# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_MIN-ronbun-1-rac-binaphthyl
_database_code_depnum_ccdc_archive 'CCDC 1472283'
_audit_update_record             
;
2016-04-05 deposited with the CCDC.
2016-05-06 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C34.25 H22.5 Au2 Cl0.5 N2'
_chemical_formula_moiety         'C34.25 H22.5 Au2 Cl0.5 N2'
_chemical_formula_weight         873.73
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
_space_group_IT_number           60
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,+Z
3 +X,-Y,1/2+Z
4 1/2-X,1/2-Y,1/2+Z
5 -X,-Y,-Z
6 1/2+X,1/2-Y,-Z
7 -X,+Y,1/2-Z
8 1/2+X,1/2+Y,1/2-Z
#------------------------------------------------------------------------------
_cell_length_a                   13.0435(4)
_cell_length_b                   18.7272(7)
_cell_length_c                   23.6159(9)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     5768.6(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    34419
_cell_measurement_theta_min      3.02
_cell_measurement_theta_max      27.47
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       chunk
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.165
_exptl_crystal_size_mid          0.131
_exptl_crystal_size_min          0.072
_exptl_crystal_density_diffrn    2.012
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3268.00
_exptl_absorpt_coefficient_mu    10.268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.221
_exptl_absorpt_correction_T_max  0.477

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            46284
_diffrn_reflns_av_R_equivalents  0.0887
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         3.124
_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
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       28
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             5667
_reflns_number_gt                4553
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0380
_refine_ls_wR_factor_ref         0.0749
_refine_ls_wR_factor_gt          0.0701
_refine_ls_number_restraints     321
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5667
_refine_ls_number_parameters     368
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+43.4568P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         0.85
_refine_diff_density_min         -1.19
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Au Au -2.0133 8.8022
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.37704(2) 0.35318(2) 0.83822(2) 0.03426(9) Uani 1 1 d . . . . .
Au2 Au 0.53344(2) 0.20341(2) 0.68122(2) 0.03420(9) Uani 1 1 d . . . . .
N35 N 0.3611(4) 0.4074(3) 0.7138(3) 0.0330(14) Uani 1 1 d . U . . .
N37 N 0.3131(5) 0.2655(3) 0.6617(3) 0.0334(14) Uani 1 1 d . U . . .
C3 C 0.3545(5) 0.4307(4) 0.6570(3) 0.0332(16) Uani 1 1 d . U . . .
C4 C 0.4287(6) 0.4799(4) 0.6386(4) 0.0406(18) Uani 1 1 d . U . . .
H4 H 0.4824 0.4951 0.6629 0.049 Uiso 1 1 calc R U . . .
C5 C 0.4207(6) 0.5047(5) 0.5849(4) 0.0479(19) Uani 1 1 d . U . . .
H5 H 0.4685 0.5395 0.5722 0.057 Uiso 1 1 calc R U . . .
C6 C 0.3437(6) 0.4808(5) 0.5470(4) 0.0451(19) Uani 1 1 d . U . . .
C7 C 0.3385(7) 0.5050(6) 0.4907(4) 0.063(2) Uani 1 1 d . U . . .
H7 H 0.3852 0.5403 0.4777 0.076 Uiso 1 1 calc R U . . .
C8 C 0.2672(8) 0.4784(6) 0.4551(4) 0.069(3) Uani 1 1 d . U . . .
H8 H 0.2651 0.4948 0.4171 0.083 Uiso 1 1 calc R U . . .
C9 C 0.1971(8) 0.4275(6) 0.4729(4) 0.064(3) Uani 1 1 d . U . . .
H9 H 0.1483 0.4091 0.4468 0.077 Uiso 1 1 calc R U . . .
C10 C 0.1976(7) 0.4035(5) 0.5278(3) 0.048(2) Uani 1 1 d . U . . .
H10 H 0.1486 0.3691 0.5398 0.057 Uiso 1 1 calc R U . . .
C11 C 0.2715(6) 0.4303(4) 0.5670(3) 0.0400(18) Uani 1 1 d . U . . .
C12 C 0.2752(5) 0.4068(4) 0.6242(3) 0.0302(15) Uani 1 1 d . U . . .
C13 C 0.2124(5) 0.2922(4) 0.6640(3) 0.0336(16) Uani 1 1 d . U . . .
C14 C 0.1933(5) 0.3598(4) 0.6472(3) 0.0294(15) Uani 1 1 d . U . . .
C15 C 0.0907(5) 0.3862(4) 0.6539(3) 0.0305(15) Uani 1 1 d . U . . .
C16 C 0.0652(6) 0.4586(4) 0.6450(3) 0.0394(18) Uani 1 1 d . U . . .
H16 H 0.1167 0.4907 0.6325 0.047 Uiso 1 1 calc R U . . .
C17 C -0.0325(6) 0.4836(5) 0.6540(4) 0.049(2) Uani 1 1 d . U . . .
H17 H -0.0476 0.5327 0.6485 0.058 Uiso 1 1 calc R U . . .
C18 C -0.1096(6) 0.4367(5) 0.6714(4) 0.048(2) Uani 1 1 d . U . . .
H18 H -0.1774 0.4539 0.6769 0.058 Uiso 1 1 calc R U . . .
C19 C -0.0878(6) 0.3659(5) 0.6806(4) 0.046(2) Uani 1 1 d . U . . .
H19 H -0.1411 0.3344 0.6918 0.055 Uiso 1 1 calc R U . . .
C20 C 0.0129(6) 0.3391(4) 0.6736(3) 0.0364(17) Uani 1 1 d . U . . .
C21 C 0.0375(6) 0.2677(5) 0.6855(3) 0.0394(18) Uani 1 1 d . U . . .
H21 H -0.0158 0.2356 0.6957 0.047 Uiso 1 1 calc R U . . .
C22 C 0.1373(6) 0.2427(4) 0.6827(3) 0.0353(16) Uani 1 1 d . U . . .
H22 H 0.1545 0.1951 0.6927 0.042 Uiso 1 1 calc R U . . .
C23 C 0.6681(6) 0.1551(4) 0.6977(3) 0.0350(17) Uani 1 1 d . U . . .
C24 C 0.6771(6) 0.1084(4) 0.7438(3) 0.0414(19) Uani 1 1 d . U . . .
H24 H 0.6192 0.1011 0.7675 0.050 Uiso 1 1 calc R U . . .
C25 C 0.7675(7) 0.0721(5) 0.7562(4) 0.052(2) Uani 1 1 d . U . . .
H25 H 0.7714 0.0423 0.7887 0.062 Uiso 1 1 calc R U . . .
C26 C 0.8509(6) 0.0796(5) 0.7214(4) 0.052(2) Uani 1 1 d . U . . .
H26 H 0.9123 0.0543 0.7294 0.062 Uiso 1 1 calc R U . . .
C27 C 0.8459(6) 0.1230(5) 0.6756(4) 0.050(2) Uani 1 1 d . U . . .
H27 H 0.9038 0.1276 0.6515 0.060 Uiso 1 1 calc R U . . .
C28 C 0.7551(6) 0.1616(4) 0.6634(4) 0.0427(19) Uani 1 1 d . U . . .
H28 H 0.7532 0.1924 0.6314 0.051 Uiso 1 1 calc R U . . .
C29 C 0.3878(8) 0.3266(4) 0.9208(4) 0.049(2) Uani 1 1 d . U . . .
C30 C 0.4833(8) 0.3245(5) 0.9481(3) 0.054(2) Uani 1 1 d . U . . .
H30 H 0.5431 0.3347 0.9266 0.064 Uiso 1 1 calc R U . . .
C31 C 0.4944(11) 0.3084(5) 1.0050(4) 0.077(3) Uani 1 1 d . U . . .
H31 H 0.5600 0.3088 1.0225 0.092 Uiso 1 1 calc R U . . .
C32 C 0.4074(13) 0.2919(7) 1.0357(5) 0.106(4) Uani 1 1 d . U . . .
H32 H 0.4137 0.2786 1.0744 0.127 Uiso 1 1 calc R U . . .
C33 C 0.3111(12) 0.2943(7) 1.0111(5) 0.106(4) Uani 1 1 d . U . . .
H33 H 0.2518 0.2853 1.0334 0.127 Uiso 1 1 calc R U . . .
C34 C 0.3008(9) 0.3102(6) 0.9532(4) 0.074(3) Uani 1 1 d . U . . .
H34 H 0.2349 0.3098 0.9360 0.089 Uiso 1 1 calc R U . . .
C36 C 0.3668(5) 0.3854(4) 0.7590(3) 0.0335(17) Uani 1 1 d . U . . .
C38 C 0.3939(6) 0.2426(4) 0.6668(3) 0.0391(19) Uani 1 1 d . U . . .
C41 C 0.440(5) 0.151(4) 0.5410(18) 0.267(4) Uani 0.25 1 d G U P A -1
H41A H 0.4357 0.2032 0.5364 0.320 Uiso 0.25 1 calc R U P A -1
H41B H 0.5049 0.1389 0.5606 0.320 Uiso 0.25 1 calc R U P A -1
Cl39 Cl 0.3190(13) 0.1140(7) 0.5851(7) 0.125(3) Uani 0.25 1 d G U P A -1
Cl40 Cl 0.4339(18) 0.107(2) 0.4735(9) 0.267(5) Uani 0.25 1 d G U P A -1


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# 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
N35 C36 1.145(9) . ?
N35 C3 1.414(9) . ?
N37 C38 1.145(9) . ?
N37 C13 1.406(9) . ?
C3 C12 1.367(10) . ?
C3 C4 1.405(10) . ?
C4 C5 1.354(11) . ?
C5 C6 1.419(12) . ?
C6 C7 1.407(12) . ?
C6 C11 1.415(11) . ?
C7 C8 1.349(14) . ?
C8 C9 1.385(14) . ?
C9 C10 1.373(12) . ?
C10 C11 1.426(11) . ?
C11 C12 1.422(10) . ?
C12 C14 1.487(10) . ?
C13 C14 1.349(10) . ?
C13 C22 1.420(10) . ?
C14 C15 1.436(9) . ?
C15 C16 1.411(11) . ?
C15 C20 1.423(10) . ?
C16 C17 1.374(10) . ?
C17 C18 1.396(11) . ?
C18 C19 1.374(12) . ?
C19 C20 1.414(10) . ?
C20 C21 1.405(11) . ?
C21 C22 1.385(10) . ?
C23 C28 1.399(11) . ?
C23 C24 1.401(11) . ?
C24 C25 1.392(11) . ?
C25 C26 1.371(12) . ?
C26 C27 1.353(12) . ?
C27 C28 1.417(11) . ?
C29 C30 1.403(13) . ?
C29 C34 1.403(12) . ?
C30 C31 1.385(12) . ?
C31 C32 1.382(17) . ?
C32 C33 1.385(18) . ?
C33 C34 1.407(15) . ?
C41 Cl40 1.7903 . ?
C41 Cl39 2.0123 . ?

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
C36 N35 C3 176.8(8) . . ?
C38 N37 C13 171.6(7) . . ?
C12 C3 C4 124.1(7) . . ?
C12 C3 N35 118.9(7) . . ?
C4 C3 N35 117.0(7) . . ?
C5 C4 C3 117.5(8) . . ?
C4 C5 C6 122.4(8) . . ?
C7 C6 C11 119.9(9) . . ?
C7 C6 C5 121.9(9) . . ?
C11 C6 C5 118.2(8) . . ?
C8 C7 C6 120.2(9) . . ?
C7 C8 C9 121.4(9) . . ?
C10 C9 C8 120.5(10) . . ?
C9 C10 C11 120.0(9) . . ?
C6 C11 C12 120.1(8) . . ?
C6 C11 C10 117.9(7) . . ?
C12 C11 C10 122.0(8) . . ?
C3 C12 C11 117.5(7) . . ?
C3 C12 C14 122.1(6) . . ?
C11 C12 C14 120.4(7) . . ?
C14 C13 N37 119.7(7) . . ?
C14 C13 C22 125.2(7) . . ?
N37 C13 C22 115.1(7) . . ?
C13 C14 C15 117.6(7) . . ?
C13 C14 C12 122.0(6) . . ?
C15 C14 C12 120.4(7) . . ?
C16 C15 C20 118.4(7) . . ?
C16 C15 C14 122.3(7) . . ?
C20 C15 C14 119.2(7) . . ?
C17 C16 C15 121.5(8) . . ?
C16 C17 C18 119.9(8) . . ?
C19 C18 C17 120.3(8) . . ?
C18 C19 C20 121.1(8) . . ?
C21 C20 C19 121.8(7) . . ?
C21 C20 C15 119.5(7) . . ?
C19 C20 C15 118.7(7) . . ?
C22 C21 C20 121.8(7) . . ?
C21 C22 C13 116.3(7) . . ?
C28 C23 C24 115.9(7) . . ?
C28 C23 Au2 123.8(6) . . ?
C24 C23 Au2 120.2(6) . . ?
C25 C24 C23 122.6(8) . . ?
C26 C25 C24 119.7(9) . . ?
C27 C26 C25 120.1(8) . . ?
C26 C27 C28 120.6(8) . . ?
C23 C28 C27 121.0(8) . . ?
C30 C29 C34 117.5(9) . . ?
C30 C29 Au1 120.9(7) . . ?
C34 C29 Au1 121.6(8) . . ?
C31 C30 C29 123.0(10) . . ?
C32 C31 C30 118.2(12) . . ?
C31 C32 C33 121.1(11) . . ?
C32 C33 C34 120.1(12) . . ?
C29 C34 C33 120.0(12) . . ?
N35 C36 Au1 176.7(7) . . ?
N37 C38 Au2 176.3(7) . . ?
Cl40 C41 Cl39 105.7 . . ?

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================
_chemical_name_systematic        (rac)-1G
####################################################################### 
# 
# 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_MIN-030
_database_code_depnum_ccdc_archive 'CCDC 1472333'
_audit_update_record             
;
2016-04-05 deposited with the CCDC.
2016-05-06 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C34.5 H23 Au2 Cl N2'
_chemical_formula_moiety         'C34.5 H23 Au2 Cl N2'
_chemical_formula_weight         894.96
_chemical_melting_point          ?
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
_space_group_IT_number           19
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2+X,1/2-Y,-Z
3 -X,1/2+Y,1/2-Z
4 1/2-X,-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   13.3962(12)
_cell_length_b                   19.3637(16)
_cell_length_c                   22.587(2)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     5859.0(9)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    10148
_cell_measurement_theta_min      3.04
_cell_measurement_theta_max      27.47
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.362
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.036
_exptl_crystal_density_diffrn    2.029
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3352.00
_exptl_absorpt_coefficient_mu    10.157
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.145
_exptl_absorpt_correction_T_max  0.694

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            48846
_diffrn_reflns_av_R_equivalents  0.1505
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         3.041
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.000
_diffrn_reflns_Laue_measured_fraction_full 0.000
_diffrn_reflns_point_group_measured_fraction_max 0.000
_diffrn_reflns_point_group_measured_fraction_full 0.000
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             11381
_reflns_number_gt                8543
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0892
_refine_ls_R_factor_gt           0.0641
_refine_ls_wR_factor_ref         0.1380
_refine_ls_wR_factor_gt          0.1251
_refine_ls_number_restraints     588
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         11381
_refine_ls_number_parameters     554
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0415P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.67
_refine_diff_density_min         -1.74
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  5094 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.004(15)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Au Au -2.0133 8.8022
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.01106(4) 0.75785(3) 0.20754(3) 0.03842(18) Uani 1 1 d . . .
Au2 Au -0.16126(5) 0.58193(3) 0.35282(3) 0.04091(18) Uani 1 1 d . . .
Au3 Au -0.07280(4) 0.73155(3) 0.33532(3) 0.03925(18) Uani 1 1 d . . .
Au4 Au 0.09156(5) 0.63540(3) 0.13578(3) 0.04242(19) Uani 1 1 d . . .
N69 N -0.1773(9) 0.5520(6) 0.2181(7) 0.038(3) Uani 1 1 d U . .
N70 N -0.2038(10) 0.7045(6) 0.1817(7) 0.038(4) Uani 1 1 d . . .
N71 N 0.1391(10) 0.6656(6) 0.3464(7) 0.046(4) Uani 1 1 d U . .
N72 N 0.1181(9) 0.5519(6) 0.2514(7) 0.035(3) Uani 1 1 d U . .
C14 C 0.2596(8) 0.5734(6) 0.3455(7) 0.033(4) Uani 1 1 d DU . .
C24 C 0.1753(8) 0.5198(6) 0.3502(7) 0.032(3) Uani 1 1 d DU . .
C5 C 0.53582(17) 0.5830(2) 0.33221(18) 0.046(4) Uani 1 1 d GU . .
H5 H 0.5869 0.6169 0.3294 0.055 Uiso 1 1 calc R . .
C6 C 0.56032(18) 0.5133(2) 0.33209(19) 0.051(4) Uani 1 1 d GU . .
H6 H 0.6282 0.4995 0.3292 0.061 Uiso 1 1 calc R . .
C7 C 0.48551(19) 0.46376(19) 0.33617(18) 0.046(4) Uani 1 1 d GU . .
H7 H 0.5023 0.4161 0.3361 0.056 Uiso 1 1 calc R . .
C8 C 0.38621(19) 0.48400(16) 0.34036(16) 0.040(4) Uani 1 1 d GU . .
H8 H 0.3351 0.4502 0.3432 0.048 Uiso 1 1 calc R . .
C9 C 0.36173(17) 0.55375(16) 0.34047(15) 0.037(4) Uani 1 1 d GU . .
C10 C 0.43652(17) 0.60328(17) 0.33639(16) 0.037(3) Uani 1 1 d GU . .
C11 C 0.41204(17) 0.67303(17) 0.33651(16) 0.042(4) Uani 1 1 d GU . .
H11 H 0.4632 0.7069 0.3337 0.051 Uiso 1 1 calc R . .
C12 C 0.31275(18) 0.69327(15) 0.34070(14) 0.038(4) Uani 1 1 d GU . .
H12 H 0.2960 0.7409 0.3408 0.045 Uiso 1 1 calc R . .
C13 C 0.23794(17) 0.64375(13) 0.34477(13) 0.032(3) Uani 1 1 d GU . .
C15 C 0.0722(3) 0.39036(14) 0.45537(15) 0.047(4) Uani 1 1 d GU . .
H15 H 0.0202 0.3571 0.4571 0.056 Uiso 1 1 calc R . .
C16 C 0.1357(3) 0.39909(17) 0.50346(15) 0.049(4) Uani 1 1 d GU . .
H16 H 0.1271 0.3717 0.5380 0.059 Uiso 1 1 calc R . .
C17 C 0.2118(3) 0.44783(17) 0.50101(14) 0.049(4) Uani 1 1 d GU . .
H17 H 0.2552 0.4538 0.5339 0.059 Uiso 1 1 calc R . .
C18 C 0.2244(2) 0.48782(15) 0.45044(14) 0.048(4) Uani 1 1 d GU . .
H18 H 0.2764 0.5211 0.4488 0.058 Uiso 1 1 calc R . .
C19 C 0.1609(2) 0.47909(13) 0.40235(13) 0.041(3) Uani 1 1 d GU . .
C20 C 0.0848(2) 0.43035(13) 0.40482(14) 0.044(3) Uani 1 1 d GU . .
C21 C 0.0213(2) 0.42161(11) 0.35673(14) 0.042(3) Uani 1 1 d GU . .
H21 H -0.0307 0.3883 0.3584 0.051 Uiso 1 1 calc R . .
C22 C 0.03387(19) 0.46161(10) 0.30617(13) 0.038(3) Uani 1 1 d GU . .
H22 H -0.0095 0.4556 0.2733 0.046 Uiso 1 1 calc R . .
C23 C 0.10994(18) 0.51035(11) 0.30371(12) 0.036(3) Uani 1 1 d GU . .
C25 C -0.33170(17) 0.61989(13) 0.15220(13) 0.038(4) Uani 1 1 d GU . .
C26 C -0.30368(17) 0.68136(12) 0.17928(13) 0.037(4) Uani 1 1 d GU . .
C27 C -0.37497(17) 0.72212(14) 0.20716(14) 0.043(4) Uani 1 1 d GU . .
H27 H -0.3558 0.7641 0.2257 0.052 Uiso 1 1 calc R . .
C28 C -0.47430(17) 0.70140(16) 0.20797(15) 0.038(3) Uani 1 1 d GU . .
H28 H -0.5230 0.7293 0.2270 0.046 Uiso 1 1 calc R . .
C29 C -0.50234(17) 0.63994(17) 0.18090(16) 0.036(3) Uani 1 1 d GU . .
C30 C -0.43105(17) 0.59917(15) 0.15300(14) 0.037(3) Uani 1 1 d GU . .
C31 C -0.45908(19) 0.53771(16) 0.12592(15) 0.040(4) Uani 1 1 d GU . .
H31 H -0.4104 0.5099 0.1069 0.048 Uiso 1 1 calc R . .
C32 C -0.5584(2) 0.51699(19) 0.12672(17) 0.044(4) Uani 1 1 d GU . .
H32 H -0.5776 0.4750 0.1082 0.053 Uiso 1 1 calc R . .
C33 C -0.62972(18) 0.5578(2) 0.15461(18) 0.048(4) Uani 1 1 d GU . .
H33 H -0.6976 0.5436 0.1552 0.057 Uiso 1 1 calc R . .
C34 C -0.60169(17) 0.61922(19) 0.18170(17) 0.045(4) Uani 1 1 d GU . .
H34 H -0.6504 0.6471 0.2008 0.055 Uiso 1 1 calc R . .
C35 C -0.0949(2) 0.50340(13) 0.06951(12) 0.049(4) Uani 1 1 d GU . .
H35 H -0.0423 0.4774 0.0522 0.059 Uiso 1 1 calc R . .
C36 C -0.1043(2) 0.50652(11) 0.13073(12) 0.052(4) Uani 1 1 d GU . .
H36 H -0.0582 0.4827 0.1553 0.062 Uiso 1 1 calc R . .
C37 C -0.18123(18) 0.54456(11) 0.15608(12) 0.042(3) Uani 1 1 d GU . .
C38 C -0.24876(19) 0.57946(12) 0.12021(12) 0.033(3) Uani 1 1 d GU . .
C39 C -0.2394(2) 0.57633(14) 0.05897(12) 0.043(3) Uani 1 1 d GU . .
C40 C -0.1624(2) 0.53831(14) 0.03363(12) 0.045(3) Uani 1 1 d GU . .
C41 C -0.1531(3) 0.53518(17) -0.02761(12) 0.052(4) Uani 1 1 d GU . .
H41 H -0.1005 0.5092 -0.0449 0.063 Uiso 1 1 calc R . .
C42 C -0.2206(3) 0.57009(18) -0.06349(12) 0.058(4) Uani 1 1 d GU . .
H42 H -0.2142 0.5680 -0.1053 0.070 Uiso 1 1 calc R . .
C43 C -0.2975(3) 0.60811(18) -0.03814(12) 0.054(4) Uani 1 1 d GU . .
H43 H -0.3437 0.6320 -0.0627 0.064 Uiso 1 1 calc R . .
C44 C -0.3069(2) 0.61124(16) 0.02310(12) 0.041(3) Uani 1 1 d GU . .
H44 H -0.3595 0.6372 0.0404 0.050 Uiso 1 1 calc R . .
C45 C -0.2038(2) 0.78500(12) 0.32704(13) 0.045(4) Uani 1 1 d GU . .
C46 C -0.2891(2) 0.76541(14) 0.35781(13) 0.049(4) Uani 1 1 d GU . .
H46 H -0.2879 0.7257 0.3825 0.058 Uiso 1 1 calc R . .
C47 C -0.3762(2) 0.80395(16) 0.35248(15) 0.052(4) Uani 1 1 d GU . .
H47 H -0.4345 0.7906 0.3735 0.063 Uiso 1 1 calc R . .
C48 C -0.3780(2) 0.86208(15) 0.31641(16) 0.064(5) Uani 1 1 d GU . .
H48 H -0.4375 0.8884 0.3128 0.077 Uiso 1 1 calc R . .
C49 C -0.2927(2) 0.88168(13) 0.28563(16) 0.064(5) Uani 1 1 d GU . .
H49 H -0.2940 0.9214 0.2610 0.077 Uiso 1 1 calc R . .
C50 C -0.2056(2) 0.84314(11) 0.29095(14) 0.050(4) Uani 1 1 d GU . .
H50 H -0.1474 0.8565 0.2699 0.060 Uiso 1 1 calc R . .
C51 C -0.1442(2) 0.60192(15) 0.44164(11) 0.044(4) Uani 1 1 d GU . .
C52 C -0.0487(2) 0.60107(15) 0.46562(11) 0.045(4) Uani 1 1 d GU . .
H52 H 0.0069 0.5894 0.4414 0.054 Uiso 1 1 calc R . .
C53 C -0.0344(3) 0.61731(18) 0.52496(11) 0.054(4) Uani 1 1 d GU . .
H53 H 0.0309 0.6167 0.5414 0.064 Uiso 1 1 calc R . .
C54 C -0.1156(3) 0.6344(2) 0.56032(11) 0.056(4) Uani 1 1 d GU . .
H54 H -0.1059 0.6455 0.6009 0.067 Uiso 1 1 calc R . .
C55 C -0.2112(3) 0.6352(2) 0.53634(11) 0.052(4) Uani 1 1 d GU . .
H55 H -0.2667 0.6469 0.5605 0.062 Uiso 1 1 calc R . .
C56 C -0.2255(2) 0.61901(17) 0.47700(12) 0.048(4) Uani 1 1 d GU . .
H56 H -0.2908 0.6196 0.4606 0.057 Uiso 1 1 calc R . .
C57 C 0.1482(2) 0.80288(11) 0.22981(13) 0.042(4) Uani 1 1 d GU . .
C58 C 0.2290(2) 0.79596(13) 0.19168(14) 0.042(4) Uani 1 1 d GU . .
H58 H 0.2230 0.7687 0.1569 0.050 Uiso 1 1 calc R . .
C59 C 0.3186(2) 0.82896(15) 0.20442(16) 0.046(4) Uani 1 1 d GU . .
H59 H 0.3738 0.8242 0.1784 0.055 Uiso 1 1 calc R . .
C60 C 0.3273(2) 0.86893(15) 0.25527(17) 0.042(4) Uani 1 1 d GU . .
H60 H 0.3886 0.8915 0.2640 0.050 Uiso 1 1 calc R . .
C61 C 0.2465(2) 0.87586(13) 0.29340(16) 0.048(4) Uani 1 1 d GU . .
H61 H 0.2525 0.9032 0.3282 0.058 Uiso 1 1 calc R . .
C62 C 0.1569(2) 0.84285(11) 0.28067(14) 0.042(3) Uani 1 1 d GU . .
H62 H 0.1017 0.8476 0.3067 0.050 Uiso 1 1 calc R . .
C63 C 0.0602(2) 0.67959(15) 0.05360(11) 0.040(4) Uani 1 1 d G . .
C64 C 0.1355(2) 0.69102(17) 0.01240(12) 0.069(6) Uani 1 1 d G . .
H64 H 0.2031 0.6823 0.0227 0.083 Uiso 1 1 calc R . .
C65 C 0.1119(3) 0.71518(19) -0.04383(12) 0.076(6) Uani 1 1 d GU . .
H65 H 0.1633 0.7230 -0.0720 0.091 Uiso 1 1 calc R . .
C66 C 0.0129(3) 0.72790(19) -0.05886(11) 0.084(6) Uani 1 1 d GU . .
H66 H -0.0032 0.7444 -0.0973 0.100 Uiso 1 1 calc R . .
C67 C -0.0623(2) 0.71648(17) -0.01768(11) 0.069(5) Uani 1 1 d GU . .
H67 H -0.1300 0.7252 -0.0280 0.083 Uiso 1 1 calc R . .
C68 C -0.0387(2) 0.69231(14) 0.03856(11) 0.050(4) Uani 1 1 d GU . .
H68 H -0.0902 0.6845 0.0667 0.061 Uiso 1 1 calc R . .
C73 C 0.1171(12) 0.5837(8) 0.2093(10) 0.046(4) Uani 1 1 d U . .
C74 C 0.0589(13) 0.6888(8) 0.3461(9) 0.055(5) Uani 1 1 d U . .
C75 C -0.1242(14) 0.7245(8) 0.1879(9) 0.052(5) Uani 1 1 d . . .
C76 C -0.1734(12) 0.5635(8) 0.2682(8) 0.041(4) Uani 1 1 d U . .
C79 C 0.3364(10) 0.6454(19) 0.5112(17) 0.103(4) Uani 0.50 1 d PGU A 1
H79A H 0.3243 0.5953 0.5057 0.123 Uiso 0.50 1 calc PR A 1
H79B H 0.3366 0.6524 0.5547 0.123 Uiso 0.50 1 calc PR A 1
Cl77 Cl 0.4653(9) 0.6545(10) 0.4920(9) 0.146(7) Uani 0.50 1 d PGU A 1
Cl78 Cl 0.2495(9) 0.6737(6) 0.4946(6) 0.103(4) Uani 0.50 1 d PGU A 1
C80 C 0.3992(13) 0.7069(12) 0.515(3) 0.142(9) Uani 0.50 1 d PGU B 2
H80A H 0.3644 0.7193 0.4778 0.170 Uiso 0.50 1 calc PR B 2
H80B H 0.3872 0.7433 0.5449 0.170 Uiso 0.50 1 calc PR B 2
Cl81 Cl 0.5370(10) 0.6926(6) 0.5022(8) 0.118(5) Uani 0.50 1 d PGU B 2
Cl82 Cl 0.3552(11) 0.6102(8) 0.5456(9) 0.164(7) Uani 0.50 1 d PGU B 2


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# 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 C75 1.974(19) . ?
Au1 C57 2.094(2) . ?
Au1 Au4 3.0680(9) . ?
Au1 Au3 3.1386(10) . ?
Au2 C76 1.952(19) . ?
Au2 C51 2.056(3) . ?
Au2 Au3 3.1552(9) . ?
Au3 C74 1.965(18) . ?
Au3 C45 2.047(2) . ?
Au4 C73 1.97(2) . ?
Au4 C63 2.087(3) . ?
N69 C76 1.15(2) . ?
N69 C37 1.409(15) . ?
N70 C75 1.143(19) . ?
N70 C26 1.412(13) . ?
N71 C74 1.164(19) . ?
N71 C13 1.390(13) . ?
N72 C73 1.13(2) . ?
N72 C23 1.434(15) . ?
C14 C13 1.393(12) . ?
C14 C9 1.424(12) . ?
C14 C24 1.5379(10) . ?
C24 C23 1.380(15) . ?
C24 C19 1.430(15) . ?
C5 C6 1.3899 . ?
C5 C10 1.3900 . ?
C6 C7 1.3901 . ?
C7 C8 1.3900 . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C11 C12 1.3900 . ?
C12 C13 1.3900 . ?
C15 C20 1.3898 . ?
C15 C16 1.3899 . ?
C16 C17 1.3902 . ?
C17 C18 1.3900 . ?
C18 C19 1.3901 . ?
C19 C20 1.3902 . ?
C20 C21 1.3902 . ?
C21 C22 1.3900 . ?
C22 C23 1.3900 . ?
C25 C26 1.3898 . ?
C25 C30 1.3902 . ?
C25 C38 1.5394 . ?
C26 C27 1.3899 . ?
C27 C28 1.3900 . ?
C28 C29 1.3898 . ?
C29 C30 1.3902 . ?
C29 C34 1.3902 . ?
C30 C31 1.3898 . ?
C31 C32 1.3901 . ?
C32 C33 1.3900 . ?
C33 C34 1.3897 . ?
C35 C40 1.3899 . ?
C35 C36 1.3899 . ?
C36 C37 1.3901 . ?
C37 C38 1.3899 . ?
C38 C39 1.3900 . ?
C39 C44 1.3899 . ?
C39 C40 1.3900 . ?
C40 C41 1.3902 . ?
C41 C42 1.3900 . ?
C42 C43 1.3899 . ?
C43 C44 1.3901 . ?
C45 C50 1.3901 . ?
C45 C46 1.3901 . ?
C46 C47 1.3900 . ?
C47 C48 1.3897 . ?
C48 C49 1.3900 . ?
C49 C50 1.3899 . ?
C51 C56 1.3900 . ?
C51 C52 1.3901 . ?
C52 C53 1.3900 . ?
C53 C54 1.3900 . ?
C54 C55 1.3899 . ?
C55 C56 1.3900 . ?
C57 C62 1.3900 . ?
C57 C58 1.3901 . ?
C58 C59 1.3899 . ?
C59 C60 1.3899 . ?
C60 C61 1.3902 . ?
C61 C62 1.3898 . ?
C63 C68 1.3898 . ?
C63 C64 1.3901 . ?
C64 C65 1.3899 . ?
C65 C66 1.3900 . ?
C66 C67 1.3899 . ?
C67 C68 1.3902 . ?
C79 Cl78 1.3409 . ?
C79 Cl77 1.7888 . ?
C80 Cl81 1.8894 . ?
C80 Cl82 2.0817 . ?

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
C75 Au1 C57 174.3(5) . . ?
C75 Au1 Au4 87.2(5) . . ?
C57 Au1 Au4 98.07(8) . . ?
C75 Au1 Au3 79.9(6) . . ?
C57 Au1 Au3 99.24(9) . . ?
Au4 Au1 Au3 119.10(3) . . ?
C76 Au2 C51 178.4(5) . . ?
C76 Au2 Au3 94.4(5) . . ?
C51 Au2 Au3 84.70(8) . . ?
C74 Au3 C45 174.3(5) . . ?
C74 Au3 Au1 82.0(6) . . ?
C45 Au3 Au1 98.10(9) . . ?
C74 Au3 Au2 86.2(5) . . ?
C45 Au3 Au2 98.84(8) . . ?
Au1 Au3 Au2 113.49(3) . . ?
C73 Au4 C63 173.6(5) . . ?
C73 Au4 Au1 90.5(5) . . ?
C63 Au4 Au1 94.72(9) . . ?
C76 N69 C37 174.7(14) . . ?
C75 N70 C26 175.0(17) . . ?
C74 N71 C13 174.7(15) . . ?
C73 N72 C23 174.8(14) . . ?
C13 C14 C9 117.5(7) . . ?
C13 C14 C24 120.5(9) . . ?
C9 C14 C24 122.0(9) . . ?
C23 C24 C19 117.9(7) . . ?
C23 C24 C14 120.2(12) . . ?
C19 C24 C14 121.9(12) . . ?
C6 C5 C10 120.0 . . ?
C5 C6 C7 120.0 . . ?
C8 C7 C6 120.0 . . ?
C7 C8 C9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 C14 120.9(4) . . ?
C8 C9 C14 119.1(4) . . ?
C11 C10 C9 120.0 . . ?
C11 C10 C5 120.0 . . ?
C9 C10 C5 120.0 . . ?
C10 C11 C12 120.0 . . ?
C11 C12 C13 120.0 . . ?
C12 C13 N71 118.6(5) . . ?
C12 C13 C14 121.7(4) . . ?
N71 C13 C14 119.8(7) . . ?
C20 C15 C16 120.0 . . ?
C15 C16 C17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C17 C18 C19 120.0 . . ?
C18 C19 C20 120.0 . . ?
C18 C19 C24 119.6(5) . . ?
C20 C19 C24 120.4(5) . . ?
C15 C20 C21 120.0 . . ?
C15 C20 C19 120.0 . . ?
C21 C20 C19 120.0 . . ?
C22 C21 C20 120.0 . . ?
C23 C22 C21 120.0 . . ?
C24 C23 C22 121.7(5) . . ?
C24 C23 N72 120.3(7) . . ?
C22 C23 N72 118.0(5) . . ?
C26 C25 C30 120.0 . . ?
C26 C25 C38 116.6 . . ?
C30 C25 C38 123.4 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 N70 123.1(5) . . ?
C27 C26 N70 116.9(5) . . ?
C26 C27 C28 120.0 . . ?
C29 C28 C27 120.0 . . ?
C28 C29 C30 120.0 . . ?
C28 C29 C34 120.0 . . ?
C30 C29 C34 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 C25 120.0 . . ?
C29 C30 C25 120.0 . . ?
C30 C31 C32 120.0 . . ?
C33 C32 C31 120.0 . . ?
C34 C33 C32 120.0 . . ?
C33 C34 C29 120.0 . . ?
C40 C35 C36 120.0 . . ?
C35 C36 C37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C38 C37 N69 123.7(5) . . ?
C36 C37 N69 115.9(5) . . ?
C37 C38 C39 120.0 . . ?
C37 C38 C25 116.3 . . ?
C39 C38 C25 123.7 . . ?
C44 C39 C40 120.0 . . ?
C44 C39 C38 120.0 . . ?
C40 C39 C38 120.0 . . ?
C35 C40 C39 120.0 . . ?
C35 C40 C41 120.0 . . ?
C39 C40 C41 120.0 . . ?
C42 C41 C40 120.0 . . ?
C43 C42 C41 120.0 . . ?
C42 C43 C44 120.0 . . ?
C39 C44 C43 120.0 . . ?
C50 C45 C46 120.0 . . ?
C50 C45 Au3 118.56(7) . . ?
C46 C45 Au3 121.42(7) . . ?
C47 C46 C45 120.0 . . ?
C48 C47 C46 120.0 . . ?
C47 C48 C49 120.0 . . ?
C50 C49 C48 120.0 . . ?
C49 C50 C45 120.0 . . ?
C56 C51 C52 120.0 . . ?
C56 C51 Au2 121.24(7) . . ?
C52 C51 Au2 118.70(7) . . ?
C53 C52 C51 120.0 . . ?
C54 C53 C52 120.0 . . ?
C55 C54 C53 120.0 . . ?
C54 C55 C56 120.0 . . ?
C55 C56 C51 120.0 . . ?
C62 C57 C58 120.0 . . ?
C62 C57 Au1 120.29(8) . . ?
C58 C57 Au1 119.62(8) . . ?
C59 C58 C57 120.0 . . ?
C58 C59 C60 120.0 . . ?
C59 C60 C61 120.0 . . ?
C62 C61 C60 120.0 . . ?
C61 C62 C57 120.0 . . ?
C68 C63 C64 120.0 . . ?
C68 C63 Au4 118.82(7) . . ?
C64 C63 Au4 120.97(7) . . ?
C65 C64 C63 120.0 . . ?
C64 C65 C66 120.0 . . ?
C67 C66 C65 120.0 . . ?
C66 C67 C68 120.0 . . ?
C63 C68 C67 120.0 . . ?
N72 C73 Au4 170.5(15) . . ?
N71 C74 Au3 172.8(19) . . ?
N70 C75 Au1 174.1(18) . . ?
N69 C76 Au2 177.8(14) . . ?
Cl78 C79 Cl77 136.8 . . ?
Cl81 C80 Cl82 101.2 . . ?

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_chemical_name_systematic        (S)-1G
_chemical_name_common            '(S)-binaphtyl gold(I)-isocyanide complex'
