d . U . . .
C7 C 1.0615(5) 0.2561(5) 0.7246(7) 0.031(2) Uani 1 1 d . U . . .
C8 C 1.0549(5) 0.2651(5) 0.6541(7) 0.034(2) Uani 1 1 d . U . . .
C9 C 1.0959(5) 0.2609(5) 0.6366(7) 0.040(3) Uani 1 1 d . U . . .
C10 C 1.1447(5) 0.2489(5) 0.6940(8) 0.044(3) Uani 1 1 d . U . . .
C11 C 1.1529(5) 0.2406(5) 0.7670(8) 0.046(3) Uani 1 1 d . U . . .
C12 C 1.1110(5) 0.2422(5) 0.7798(7) 0.042(3) Uani 1 1 d . U . . .
F7 F 0.9131(3) 0.4187(3) 0.8006(4) 0.0432(17) Uani 1 1 d . U . . .
Cl5 Cl 0.80163(15) 0.39550(15) 0.7437(2) 0.0594(10) Uani 1 1 d . . . . .
F8 F 0.7621(3) 0.3586(3) 0.5862(4) 0.058(2) Uani 1 1 d . U . . .
Cl6 Cl 0.81077(15) 0.33195(16) 0.4925(2) 0.0598(10) Uani 1 1 d . . . . .
F9 F 0.9205(2) 0.3588(3) 0.5810(3) 0.0374(16) Uani 1 1 d . U . . .
C13 C 0.9204(4) 0.3915(4) 0.6932(6) 0.026(2) Uani 1 1 d . U . . .
C14 C 0.8888(5) 0.4005(5) 0.7271(7) 0.037(3) Uani 1 1 d . U . . .
C15 C 0.8378(5) 0.3890(5) 0.6957(7) 0.034(2) Uani 1 1 d . U . . .
C16 C 0.8126(5) 0.3701(5) 0.6210(8) 0.042(3) Uani 1 1 d . U . . .
C17 C 0.8410(5) 0.3592(5) 0.5822(6) 0.035(2) Uani 1 1 d . U . . .
C18 C 0.8931(4) 0.3709(5) 0.6200(6) 0.031(2) Uani 1 1 d . U . . .
F10 F 0.9311(2) 0.6415(3) 0.5831(4) 0.0382(15) Uani 1 1 d . U . . .
Cl7 Cl 0.82230(13) 0.64983(16) 0.46916(18) 0.0548(9) Uani 1 1 d . . . . .
F11 F 0.7626(3) 0.6013(3) 0.5379(4) 0.056(2) Uani 1 1 d . U . . .
Cl8 Cl 0.78897(15) 0.54900(18) 0.6855(2) 0.0628(10) Uani 1 1 d . . . . .
F12 F 0.9022(3) 0.5527(3) 0.7727(4) 0.0452(17) Uani 1 1 d . U . . .
C19 C 0.9207(4) 0.5963(4) 0.6806(6) 0.025(2) Uani 1 1 d . U . . .
C20 C 0.8993(4) 0.6198(5) 0.6083(6) 0.029(2) Uani 1 1 d . U . . .
C21 C 0.8473(4) 0.6215(5) 0.5593(6) 0.033(2) Uani 1 1 d . U . . .
C22 C 0.8130(5) 0.5998(5) 0.5832(8) 0.040(3) Uani 1 1 d . U . . .
C23 C 0.8321(5) 0.5768(5) 0.6559(7) 0.040(3) Uani 1 1 d . U . . .
C24 C 0.8848(5) 0.5756(5) 0.7016(6) 0.029(2) Uani 1 1 d . U . . .
F13 F 1.1149(3) 0.7690(3) 0.8707(4) 0.0480(18) Uani 1 1 d . U . . .
Cl9 Cl 1.21989(14) 0.74699(17) 0.8967(2) 0.0720(12) Uani 1 1 d . . . . .
F14 F 1.2116(3) 0.6956(4) 0.7579(6) 0.084(3) Uani 1 1 d . U . . .
Cl10 Cl 1.1238(2) 0.66843(17) 0.6098(3) 0.0781(14) Uani 1 1 d . . . . .
F15 F 1.0303(3) 0.6991(3) 0.6207(4) 0.0489(18) Uani 1 1 d . U . . .
C25 C 1.0676(5) 0.7367(5) 0.7449(7) 0.038(3) Uani 1 1 d . U . . .
C26 C 1.1157(5) 0.7467(5) 0.8085(7) 0.038(2) Uani 1 1 d . U . . .
C27 C 1.1646(5) 0.7335(5) 0.8160(8) 0.047(3) Uani 1 1 d . U . . .
C28 C 1.1649(5) 0.7082(6) 0.7528(9) 0.051(3) Uani 1 1 d . U . . .
C29 C 1.1204(5) 0.6974(6) 0.6871(8) 0.046(3) Uani 1 1 d . U . . .
C30 C 1.0742(5) 0.7106(5) 0.6845(7) 0.036(2) Uani 1 1 d . U . . .
F16 F 0.9917(3) 0.9759(3) 0.8955(4) 0.0418(16) Uani 1 1 d . U . . .
Cl11 Cl 0.91371(15) 0.99843(16) 0.94389(18) 0.0557(10) Uani 1 1 d . . . . .
F17 F 0.8148(3) 0.9595(3) 0.8196(4) 0.0455(17) Uani 1 1 d . U . . .
Cl12 Cl 0.78525(12) 0.90763(15) 0.6705(2) 0.0502(9) Uani 1 1 d . . . . .
F18 F 0.8802(3) 0.8954(3) 0.6585(4) 0.0395(17) Uani 1 1 d . U . . .
C31 C 0.9403(4) 0.9343(4) 0.7760(6) 0.027(2) Uani 1 1 d . U . . .
C32 C 0.9451(4) 0.9592(4) 0.8437(6) 0.026(2) Uani 1 1 d . U . . .
C33 C 0.9033(5) 0.9689(5) 0.8576(6) 0.030(2) Uani 1 1 d . U . . .
C34 C 0.8547(4) 0.9524(5) 0.8056(7) 0.031(2) Uani 1 1 d . U . . .
C35 C 0.8462(4) 0.9278(5) 0.7367(7) 0.033(2) Uani 1 1 d . U . . .
C36 C 0.8891(4) 0.9189(5) 0.7253(6) 0.029(2) Uani 1 1 d . U . . .
N1 N 0.9349(5) 1.1652(4) 0.5339(7) 0.050(3) Uani 1 1 d . U . . .
C37 C 0.9607(6) 1.1652(5) 0.4914(7) 0.042(3) Uani 1 1 d . U . . .
H37 H 0.9965 1.1611 0.5157 0.051 Uiso 1 1 calc R U . . .
N2 N 0.9355(4) 1.1709(4) 0.4148(6) 0.038(2) Uani 1 1 d . U . . .
C38 C 0.8831(6) 1.1730(5) 0.3835(8) 0.047(3) Uani 1 1 d . U . . .
H38 H 0.8648 1.1756 0.3312 0.056 Uiso 1 1 calc R U . . .
C39 C 0.8538(6) 1.1717(6) 0.4233(9) 0.054(3) Uani 1 1 d . U . . .
H39 H 0.8178 1.1729 0.3994 0.065 Uiso 1 1 calc R U . . .
C40 C 0.8841(6) 1.1685(5) 0.5027(8) 0.046(3) Uani 1 1 d . U . . .
H40 H 0.8678 1.1687 0.5332 0.055 Uiso 1 1 calc R U . . .
N3 N 1.0009(6) 0.5244(8) 0.5906(8) 0.094(5) Uani 1 1 d . U . . .
C41 C 1.0012(7) 0.5592(7) 0.5455(9) 0.067(4) Uani 1 1 d . U . . .
C42 C 0.9965(7) 0.5996(6) 0.4870(8) 0.071(5) Uani 1 1 d . U . . .
H42A H 0.9632 0.6187 0.4661 0.107 Uiso 1 1 calc R U . . .
H42B H 0.9997 0.5781 0.448 0.107 Uiso 1 1 calc R U . . .
H42C H 1.0233 0.629 0.5079 0.107 Uiso 1 1 calc R U . . .
N4 N 0.8837(6) 0.4876(5) 0.5365(7) 0.068(4) Uani 1 1 d . U . . .
C43 C 0.8653(6) 0.4894(6) 0.4730(8) 0.053(4) Uani 1 1 d . U . . .
C44 C 0.8433(7) 0.4905(7) 0.3897(8) 0.072(5) Uani 1 1 d . U . . .
H44A H 0.8706 0.4968 0.3763 0.108 Uiso 1 1 calc R U . . .
H44B H 0.8185 0.5222 0.3695 0.108 Uiso 1 1 calc R U . . .
H44C H 0.8264 0.4534 0.3691 0.108 Uiso 1 1 calc R U . . .
N5 N 1.0551(5) 0.8547(5) 0.9340(6) 0.055(3) Uani 1 1 d . U . . .
C45 C 1.0983(6) 0.8593(6) 0.9698(8) 0.045(3) Uani 1 1 d . U . . .
C46 C 1.1549(5) 0.8641(8) 1.0189(8) 0.064(4) Uani 1 1 d . U . . .
H46A H 1.1705 0.884 0.992 0.096 Uiso 1 1 calc R U . . .
H46B H 1.1695 0.8252 1.0332 0.096 Uiso 1 1 calc R U . . .
H46C H 1.1614 0.8864 1.0634 0.096 Uiso 1 1 calc R U . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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 2.049(12) . ?
Au1 C1 2.049(12) 2_756 ?
Au1 Ag1B 2.682(7) 2_756 ?
Au1 Ag1B 2.682(7) . ?
Au1 Ag1A 2.714(2) 2_756 ?
Au1 Ag1A 2.714(2) . ?
Au1 Au6 2.9644(8) . ?
Au2 C7 2.082(11) . ?
Au2 C7 2.083(11) 2_756 ?
Au2 Ag1B 2.657(7) 1_545 ?
Au2 Ag1B 2.657(7) 2_746 ?
Au2 Ag1A 2.752(2) 1_545 ?
Au2 Ag1A 2.752(2) 2_746 ?
Au2 Au3 2.9758(8) . ?
Au3 C13 2.056(11) 2_756 ?
Au3 C13 2.056(11) . ?
Au3 Ag2 2.7844(10) . ?
Au3 Ag2 2.7845(10) 2_756 ?
Au4 C19 2.070(11) 2_756 ?
Au4 C19 2.070(11) . ?
Au4 Ag2 2.8180(10) 2_756 ?
Au4 Ag2 2.8181(10) . ?
Au4 Au5 3.1754(8) . ?
Au5 C25 2.022(13) 2_756 ?
Au5 C25 2.022(13) . ?
Au5 Ag3 2.8217(10) . ?
Au5 Ag3 2.8218(10) 2_756 ?
Au6 C31 2.036(11) 2_756 ?
Au6 C31 2.036(11) . ?
Au6 Ag3 2.9158(10) 2_756 ?
Au6 Ag3 2.9158(10) . ?
Ag1A N1 2.280(13) . ?
Ag1A Au2 2.752(2) 1_565 ?
Ag1A Ag1A 3.127(5) 2_756 ?
Ag1B N1 2.494(14) . ?
Ag1B C1 2.642(13) . ?
Ag1B Au2 2.657(7) 1_565 ?
Ag1B Ag1B 2.899(15) 2_756 ?
Ag2 N3 2.369(14) . ?
Ag2 N4 2.463(13) . ?
Ag2 C19 2.639(10) . ?
Ag2 Ag2 3.1843(19) 2_756 ?
Ag3 N5 2.295(12) . ?
Ag3 C31 2.557(10) . ?
Ag3 C25 2.607(11) 2_756 ?
Ag3 N2 2.630(11) 6_576 ?
F1 C2 1.362(14) . ?
Cl1 C3 1.728(14) . ?
F2 C4 1.316(15) . ?
Cl2 C5 1.722(15) . ?
F3 C6 1.342(13) . ?
C1 C6 1.369(16) . ?
C1 C2 1.390(16) . ?
C2 C3 1.365(17) . ?
C3 C4 1.418(19) . ?
C4 C5 1.403(19) . ?
C5 C6 1.363(17) . ?
F4 C8 1.330(13) . ?
Cl3 C9 1.713(13) . ?
F5 C10 1.346(14) . ?
Cl4 C11 1.728(13) . ?
F6 C12 1.360(14) . ?
C7 C8 1.345(16) . ?
C7 C12 1.384(17) . ?
C8 C9 1.398(17) . ?
C9 C10 1.375(17) . ?
C10 C11 1.379(18) . ?
C11 C12 1.361(19) . ?
F7 C14 1.364(13) . ?
Cl5 C15 1.730(11) . ?
F8 C16 1.330(13) . ?
Cl6 C17 1.703(12) . ?
F9 C18 1.377(12) . ?
C13 C18 1.382(15) . ?
C13 C14 1.390(16) . ?
C14 C15 1.343(17) . ?
C15 C16 1.390(17) . ?
C16 C17 1.394(17) . ?
C17 C18 1.372(16) . ?
F10 C20 1.337(12) . ?
Cl7 C21 1.722(11) . ?
F11 C22 1.320(13) . ?
Cl8 C23 1.736(12) . ?
F12 C24 1.370(13) . ?
C19 C24 1.378(15) . ?
C19 C20 1.386(15) . ?
C20 C21 1.370(15) . ?
C21 C22 1.382(17) . ?
C22 C23 1.393(17) . ?
C23 C24 1.374(17) . ?
F13 C26 1.353(14) . ?
Cl9 C27 1.696(14) . ?
F14 C28 1.347(14) . ?
Cl10 C29 1.723(14) . ?
F15 C30 1.346(13) . ?
C25 C26 1.405(17) . ?
C25 C30 1.435(17) . ?
C25 Ag3 2.607(11) 2_756 ?
C26 C27 1.392(18) . ?
C27 C28 1.39(2) . ?
C28 C29 1.371(19) . ?
C29 C30 1.357(17) . ?
F16 C32 1.324(12) . ?
Cl11 C33 1.740(11) . ?
F17 C34 1.326(12) . ?
Cl12 C35 1.710(12) . ?
F18 C36 1.347(12) . ?
C31 C36 1.402(15) . ?
C31 C32 1.411(14) . ?
C32 C33 1.386(15) . ?
C33 C34 1.362(16) . ?
C34 C35 1.397(16) . ?
C35 C36 1.386(16) . ?
N1 C40 1.314(18) . ?
N1 C37 1.374(17) . ?
C37 N2 1.361(15) . ?
N2 C38 1.357(17) . ?
N2 Ag3 2.630(10) 6_575 ?
C38 C39 1.411(19) . ?
C39 C40 1.42(2) . ?
N3 C41 1.199(19) . ?
C41 C42 1.44(2) . ?
N4 C43 1.126(17) . ?
C43 C44 1.48(2) . ?
N5 C45 1.126(16) . ?
C45 C46 1.480(19) . ?

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 C1 173.9(6) . 2_756 ?
C1 Au1 Ag1B 108.2(3) . 2_756 ?
C1 Au1 Ag1B 66.4(3) 2_756 2_756 ?
C1 Au1 Ag1B 66.4(3) . . ?
C1 Au1 Ag1B 108.2(3) 2_756 . ?
Ag1B Au1 Ag1B 65.4(3) 2_756 . ?
C1 Au1 Ag1A 97.1(3) . 2_756 ?
C1 Au1 Ag1A 77.8(3) 2_756 2_756 ?
C1 Au1 Ag1A 77.8(3) . . ?
C1 Au1 Ag1A 97.1(3) 2_756 . ?
Ag1A Au1 Ag1A 70.35(10) 2_756 . ?
C1 Au1 Au6 93.0(3) . . ?
C1 Au1 Au6 93.0(3) 2_756 . ?
Ag1B Au1 Au6 147.29(16) 2_756 . ?
Ag1B Au1 Au6 147.29(16) . . ?
Ag1A Au1 Au6 144.82(5) 2_756 . ?
Ag1A Au1 Au6 144.82(5) . . ?
C7 Au2 C7 172.9(6) . 2_756 ?
C7 Au2 Ag1B 89.3(3) . 1_545 ?
C7 Au2 Ag1B 84.8(3) 2_756 1_545 ?
C7 Au2 Ag1B 84.8(3) . 2_746 ?
C7 Au2 Ag1B 89.3(3) 2_756 2_746 ?
Ag1B Au2 Ag1B 66.1(3) 1_545 2_746 ?
C7 Au2 Ag1A 75.7(3) . 1_545 ?
C7 Au2 Ag1A 98.4(3) 2_756 1_545 ?
C7 Au2 Ag1A 98.4(3) . 2_746 ?
C7 Au2 Ag1A 75.7(3) 2_756 2_746 ?
Ag1A Au2 Ag1A 69.23(10) 1_545 2_746 ?
C7 Au2 Au3 93.5(3) . . ?
C7 Au2 Au3 93.5(3) 2_756 . ?
Ag1B Au2 Au3 146.94(16) 1_545 . ?
Ag1B Au2 Au3 146.94(16) 2_746 . ?
Ag1A Au2 Au3 145.38(5) 1_545 . ?
Ag1A Au2 Au3 145.38(5) 2_746 . ?
C13 Au3 C13 177.1(5) 2_756 . ?
C13 Au3 Ag2 114.2(3) 2_756 . ?
C13 Au3 Ag2 68.4(3) . . ?
C13 Au3 Ag2 68.4(3) 2_756 2_756 ?
C13 Au3 Ag2 114.2(3) . 2_756 ?
Ag2 Au3 Ag2 69.75(4) . 2_756 ?
C13 Au3 Au2 88.5(3) 2_756 . ?
C13 Au3 Au2 88.5(3) . . ?
Ag2 Au3 Au2 145.12(2) . . ?
Ag2 Au3 Au2 145.13(2) 2_756 . ?
C19 Au4 C19 177.5(5) 2_756 . ?
C19 Au4 Ag2 63.2(3) 2_756 2_756 ?
C19 Au4 Ag2 114.5(3) . 2_756 ?
C19 Au4 Ag2 114.5(3) 2_756 . ?
C19 Au4 Ag2 63.2(3) . . ?
Ag2 Au4 Ag2 68.80(4) 2_756 . ?
C19 Au4 Au5 91.3(3) 2_756 . ?
C19 Au4 Au5 91.3(3) . . ?
Ag2 Au4 Au5 145.599(19) 2_756 . ?
Ag2 Au4 Au5 145.600(19) . . ?
C25 Au5 C25 177.0(6) 2_756 . ?
C25 Au5 Ag3 62.6(3) 2_756 . ?
C25 Au5 Ag3 120.0(3) . . ?
C25 Au5 Ag3 120.0(3) 2_756 2_756 ?
C25 Au5 Ag3 62.6(3) . 2_756 ?
Ag3 Au5 Ag3 83.46(4) . 2_756 ?
C25 Au5 Au4 88.5(3) 2_756 . ?
C25 Au5 Au4 88.5(3) . . ?
Ag3 Au5 Au4 138.27(2) . . ?
Ag3 Au5 Au4 138.27(2) 2_756 . ?
C31 Au6 C31 176.5(6) 2_756 . ?
C31 Au6 Ag3 59.0(3) 2_756 2_756 ?
C31 Au6 Ag3 124.2(3) . 2_756 ?
C31 Au6 Ag3 124.2(3) 2_756 . ?
C31 Au6 Ag3 59.0(3) . . ?
Ag3 Au6 Ag3 80.20(4) 2_756 . ?
C31 Au6 Au1 88.2(3) 2_756 . ?
C31 Au6 Au1 88.2(3) . . ?
Ag3 Au6 Au1 139.898(19) 2_756 . ?
Ag3 Au6 Au1 139.900(19) . . ?
N1 Ag1A Au1 126.7(3) . . ?
N1 Ag1A Au2 121.8(3) . 1_565 ?
Au1 Ag1A Au2 110.21(8) . 1_565 ?
N1 Ag1A Ag1A 169.6(3) . 2_756 ?
Au1 Ag1A Ag1A 54.82(5) . 2_756 ?
Au2 Ag1A Ag1A 55.38(5) 1_565 2_756 ?
N1 Ag1B C1 109.2(4) . . ?
N1 Ag1B Au2 117.5(3) . 1_565 ?
C1 Ag1B Au2 131.4(4) . 1_565 ?
N1 Ag1B Au1 119.3(4) . . ?
C1 Ag1B Au1 45.3(3) . . ?
Au2 Ag1B Au1 114.2(3) 1_565 . ?
N1 Ag1B Ag1B 151.1(5) . 2_756 ?
C1 Ag1B Ag1B 87.9(3) . 2_756 ?
Au2 Ag1B Ag1B 56.94(16) 1_565 2_756 ?
Au1 Ag1B Ag1B 57.29(16) . 2_756 ?
N3 Ag2 N4 82.1(5) . . ?
N3 Ag2 C19 102.3(5) . . ?
N4 Ag2 C19 88.0(4) . . ?
N3 Ag2 Au3 114.8(4) . . ?
N4 Ag2 Au3 120.2(3) . . ?
C19 Ag2 Au3 135.1(2) . . ?
N3 Ag2 Au4 87.7(4) . . ?
N4 Ag2 Au4 127.6(3) . . ?
C19 Ag2 Au4 44.4(2) . . ?
Au3 Ag2 Au4 110.72(3) . . ?
N3 Ag2 Ag2 109.6(4) . 2_756 ?
N4 Ag2 Ag2 168.3(3) . 2_756 ?
C19 Ag2 Ag2 89.9(2) . 2_756 ?
Au3 Ag2 Ag2 55.126(19) . 2_756 ?
Au4 Ag2 Ag2 55.599(19) . 2_756 ?
N5 Ag3 C31 103.5(4) . . ?
N5 Ag3 C25 136.6(4) . 2_756 ?
C31 Ag3 C25 119.9(4) . 2_756 ?
N5 Ag3 N2 86.2(4) . 6_576 ?
C31 Ag3 N2 91.1(3) . 6_576 ?
C25 Ag3 N2 92.3(4) 2_756 6_576 ?
N5 Ag3 Au5 108.8(3) . . ?
C31 Ag3 Au5 128.6(2) . . ?
C25 Ag3 Au5 43.5(3) 2_756 . ?
N2 Ag3 Au5 129.3(2) 6_576 . ?
N5 Ag3 Au6 89.3(3) . . ?
C31 Ag3 Au6 43.1(2) . . ?
C25 Ag3 Au6 122.0(3) 2_756 . ?
N2 Ag3 Au6 131.06(19) 6_576 . ?
Au5 Ag3 Au6 98.17(3) . . ?
C6 C1 C2 113.6(12) . . ?
C6 C1 Au1 123.5(9) . . ?
C2 C1 Au1 122.6(9) . . ?
C6 C1 Ag1B 99.1(7) . . ?
C2 C1 Ag1B 109.5(7) . . ?
Au1 C1 Ag1B 68.4(4) . . ?
F1 C2 C3 116.4(11) . . ?
F1 C2 C1 118.5(11) . . ?
C3 C2 C1 125.1(12) . . ?
C2 C3 C4 118.2(13) . . ?
C2 C3 Cl1 123.3(11) . . ?
C4 C3 Cl1 118.4(11) . . ?
F2 C4 C5 121.6(14) . . ?
F2 C4 C3 119.8(13) . . ?
C5 C4 C3 118.6(12) . . ?
C6 C5 C4 118.2(13) . . ?
C6 C5 Cl2 123.2(11) . . ?
C4 C5 Cl2 118.6(11) . . ?
F3 C6 C5 116.4(11) . . ?
F3 C6 C1 117.4(11) . . ?
C5 C6 C1 126.2(12) . . ?
C8 C7 C12 117.3(11) . . ?
C8 C7 Au2 121.8(9) . . ?
C12 C7 Au2 120.9(9) . . ?
F4 C8 C7 120.1(11) . . ?
F4 C8 C9 117.9(11) . . ?
C7 C8 C9 122.0(12) . . ?
C10 C9 C8 118.4(12) . . ?
C10 C9 Cl3 121.6(10) . . ?
C8 C9 Cl3 120.0(10) . . ?
F5 C10 C9 118.5(12) . . ?
F5 C10 C11 120.5(12) . . ?
C9 C10 C11 121.0(12) . . ?
C12 C11 C10 117.8(12) . . ?
C12 C11 Cl4 121.7(11) . . ?
C10 C11 Cl4 120.5(11) . . ?
F6 C12 C11 117.4(12) . . ?
F6 C12 C7 119.3(12) . . ?
C11 C12 C7 123.3(12) . . ?
C18 C13 C14 112.5(11) . . ?
C18 C13 Au3 122.6(8) . . ?
C14 C13 Au3 124.1(8) . . ?
C15 C14 F7 118.0(11) . . ?
C15 C14 C13 125.8(11) . . ?
F7 C14 C13 116.1(11) . . ?
C14 C15 C16 118.5(11) . . ?
C14 C15 Cl5 123.5(10) . . ?
C16 C15 Cl5 118.0(10) . . ?
F8 C16 C15 121.6(11) . . ?
F8 C16 C17 118.2(11) . . ?
C15 C16 C17 120.0(11) . . ?
C18 C17 C16 116.8(11) . . ?
C18 C17 Cl6 123.2(9) . . ?
C16 C17 Cl6 120.0(9) . . ?
C17 C18 F9 115.8(10) . . ?
C17 C18 C13 126.3(11) . . ?
F9 C18 C13 117.9(10) . . ?
C24 C19 C20 114.2(10) . . ?
C24 C19 Au4 125.0(8) . . ?
C20 C19 Au4 120.8(8) . . ?
C24 C19 Ag2 100.5(7) . . ?
C20 C19 Ag2 101.6(7) . . ?
Au4 C19 Ag2 72.4(3) . . ?
F10 C20 C21 116.7(10) . . ?
F10 C20 C19 118.6(10) . . ?
C21 C20 C19 124.6(10) . . ?
C20 C21 C22 118.7(11) . . ?
C20 C21 Cl7 123.2(9) . . ?
C22 C21 Cl7 118.2(9) . . ?
F11 C22 C21 120.4(12) . . ?
F11 C22 C23 120.1(11) . . ?
C21 C22 C23 119.4(11) . . ?
C24 C23 C22 118.7(11) . . ?
C24 C23 Cl8 121.9(10) . . ?
C22 C23 Cl8 119.3(10) . . ?
F12 C24 C23 117.3(10) . . ?
F12 C24 C19 118.4(10) . . ?
C23 C24 C19 124.3(11) . . ?
C26 C25 C30 111.1(12) . . ?
C26 C25 Au5 122.4(9) . . ?
C30 C25 Au5 124.6(9) . . ?
C26 C25 Ag3 114.6(8) . 2_756 ?
C30 C25 Ag3 97.1(7) . 2_756 ?
Au5 C25 Ag3 73.9(4) . 2_756 ?
F13 C26 C27 115.8(11) . . ?
F13 C26 C25 117.0(12) . . ?
C27 C26 C25 127.1(13) . . ?
C28 C27 C26 115.4(13) . . ?
C28 C27 Cl9 122.3(11) . . ?
C26 C27 Cl9 122.4(12) . . ?
F14 C28 C29 120.4(14) . . ?
F14 C28 C27 116.8(14) . . ?
C29 C28 C27 122.7(12) . . ?
C30 C29 C28 118.5(12) . . ?
C30 C29 Cl10 121.3(11) . . ?
C28 C29 Cl10 120.3(11) . . ?
F15 C30 C29 118.9(11) . . ?
F15 C30 C25 116.0(11) . . ?
C29 C30 C25 125.2(12) . . ?
C36 C31 C32 112.9(10) . . ?
C36 C31 Au6 123.8(8) . . ?
C32 C31 Au6 122.9(8) . . ?
C36 C31 Ag3 101.4(7) . . ?
C32 C31 Ag3 98.8(7) . . ?
Au6 C31 Ag3 77.9(3) . . ?
F16 C32 C33 118.4(9) . . ?
F16 C32 C31 118.1(9) . . ?
C33 C32 C31 123.5(10) . . ?
C34 C33 C32 120.1(10) . . ?
C34 C33 Cl11 120.1(9) . . ?
C32 C33 Cl11 119.7(9) . . ?
F17 C34 C33 120.6(10) . . ?
F17 C34 C35 119.1(11) . . ?
C33 C34 C35 120.4(10) . . ?
C36 C35 C34 117.4(11) . . ?
C36 C35 Cl12 121.7(9) . . ?
C34 C35 Cl12 120.9(9) . . ?
F18 C36 C35 116.6(10) . . ?
F18 C36 C31 117.6(10) . . ?
C35 C36 C31 125.7(11) . . ?
C40 N1 C37 121.8(13) . . ?
C40 N1 Ag1A 117.4(9) . . ?
C37 N1 Ag1A 120.8(10) . . ?
C40 N1 Ag1B 102.7(9) . . ?
C37 N1 Ag1B 135.5(10) . . ?
N2 C37 N1 122.2(13) . . ?
C38 N2 C37 115.0(11) . . ?
C38 N2 Ag3 119.5(8) . 6_575 ?
C37 N2 Ag3 125.1(9) . 6_575 ?
N2 C38 C39 125.9(13) . . ?
C38 C39 C40 114.2(14) . . ?
N1 C40 C39 120.7(13) . . ?
C41 N3 Ag2 145.6(14) . . ?
N3 C41 C42 175(2) . . ?
C43 N4 Ag2 152.0(14) . . ?
N4 C43 C44 177.3(19) . . ?
C45 N5 Ag3 155.7(12) . . ?
N5 C45 C46 178.0(16) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C40 H40 F6 0.93 2.57 3.279(15) 133.1 2_766
C39 H39 F8 0.93 2.58 3.365(17) 142.9 7_666
C42 H42A Cl3 0.96 2.84 3.647(14) 142.3 5_766
C42 H42B N3 0.96 2.43 3.22(2) 138.4 5_766
C42 H42C Cl10 0.96 2.82 3.704(18) 153.3 .
C44 H44B Cl5 0.96 2.98 3.647(15) 127.9 6_565
C46 H46A F11 0.96 2.42 3.082(15) 125.5 8_566
C40 H40 F6 0.93 2.57 3.279(15) 133.1 2_766
C39 H39 F8 0.93 2.58 3.365(17) 142.9 7_666
C42 H42A Cl3 0.96 2.84 3.647(14) 142.3 5_766
C42 H42B N3 0.96 2.43 3.22(2) 138.4 5_766
C42 H42C Cl10 0.96 2.82 3.704(18) 153.3 .
C44 H44B Cl5 0.96 2.98 3.647(15) 127.9 6_565
C46 H46A F11 0.96 2.42 3.082(15) 125.5 8_566



# END of CIF
_exptl_crystal_preparation       Luminescent
