# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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 1417819'
_audit_update_record             
;
2015-08-09 deposited with the CCDC.
2015-09-25 downloaded from the CCDC.
;

_audit_creation_date             2015-05-14T15:59:43-00:00
_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_sum            'C24 H26 Au Cl N2'
_chemical_formula_weight         574.88

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

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_Int_Tables_number      60
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   15.6786(6)
_cell_length_b                   18.9401(7)
_cell_length_c                   7.1383(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2119.75(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    140(2)
_cell_measurement_reflns_used    13907
_cell_measurement_theta_min      3.0435
_cell_measurement_theta_max      32.6665

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

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1120
_exptl_special_details           
;
 ?
;

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

_exptl_absorpt_coefficient_mu    7.078
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
        (compiled Sep 14 2012,17:21:16)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.17011
_exptl_absorpt_correction_T_max  1

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

_diffrn_ambient_temperature      140(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 16.005
_diffrn_orient_matrix_ub_11      0.006705
_diffrn_orient_matrix_ub_12      0.0205372
_diffrn_orient_matrix_ub_13      -0.0819144
_diffrn_orient_matrix_ub_21      -0.0225199
_diffrn_orient_matrix_ub_22      0.0284514
_diffrn_orient_matrix_ub_23      0.0413666
_diffrn_orient_matrix_ub_31      0.0386432
_diffrn_orient_matrix_ub_32      0.0130323
_diffrn_orient_matrix_ub_33      0.0383158
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_unetI/netI     0.0507
_diffrn_reflns_number            41012
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         3.315
_diffrn_reflns_theta_max         32.741
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.947
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.947
_reflns_Friedel_coverage         0
_reflns_number_total             3713
_reflns_number_gt                2912
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
        (compiled Sep 14 2012,17:21:16)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
        (compiled Sep 14 2012,17:21:16)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
        (compiled Sep 14 2012,17:21:16)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'

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

_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)+(0.0303P)²+5.0985P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         3713
_refine_ls_number_parameters     140
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0286
_refine_ls_wR_factor_ref         0.0705
_refine_ls_wR_factor_gt          0.0648
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.324
_refine_diff_density_min         -2.686
_refine_diff_density_rms         0.156

#----------------------------------------------------------------------------#
#                   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'
N N 0.0061 0.0033 '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'
Au Au -2.0133 8.8022 '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 0.07466(2) 0.25 0.01194(5) Uani 1 2 d S T P . .
N1 N 0 -0.02944(18) 0.25 0.0121(6) Uani 1 2 d S T P . .
N2 N 0 -0.1729(2) 0.25 0.0194(7) Uani 1 2 d S T P . .
Cl1 Cl 0 0.19426(5) 0.25 0.0214(2) Uani 1 2 d S T P . .
C1 C 0.07287(19) -0.06317(16) 0.2986(4) 0.0148(5) Uani 1 1 d . . . . .
C2 C 0.0700(2) -0.13683(16) 0.2962(5) 0.0185(6) Uani 1 1 d . . . . .
H2 H 0.119 -0.1618 0.328 0.022 Uiso 1 1 calc R U . . .
C3 C 0.14294(17) -0.01565(15) 0.3439(4) 0.0147(5) Uani 1 1 d . . . . .
C4 C 0.12564(17) 0.05805(16) 0.3299(4) 0.0142(5) Uani 1 1 d . . . . .
C5 C 0.19095(18) 0.10535(16) 0.3658(4) 0.0171(5) Uani 1 1 d . . . . .
H5 H 0.1801 0.1535 0.355 0.02 Uiso 1 1 calc R U . . .
C6 C 0.27300(19) 0.08312(16) 0.4180(4) 0.0186(6) Uani 1 1 d . . . . .
C7 C 0.28733(18) 0.01046(16) 0.4359(5) 0.0192(6) Uani 1 1 d . . . . .
H7 H 0.3409 -0.0054 0.4729 0.023 Uiso 1 1 calc R U . . .
C8 C 0.22354(18) -0.03846(16) 0.3996(4) 0.0178(5) Uani 1 1 d . . . . .
H8 H 0.2346 -0.0865 0.4126 0.021 Uiso 1 1 calc R U . . .
C10 C 0.34392(19) 0.13762(17) 0.4456(5) 0.0231(6) Uani 1 1 d . . . . .
C11 C 0.3695(2) 0.1656(2) 0.2509(5) 0.0316(8) Uani 1 1 d . . . . .
H11A H 0.3207 0.1868 0.1918 0.047 Uiso 1 1 calc R U . . .
H11B H 0.3898 0.1273 0.1753 0.047 Uiso 1 1 calc R U . . .
H11C H 0.4137 0.2003 0.2643 0.047 Uiso 1 1 calc R U . . .
C12A C 0.3105(13) 0.2031(10) 0.5469(16) 0.027(2) Uani 0.6 1 d . . P A 1
H12A H 0.2856 0.1895 0.6642 0.041 Uiso 0.6 1 calc R U P A 1
H12B H 0.2682 0.2259 0.4707 0.041 Uiso 0.6 1 calc R U P A 1
H12C H 0.3568 0.2352 0.5693 0.041 Uiso 0.6 1 calc R U P A 1
C13A C 0.4186(15) 0.1088(17) 0.553(3) 0.030(3) Uani 0.6 1 d . . P A 1
H13A H 0.4597 0.1457 0.5727 0.045 Uiso 0.6 1 calc R U P A 1
H13B H 0.4443 0.071 0.4839 0.045 Uiso 0.6 1 calc R U P A 1
H13C H 0.3994 0.0914 0.6724 0.045 Uiso 0.6 1 calc R U P A 1
C13B C 0.430(3) 0.103(3) 0.517(6) 0.030(3) Uani 0.4 1 d . . P A 2
H13D H 0.4723 0.1387 0.5354 0.045 Uiso 0.4 1 calc R U P A 2
H13E H 0.4501 0.0694 0.4258 0.045 Uiso 0.4 1 calc R U P A 2
H13F H 0.4199 0.0788 0.6336 0.045 Uiso 0.4 1 calc R U P A 2
C12B C 0.314(2) 0.1936(17) 0.592(3) 0.027(2) Uani 0.4 1 d . . P A 2
H12D H 0.3079 0.1717 0.7125 0.041 Uiso 0.4 1 calc R U P A 2
H12E H 0.2596 0.2127 0.5539 0.041 Uiso 0.4 1 calc R U P A 2
H12F H 0.3549 0.231 0.5995 0.041 Uiso 0.4 1 calc R U P A 2



#----------------------------------------------------------------------------#
#                   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 N1 1.972(3) . ?
Au1 C4 2.075(3) . ?
Au1 C4 2.075(3) 3 ?
Au1 Cl1 2.2651(11) . ?
N1 C1 1.354(3) . ?
N1 C1 1.354(3) 3 ?
N2 C2 1.334(4) . ?
N2 C2 1.334(4) 3 ?
C1 C2 1.396(4) . ?
C1 C3 1.456(4) . ?
C2 H2 0.93 . ?
C3 C8 1.393(4) . ?
C3 C4 1.426(4) . ?
C4 C5 1.384(4) . ?
C5 C6 1.404(4) . ?
C5 H5 0.93 . ?
C6 C7 1.400(4) . ?
C6 C10 1.530(4) . ?
C7 C8 1.388(4) . ?
C7 H7 0.93 . ?
C8 H8 0.93 . ?
C10 C13A 1.50(3) . ?
C10 C12A 1.53(2) . ?
C10 C11 1.541(5) . ?
C10 C13B 1.59(5) . ?
C10 C12B 1.56(3) . ?
C11 H11A 0.96 . ?
C11 H11B 0.96 . ?
C11 H11C 0.96 . ?
C12A H12A 0.96 . ?
C12A H12B 0.96 . ?
C12A H12C 0.96 . ?
C13A H13A 0.96 . ?
C13A H13B 0.96 . ?
C13A H13C 0.96 . ?
C13B H13D 0.96 . ?
C13B H13E 0.96 . ?
C13B H13F 0.96 . ?
C12B H12D 0.96 . ?
C12B H12E 0.96 . ?
C12B H12F 0.96 . ?

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 Au1 C4 81.28(8) . . ?
N1 Au1 C4 81.28(8) . 3 ?
C4 Au1 C4 162.56(16) . 3 ?
N1 Au1 Cl1 180 . . ?
C4 Au1 Cl1 98.72(8) . . ?
C4 Au1 Cl1 98.72(8) 3 . ?
C1 N1 C1 123.7(4) . 3 ?
C1 N1 Au1 118.15(18) . . ?
C1 N1 Au1 118.15(18) 3 . ?
C2 N2 C2 118.4(4) . 3 ?
N1 C1 C2 116.2(3) . . ?
N1 C1 C3 113.7(3) . . ?
C2 C1 C3 130.1(3) . . ?
N2 C2 C1 122.8(3) . . ?
N2 C2 H2 118.6 . . ?
C1 C2 H2 118.6 . . ?
C8 C3 C4 119.7(3) . . ?
C8 C3 C1 123.8(3) . . ?
C4 C3 C1 116.5(2) . . ?
C5 C4 C3 118.7(3) . . ?
C5 C4 Au1 130.9(2) . . ?
C3 C4 Au1 110.4(2) . . ?
C4 C5 C6 122.2(3) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C7 C6 C5 117.8(3) . . ?
C7 C6 C10 122.3(3) . . ?
C5 C6 C10 119.9(3) . . ?
C8 C7 C6 121.6(3) . . ?
C8 C7 H7 119.2 . . ?
C6 C7 H7 119.2 . . ?
C7 C8 C3 120.0(3) . . ?
C7 C8 H8 120 . . ?
C3 C8 H8 120 . . ?
C13A C10 C12A 108.6(11) . . ?
C13A C10 C6 112.8(12) . . ?
C12A C10 C6 111.1(8) . . ?
C13A C10 C11 112.6(8) . . ?
C12A C10 C11 103.7(5) . . ?
C6 C10 C11 107.7(3) . . ?
C6 C10 C13B 112.2(19) . . ?
C11 C10 C13B 102.3(13) . . ?
C6 C10 C12B 108.9(12) . . ?
C11 C10 C12B 116.6(8) . . ?
C13B C10 C12B 109.0(17) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12A H12A 109.5 . . ?
C10 C12A H12B 109.5 . . ?
H12A C12A H12B 109.5 . . ?
C10 C12A H12C 109.5 . . ?
H12A C12A H12C 109.5 . . ?
H12B C12A H12C 109.5 . . ?
C10 C13A H13A 109.5 . . ?
C10 C13A H13B 109.5 . . ?
H13A C13A H13B 109.5 . . ?
C10 C13A H13C 109.5 . . ?
H13A C13A H13C 109.5 . . ?
H13B C13A H13C 109.5 . . ?
C10 C13B H13D 109.5 . . ?
C10 C13B H13E 109.5 . . ?
H13D C13B H13E 109.5 . . ?
C10 C13B H13F 109.5 . . ?
H13D C13B H13F 109.5 . . ?
H13E C13B H13F 109.5 . . ?
C10 C12B H12D 109.5 . . ?
C10 C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C10 C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?


# END of CIF
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_chemical_properties_physical    Light-sensitive
_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
_database_code_depnum_ccdc_archive 'CCDC 1417820'
_audit_update_record             
;
2015-08-09 deposited with the CCDC.
2015-09-25 downloaded from the CCDC.
;

_audit_creation_date             2015-06-01T09:20:07-00:00
_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_analytical     'C29 H33 Au N4'
_chemical_formula_sum            'C29 H33 Au N4'
_chemical_formula_weight         634.56

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

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.4846(7)
_cell_length_b                   21.4472(15)
_cell_length_c                   11.2718(8)
_cell_angle_alpha                90.0000(10)
_cell_angle_beta                 94.619(2)
_cell_angle_gamma                90.0000(10)
_cell_volume                     2526.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    31266
_cell_measurement_theta_min      2.6
_cell_measurement_theta_max      27.5

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

_exptl_crystal_description       Needle
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_F_000             1256
_exptl_special_details           
;
 ?
;

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

_exptl_absorpt_coefficient_mu    5.847
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
        (compiled Sep 14 2012,17:21:16)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.617
_exptl_absorpt_correction_T_max  1

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

_diffrn_source                   'Rotating Anode'
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_ub_11      -0.095031
_diffrn_orient_matrix_ub_12      -0.002971
_diffrn_orient_matrix_ub_13      0.010802
_diffrn_orient_matrix_ub_21      -0.005079
_diffrn_orient_matrix_ub_22      0.027912
_diffrn_orient_matrix_ub_23      -0.037002
_diffrn_orient_matrix_ub_31      -0.010928
_diffrn_orient_matrix_ub_32      -0.071234
_diffrn_orient_matrix_ub_33      -0.052235
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  'Rigaku AFC12 (Right)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroMesh'
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_unetI/netI     0.0341
_diffrn_reflns_number            33543
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.626
_diffrn_reflns_theta_max         27.503
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_reflns_Friedel_coverage         0
_reflns_number_total             5760
_reflns_number_gt                5158
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_data_collection       
;
        CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_cell_refinement       
;
        CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_data_reduction        
;
        CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'

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

_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)+(0.0354P)²+0.7422P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         5760
_refine_ls_number_parameters     315
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0247
_refine_ls_wR_factor_ref         0.0622
_refine_ls_wR_factor_gt          0.0596
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.359
_refine_diff_density_min         -0.883
_refine_diff_density_rms         0.119

#----------------------------------------------------------------------------#
#                   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'
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'

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
C1 C 0.3483(3) 0.43093(12) 0.5603(3) 0.0184(6) Uani 1 1 d . . . . .
C2 C 0.3128(3) 0.37045(14) 0.5267(3) 0.0229(6) Uani 1 1 d . . . . .
H2 H 0.3653 0.3375 0.5533 0.028 Uiso 1 1 calc R U . . .
C3 C 0.1331(3) 0.40615(13) 0.4173(3) 0.0209(6) Uani 1 1 d . . . . .
H3 H 0.0576 0.3977 0.371 0.025 Uiso 1 1 calc R U . . .
C4 C 0.1653(3) 0.46804(14) 0.4419(2) 0.0178(6) Uani 1 1 d . . . . .
C5 C 0.4543(3) 0.45307(13) 0.6426(3) 0.0188(6) Uani 1 1 d . . . . .
C6 C 0.4606(3) 0.51816(12) 0.6653(2) 0.0184(6) Uani 1 1 d . . . . .
C7 C 0.5534(3) 0.53971(13) 0.7497(3) 0.0198(6) Uani 1 1 d . . . . .
H7 H 0.559 0.5823 0.7645 0.024 Uiso 1 1 calc R U . . .
C8 C 0.6400(3) 0.49926(13) 0.8146(2) 0.0190(6) Uani 1 1 d . . . . .
C9 C 0.6349(3) 0.43614(12) 0.7852(3) 0.0212(6) Uani 1 1 d . . . . .
H9 H 0.6941 0.409 0.8233 0.025 Uiso 1 1 calc R U . . .
C10 C 0.5439(3) 0.41271(13) 0.7006(3) 0.0208(6) Uani 1 1 d . . . . .
H10 H 0.5425 0.3704 0.6825 0.025 Uiso 1 1 calc R U . . .
C11 C 0.7299(3) 0.52444(13) 0.9183(3) 0.0213(6) Uani 1 1 d . . . . .
C12 C 0.8249(3) 0.47474(15) 0.9686(3) 0.0263(6) Uani 1 1 d . . . . .
H12A H 0.8795 0.4924 1.0324 0.039 Uiso 1 1 calc R U . . .
H12B H 0.876 0.4607 0.9068 0.039 Uiso 1 1 calc R U . . .
H12C H 0.7786 0.4401 0.9979 0.039 Uiso 1 1 calc R U . . .
C13 C 0.6483(3) 0.54512(16) 1.0185(3) 0.0268(7) Uani 1 1 d . . . . .
H13A H 0.6053 0.5096 1.0483 0.04 Uiso 1 1 calc R U . . .
H13B H 0.5862 0.5752 0.9881 0.04 Uiso 1 1 calc R U . . .
H13C H 0.7025 0.5635 1.0818 0.04 Uiso 1 1 calc R U . . .
C14 C 0.8072(3) 0.58046(16) 0.8788(3) 0.0292(7) Uani 1 1 d . . . . .
H14A H 0.8602 0.5962 0.9456 0.044 Uiso 1 1 calc R U . . .
H14B H 0.7496 0.6126 0.8487 0.044 Uiso 1 1 calc R U . . .
H14C H 0.86 0.5677 0.8175 0.044 Uiso 1 1 calc R U . . .
C15 C 0.1025(3) 0.52596(13) 0.3997(2) 0.0181(6) Uani 1 1 d . . . . .
C16 C 0.1616(3) 0.58256(15) 0.4410(2) 0.0178(6) Uani 1 1 d . . . . .
C17 C 0.1128(3) 0.63821(13) 0.3972(2) 0.0200(6) Uani 1 1 d . . . . .
H17 H 0.1526 0.6751 0.423 0.024 Uiso 1 1 calc R U . . .
C18 C 0.0054(3) 0.64141(13) 0.3151(3) 0.0197(6) Uani 1 1 d . . . . .
C19 C -0.0542(3) 0.58511(14) 0.2799(3) 0.0217(6) Uani 1 1 d . . . . .
H19 H -0.1276 0.5859 0.2278 0.026 Uiso 1 1 calc R U . . .
C20 C -0.0059(3) 0.52834(14) 0.3212(3) 0.0217(6) Uani 1 1 d . . . . .
H20 H -0.0465 0.4916 0.296 0.026 Uiso 1 1 calc R U . . .
C21 C -0.0379(3) 0.70400(13) 0.2604(3) 0.0229(6) Uani 1 1 d . . . . .
C22 C 0.0603(3) 0.72280(15) 0.1725(3) 0.0323(7) Uani 1 1 d . . . . .
H22A H 0.1434 0.7266 0.2144 0.048 Uiso 1 1 calc R U . . .
H22B H 0.036 0.762 0.1365 0.048 Uiso 1 1 calc R U . . .
H22C H 0.0629 0.6915 0.1119 0.048 Uiso 1 1 calc R U . . .
C23 C -0.0433(3) 0.75443(14) 0.3566(3) 0.0308(7) Uani 1 1 d . . . . .
H23A H -0.1034 0.7423 0.4122 0.046 Uiso 1 1 calc R U . . .
H23B H -0.0697 0.7933 0.32 0.046 Uiso 1 1 calc R U . . .
H23C H 0.0399 0.7593 0.3977 0.046 Uiso 1 1 calc R U . . .
C24 C -0.1706(3) 0.70015(14) 0.1931(3) 0.0299(7) Uani 1 1 d . . . . .
H24A H -0.1678 0.6719 0.1273 0.045 Uiso 1 1 calc R U . . .
H24B H -0.1957 0.7407 0.1639 0.045 Uiso 1 1 calc R U . . .
H24C H -0.2315 0.6854 0.2458 0.045 Uiso 1 1 calc R U . . .
C25 C 0.3488(3) 0.67737(13) 0.7150(3) 0.0225(6) Uani 1 1 d . . . . .
C26 C 0.4021(3) 0.73596(14) 0.7120(3) 0.0269(7) Uani 1 1 d . . . . .
H26 H 0.4083 0.7653 0.773 0.032 Uiso 1 1 calc R U . . .
C27 C 0.4451(3) 0.74236(13) 0.5986(3) 0.0248(6) Uani 1 1 d . . . . .
C28 C 0.2823(3) 0.64471(15) 0.8087(3) 0.0303(7) Uani 1 1 d . . . . .
H28A H 0.1981 0.6327 0.7771 0.045 Uiso 1 1 calc R U . . .
H28B H 0.2758 0.6721 0.8753 0.045 Uiso 1 1 calc R U . . .
H28C H 0.33 0.6082 0.8341 0.045 Uiso 1 1 calc R U . . .
C29 C 0.5112(3) 0.79600(15) 0.5456(3) 0.0329(7) Uani 1 1 d . . . . .
H29A H 0.5946 0.8012 0.5862 0.049 Uiso 1 1 calc R U . . .
H29B H 0.4621 0.8333 0.5538 0.049 Uiso 1 1 calc R U . . .
H29C H 0.5195 0.788 0.4628 0.049 Uiso 1 1 calc R U . . .
Au1 Au 0.31887(2) 0.56413(2) 0.55916(2) 0.01642(5) Uani 1 1 d . . . . .
N1 N 0.2728(2) 0.47736(11) 0.5140(2) 0.0177(5) Uani 1 1 d . . . . .
N2 N 0.2067(2) 0.35816(11) 0.4580(2) 0.0221(5) Uani 1 1 d . . . . .
N3 N 0.3612(2) 0.65142(11) 0.6078(2) 0.0199(5) Uani 1 1 d . . . . .
N4 N 0.4198(2) 0.69033(11) 0.5338(2) 0.0224(5) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   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
C1 N1 1.350(4) . ?
C1 C2 1.393(4) . ?
C1 C5 1.468(4) . ?
C2 N2 1.330(4) . ?
C2 H2 0.93 . ?
C3 N2 1.345(4) . ?
C3 C4 1.392(4) . ?
C3 H3 0.93 . ?
C4 N1 1.351(3) . ?
C4 C15 1.467(4) . ?
C5 C10 1.400(4) . ?
C5 C6 1.420(4) . ?
C6 C7 1.385(4) . ?
C6 Au1 2.080(3) . ?
C7 C8 1.416(4) . ?
C7 H7 0.93 . ?
C8 C9 1.394(4) . ?
C8 C11 1.539(4) . ?
C9 C10 1.387(4) . ?
C9 H9 0.93 . ?
C10 H10 0.93 . ?
C11 C14 1.535(4) . ?
C11 C12 1.535(4) . ?
C11 C13 1.537(4) . ?
C12 H12A 0.96 . ?
C12 H12B 0.96 . ?
C12 H12C 0.96 . ?
C13 H13A 0.96 . ?
C13 H13B 0.96 . ?
C13 H13C 0.96 . ?
C14 H14A 0.96 . ?
C14 H14B 0.96 . ?
C14 H14C 0.96 . ?
C15 C20 1.384(4) . ?
C15 C16 1.424(4) . ?
C16 C17 1.375(4) . ?
C16 Au1 2.073(3) . ?
C17 C18 1.400(4) . ?
C17 H17 0.93 . ?
C18 C19 1.402(4) . ?
C18 C21 1.531(4) . ?
C19 C20 1.385(4) . ?
C19 H19 0.93 . ?
C20 H20 0.93 . ?
C21 C24 1.533(4) . ?
C21 C23 1.535(4) . ?
C21 C22 1.539(4) . ?
C22 H22A 0.96 . ?
C22 H22B 0.96 . ?
C22 H22C 0.96 . ?
C23 H23A 0.96 . ?
C23 H23B 0.96 . ?
C23 H23C 0.96 . ?
C24 H24A 0.96 . ?
C24 H24B 0.96 . ?
C24 H24C 0.96 . ?
C25 N3 1.346(4) . ?
C25 C26 1.377(4) . ?
C25 C28 1.487(4) . ?
C26 C27 1.396(5) . ?
C26 H26 0.93 . ?
C27 N4 1.349(4) . ?
C27 C29 1.492(4) . ?
C28 H28A 0.96 . ?
C28 H28B 0.96 . ?
C28 H28C 0.96 . ?
C29 H29A 0.96 . ?
C29 H29B 0.96 . ?
C29 H29C 0.96 . ?
Au1 N1 1.979(2) . ?
Au1 N3 1.991(2) . ?
N3 N4 1.362(3) . ?

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 C1 C2 116.5(3) . . ?
N1 C1 C5 113.3(2) . . ?
C2 C1 C5 130.1(3) . . ?
N2 C2 C1 122.4(3) . . ?
N2 C2 H2 118.8 . . ?
C1 C2 H2 118.8 . . ?
N2 C3 C4 122.6(3) . . ?
N2 C3 H3 118.7 . . ?
C4 C3 H3 118.7 . . ?
N1 C4 C3 116.0(3) . . ?
N1 C4 C15 113.6(2) . . ?
C3 C4 C15 130.4(3) . . ?
C10 C5 C6 120.3(3) . . ?
C10 C5 C1 122.7(3) . . ?
C6 C5 C1 117.0(2) . . ?
C7 C6 C5 118.2(3) . . ?
C7 C6 Au1 131.8(2) . . ?
C5 C6 Au1 110.0(2) . . ?
C6 C7 C8 122.4(3) . . ?
C6 C7 H7 118.8 . . ?
C8 C7 H7 118.8 . . ?
C9 C8 C7 117.5(3) . . ?
C9 C8 C11 122.1(3) . . ?
C7 C8 C11 120.3(2) . . ?
C10 C9 C8 121.8(3) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
C9 C10 C5 119.7(3) . . ?
C9 C10 H10 120.2 . . ?
C5 C10 H10 120.2 . . ?
C14 C11 C12 108.0(3) . . ?
C14 C11 C13 109.0(3) . . ?
C12 C11 C13 108.2(2) . . ?
C14 C11 C8 111.1(2) . . ?
C12 C11 C8 112.1(2) . . ?
C13 C11 C8 108.5(2) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 119.4(3) . . ?
C20 C15 C4 124.2(3) . . ?
C16 C15 C4 116.4(3) . . ?
C17 C16 C15 118.9(3) . . ?
C17 C16 Au1 130.6(2) . . ?
C15 C16 Au1 110.5(2) . . ?
C16 C17 C18 122.4(3) . . ?
C16 C17 H17 118.8 . . ?
C18 C17 H17 118.8 . . ?
C17 C18 C19 117.5(3) . . ?
C17 C18 C21 120.4(3) . . ?
C19 C18 C21 122.0(3) . . ?
C20 C19 C18 121.3(3) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C15 C20 C19 120.4(3) . . ?
C15 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C18 C21 C24 112.3(2) . . ?
C18 C21 C23 111.1(2) . . ?
C24 C21 C23 107.7(3) . . ?
C18 C21 C22 107.3(2) . . ?
C24 C21 C22 108.9(3) . . ?
C23 C21 C22 109.5(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N3 C25 C26 106.7(3) . . ?
N3 C25 C28 121.8(3) . . ?
C26 C25 C28 131.4(3) . . ?
C25 C26 C27 105.9(3) . . ?
C25 C26 H26 127.1 . . ?
C27 C26 H26 127.1 . . ?
N4 C27 C26 110.5(3) . . ?
N4 C27 C29 119.9(3) . . ?
C26 C27 C29 129.5(3) . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N1 Au1 N3 178.33(9) . . ?
N1 Au1 C16 81.32(11) . . ?
N3 Au1 C16 98.38(11) . . ?
N1 Au1 C6 81.39(10) . . ?
N3 Au1 C6 98.88(10) . . ?
C16 Au1 C6 162.69(12) . . ?
C1 N1 C4 123.9(3) . . ?
C1 N1 Au1 118.10(19) . . ?
C4 N1 Au1 117.93(19) . . ?
C2 N2 C3 118.5(3) . . ?
C25 N3 N4 112.2(2) . . ?
C25 N3 Au1 126.9(2) . . ?
N4 N3 Au1 120.60(18) . . ?
C27 N4 N3 104.7(2) . . ?


# END of CIF
_chemical_properties_physical    Light-sensitive
_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
_database_code_depnum_ccdc_archive 'CCDC 1417821'
_audit_update_record             
;
2015-08-09 deposited with the CCDC.
2015-09-25 downloaded from the CCDC.
;

_audit_creation_date             2015-05-14T11:10:04-00:00
_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         'C32 H31 Au1 N2'
_chemical_formula_sum            'C32 H31 Au N2'
_chemical_formula_weight         640.55
_chemical_compound_source        'synthesis as described'

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

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/a
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, z'

_cell_length_a                   8.4040(3)
_cell_length_b                   13.1184(4)
_cell_length_c                   23.6000(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2601.83(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    140(2)
_cell_measurement_reflns_used    16935
_cell_measurement_theta_min      2.8727
_cell_measurement_theta_max      29.9208
_cell_measurement_wavelength     0.71073

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

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1264

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

_exptl_absorpt_coefficient_mu    5.677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
        (compiled Sep 14 2012,17:21:16)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.44404
_exptl_absorpt_correction_T_max  1
_shelx_estimated_absorpt_T_min   0.396
_shelx_estimated_absorpt_T_max   0.764

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

_diffrn_ambient_temperature      140(2)
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector_area_resol_mean 16.005
_diffrn_orient_matrix_ub_11      0.016355
_diffrn_orient_matrix_ub_12      -0.0490313
_diffrn_orient_matrix_ub_13      0.0112303
_diffrn_orient_matrix_ub_21      0.0041071
_diffrn_orient_matrix_ub_22      0.0210971
_diffrn_orient_matrix_ub_23      0.0276185
_diffrn_orient_matrix_ub_31      -0.0827017
_diffrn_orient_matrix_ub_32      -0.0086764
_diffrn_orient_matrix_ub_33      0.003751
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_number            41782
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.8727
_diffrn_reflns_theta_max         29.9208
_diffrn_reflns_theta_full        27.4248
_diffrn_measured_fraction_theta_full 0.9984
_diffrn_measured_fraction_theta_max 0.9839
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.931
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.931
_reflns_Friedel_coverage         0
_reflns_number_total             7043
_reflns_number_gt                6336
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
        (compiled Sep 14 2012,17:21:16)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
        (compiled Sep 14 2012,17:21:16)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
        (compiled Sep 14 2012,17:21:16)
;
_computing_structure_solution    'DIRDIF08 (Beurskens et al, 2008)'
_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_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)+(0.0071P)²+27.1091P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         7043
_refine_ls_number_parameters     322
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.0999
_refine_ls_wR_factor_gt          0.0974
_refine_ls_goodness_of_fit_ref   1.263
_refine_ls_restrained_S_all      1.263
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.134
_refine_diff_density_min         -3.982
_refine_diff_density_rms         0.172

#----------------------------------------------------------------------------#
#                   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'
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'

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 0.00732(3) 0.70768(2) 0.27002(2) 0.01899(7) Uani 1 1 d . . . . .
N1 N -0.0699(6) 0.8333(4) 0.3091(2) 0.0257(11) Uani 1 1 d . . . . .
N2 N -0.1745(7) 1.0051(5) 0.3615(3) 0.0352(13) Uani 1 1 d . . . . .
C1 C -0.1653(7) 0.8233(5) 0.3547(3) 0.0265(13) Uani 1 1 d . . . . .
C2 C -0.2185(8) 0.9123(6) 0.3805(3) 0.0327(15) Uani 1 1 d . . . . .
H2 H -0.2876 0.9077 0.4123 0.039 Uiso 1 1 calc R U . . .
C3 C -0.0785(8) 1.0102(5) 0.3167(3) 0.0320(14) Uani 1 1 d . . . . .
H3 H -0.0465 1.0756 0.3038 0.038 Uiso 1 1 calc R U . . .
C4 C -0.0221(8) 0.9246(5) 0.2877(3) 0.0261(12) Uani 1 1 d . . . . .
C5 C -0.1915(7) 0.7157(5) 0.3705(3) 0.0261(12) Uani 1 1 d . . . . .
C6 C -0.1150(7) 0.6416(5) 0.3367(3) 0.0254(12) Uani 1 1 d . . . . .
C7 C -0.1287(8) 0.5397(5) 0.3523(3) 0.0275(13) Uani 1 1 d . . . . .
H7 H -0.076 0.4893 0.3303 0.033 Uiso 1 1 calc R U . . .
C8 C -0.2182(8) 0.5089(5) 0.3998(3) 0.0308(14) Uani 1 1 d . . . . .
C9 C -0.2955(8) 0.5841(6) 0.4314(3) 0.0339(15) Uani 1 1 d . . . . .
H9 H -0.3579 0.5646 0.4632 0.041 Uiso 1 1 calc R U . . .
C10 C -0.2836(8) 0.6864(6) 0.4175(3) 0.0335(15) Uani 1 1 d . . . . .
H10 H -0.3372 0.7363 0.4395 0.04 Uiso 1 1 calc R U . . .
C11 C -0.2181(9) 0.3974(6) 0.4188(3) 0.0368(16) Uani 1 1 d . . . . .
C12 C -0.2178(15) 0.3236(7) 0.3689(4) 0.065(3) Uani 1 1 d . . . . .
H12A H -0.116 0.3283 0.3489 0.098 Uiso 1 1 calc R U . . .
H12B H -0.3046 0.341 0.343 0.098 Uiso 1 1 calc R U . . .
H12C H -0.2327 0.2538 0.3829 0.098 Uiso 1 1 calc R U . . .
C13 C -0.0646(10) 0.3797(7) 0.4531(4) 0.054(2) Uani 1 1 d . . . . .
H13A H -0.0596 0.4287 0.4844 0.081 Uiso 1 1 calc R U . . .
H13B H 0.028 0.389 0.4284 0.081 Uiso 1 1 calc R U . . .
H13C H -0.0645 0.3102 0.4683 0.081 Uiso 1 1 calc R U . . .
C14 C -0.3587(10) 0.3730(7) 0.4578(4) 0.048(2) Uani 1 1 d . . . . .
H14A H -0.3599 0.4211 0.4896 0.072 Uiso 1 1 calc R U . . .
H14B H -0.3478 0.3033 0.4723 0.072 Uiso 1 1 calc R U . . .
H14C H -0.4583 0.3789 0.4364 0.072 Uiso 1 1 calc R U . . .
C15 C 0.0714(7) 0.9164(5) 0.2361(3) 0.0266(13) Uani 1 1 d . . . . .
C16 C 0.1056(7) 0.8162(5) 0.2159(3) 0.0276(13) Uani 1 1 d . . . . .
C17 C 0.1859(8) 0.8060(5) 0.1652(3) 0.0289(13) Uani 1 1 d . . . . .
H17 H 0.2091 0.7394 0.1517 0.035 Uiso 1 1 calc R U . . .
C18 C 0.2349(8) 0.8908(6) 0.1327(3) 0.0316(14) Uani 1 1 d . . . . .
C19 C 0.2046(9) 0.9882(5) 0.1547(3) 0.0345(15) Uani 1 1 d . . . . .
H19 H 0.24 1.0465 0.1345 0.041 Uiso 1 1 calc R U . . .
C20 C 0.1231(9) 1.0010(5) 0.2058(3) 0.0342(15) Uani 1 1 d . . . . .
H20 H 0.1031 1.0676 0.2199 0.041 Uiso 1 1 calc R U . . .
C21 C 0.3138(8) 0.8812(6) 0.0743(3) 0.0332(15) Uani 1 1 d . . . . .
C22 C 0.3376(10) 0.7708(6) 0.0564(3) 0.0422(18) Uani 1 1 d . . . . .
H22A H 0.4103 0.7371 0.0829 0.063 Uiso 1 1 calc R U . . .
H22B H 0.3828 0.7687 0.0182 0.063 Uiso 1 1 calc R U . . .
H22C H 0.2348 0.7354 0.0566 0.063 Uiso 1 1 calc R U . . .
C23 C 0.4791(8) 0.9335(6) 0.0762(3) 0.0355(15) Uani 1 1 d . . . . .
H23A H 0.4658 1.0061 0.0848 0.053 Uiso 1 1 calc R U . . .
H23B H 0.5316 0.9259 0.0393 0.053 Uiso 1 1 calc R U . . .
H23C H 0.5445 0.9015 0.1056 0.053 Uiso 1 1 calc R U . . .
C24 C 0.2105(9) 0.9341(7) 0.0311(3) 0.045(2) Uani 1 1 d . . . . .
H24A H 0.1036 0.9042 0.0317 0.067 Uiso 1 1 calc R U . . .
H24B H 0.257 0.9255 -0.0067 0.067 Uiso 1 1 calc R U . . .
H24C H 0.2039 1.0069 0.0401 0.067 Uiso 1 1 calc R U . . .
C25 C 0.0939(8) 0.5831(5) 0.2342(3) 0.0284(13) Uani 1 1 d . . . . .
C26 C 0.1533(8) 0.5074(5) 0.2152(3) 0.0300(14) Uani 1 1 d . . . . .
C27 C 0.2312(8) 0.4191(5) 0.1924(3) 0.0301(14) Uani 1 1 d . . . . .
C28 C 0.2464(8) 0.3307(5) 0.2247(3) 0.0337(15) Uani 1 1 d . . . . .
H28 H 0.1971 0.3264 0.2608 0.04 Uiso 1 1 calc R U . . .
C29 C 0.3346(10) 0.2479(6) 0.2038(4) 0.0429(18) Uani 1 1 d . . . . .
H29 H 0.3486 0.1889 0.2266 0.051 Uiso 1 1 calc R U . . .
C30 C 0.4009(10) 0.2515(6) 0.1505(4) 0.0446(19) Uani 1 1 d . . . . .
H30 H 0.4595 0.1949 0.1365 0.054 Uiso 1 1 calc R U . . .
C31 C 0.3823(10) 0.3367(7) 0.1178(3) 0.0441(19) Uani 1 1 d . . . . .
H31 H 0.4255 0.338 0.0806 0.053 Uiso 1 1 calc R U . . .
C32 C 0.3014(9) 0.4213(6) 0.1381(3) 0.0371(16) Uani 1 1 d . . . . .
H32 H 0.2931 0.4809 0.1154 0.045 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 C25 1.979(7) . ?
Au1 N1 1.997(5) . ?
Au1 C6 2.070(6) . ?
Au1 C16 2.083(7) . ?
N1 C1 1.348(8) . ?
N1 C4 1.360(8) . ?
N2 C3 1.331(9) . ?
N2 C2 1.349(9) . ?
C1 C2 1.392(9) . ?
C1 C5 1.476(9) . ?
C2 H2 0.95 . ?
C3 C4 1.398(9) . ?
C3 H3 0.95 . ?
C4 C15 1.453(9) . ?
C5 C10 1.405(9) . ?
C5 C6 1.412(9) . ?
C6 C7 1.392(9) . ?
C7 C8 1.409(9) . ?
C7 H7 0.95 . ?
C8 C9 1.397(10) . ?
C8 C11 1.530(10) . ?
C9 C10 1.385(10) . ?
C9 H9 0.95 . ?
C10 H10 0.95 . ?
C11 C12 1.524(12) . ?
C11 C14 1.531(10) . ?
C11 C13 1.541(11) . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 C20 1.390(9) . ?
C15 C16 1.427(9) . ?
C16 C17 1.381(9) . ?
C17 C18 1.414(9) . ?
C17 H17 0.95 . ?
C18 C19 1.402(10) . ?
C18 C21 1.533(9) . ?
C19 C20 1.397(10) . ?
C19 H19 0.95 . ?
C20 H20 0.95 . ?
C21 C24 1.509(10) . ?
C21 C22 1.522(11) . ?
C21 C23 1.550(10) . ?
C22 H22A 0.98 . ?
C22 H22B 0.98 . ?
C22 H22C 0.98 . ?
C23 H23A 0.98 . ?
C23 H23B 0.98 . ?
C23 H23C 0.98 . ?
C24 H24A 0.98 . ?
C24 H24B 0.98 . ?
C24 H24C 0.98 . ?
C25 C26 1.199(9) . ?
C26 C27 1.435(9) . ?
C27 C28 1.393(10) . ?
C27 C32 1.412(10) . ?
C28 C29 1.405(10) . ?
C28 H28 0.95 . ?
C29 C30 1.375(12) . ?
C29 H29 0.95 . ?
C30 C31 1.368(12) . ?
C30 H30 0.95 . ?
C31 C32 1.387(10) . ?
C31 H31 0.95 . ?
C32 H32 0.95 . ?

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
C25 Au1 N1 176.9(2) . . ?
C25 Au1 C6 99.3(3) . . ?
N1 Au1 C6 80.4(2) . . ?
C25 Au1 C16 99.0(3) . . ?
N1 Au1 C16 81.2(2) . . ?
C6 Au1 C16 161.6(3) . . ?
C1 N1 C4 123.9(6) . . ?
C1 N1 Au1 118.7(4) . . ?
C4 N1 Au1 117.3(4) . . ?
C3 N2 C2 118.4(6) . . ?
N1 C1 C2 117.3(6) . . ?
N1 C1 C5 112.6(6) . . ?
C2 C1 C5 130.1(6) . . ?
N2 C2 C1 121.6(6) . . ?
N2 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
N2 C3 C4 123.6(7) . . ?
N2 C3 H3 118.2 . . ?
C4 C3 H3 118.2 . . ?
N1 C4 C3 115.2(6) . . ?
N1 C4 C15 113.9(6) . . ?
C3 C4 C15 130.8(6) . . ?
C10 C5 C6 120.5(6) . . ?
C10 C5 C1 122.9(6) . . ?
C6 C5 C1 116.6(6) . . ?
C7 C6 C5 118.3(6) . . ?
C7 C6 Au1 130.1(5) . . ?
C5 C6 Au1 111.5(5) . . ?
C6 C7 C8 122.0(6) . . ?
C6 C7 H7 119 . . ?
C8 C7 H7 119 . . ?
C9 C8 C7 118.1(6) . . ?
C9 C8 C11 121.3(6) . . ?
C7 C8 C11 120.5(6) . . ?
C10 C9 C8 121.6(6) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C5 119.5(6) . . ?
C9 C10 H10 120.3 . . ?
C5 C10 H10 120.3 . . ?
C12 C11 C8 112.4(6) . . ?
C12 C11 C14 109.4(7) . . ?
C8 C11 C14 112.1(7) . . ?
C12 C11 C13 108.0(8) . . ?
C8 C11 C13 107.3(6) . . ?
C14 C11 C13 107.4(6) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 120.0(6) . . ?
C20 C15 C4 122.8(6) . . ?
C16 C15 C4 117.2(6) . . ?
C17 C16 C15 118.5(6) . . ?
C17 C16 Au1 131.2(5) . . ?
C15 C16 Au1 110.2(4) . . ?
C16 C17 C18 122.5(6) . . ?
C16 C17 H17 118.7 . . ?
C18 C17 H17 118.7 . . ?
C19 C18 C17 117.5(6) . . ?
C19 C18 C21 119.1(6) . . ?
C17 C18 C21 123.3(7) . . ?
C20 C19 C18 121.2(6) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C15 C20 C19 120.1(7) . . ?
C15 C20 H20 120 . . ?
C19 C20 H20 120 . . ?
C24 C21 C22 109.0(7) . . ?
C24 C21 C18 108.7(6) . . ?
C22 C21 C18 112.6(6) . . ?
C24 C21 C23 109.4(6) . . ?
C22 C21 C23 108.1(6) . . ?
C18 C21 C23 109.0(6) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 Au1 175.9(6) . . ?
C25 C26 C27 177.4(7) . . ?
C28 C27 C32 118.4(6) . . ?
C28 C27 C26 120.6(6) . . ?
C32 C27 C26 121.0(7) . . ?
C27 C28 C29 120.0(7) . . ?
C27 C28 H28 120 . . ?
C29 C28 H28 120 . . ?
C30 C29 C28 120.5(7) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C31 C30 C29 119.9(7) . . ?
C31 C30 H30 120 . . ?
C29 C30 H30 120 . . ?
C30 C31 C32 120.9(8) . . ?
C30 C31 H31 119.5 . . ?
C32 C31 H31 119.5 . . ?
C31 C32 C27 120.2(7) . . ?
C31 C32 H32 119.9 . . ?
C27 C32 H32 119.9 . . ?


# END of CIF
_chemical_properties_physical    Light-sensitive
_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
_database_code_depnum_ccdc_archive 'CCDC 1417822'
_audit_update_record             
;
2015-08-09 deposited with the CCDC.
2015-09-25 downloaded from the CCDC.
;

_audit_creation_date             2015-06-30T13:37:30-00:00
_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_analytical     ?
_chemical_formula_sum            'C30 H35 Au N2'
_chemical_formula_weight         620.56

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

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.3700(9)
_cell_length_b                   12.3194(9)
_cell_length_c                   18.1788(13)
_cell_angle_alpha                90.0000(10)
_cell_angle_beta                 104.680(13)
_cell_angle_gamma                90.0000(10)
_cell_volume                     2679.9(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    33224
_cell_measurement_theta_min      2.4
_cell_measurement_theta_max      27.5

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

_exptl_crystal_description       Plate
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_F_000             1232
_exptl_special_details           
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
        (compiled Sep 14 2012,17:21:16)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

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

_exptl_absorpt_coefficient_mu    5.509
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.608
_exptl_absorpt_correction_T_max  1
_shelx_estimated_absorpt_T_min   0.473
_shelx_estimated_absorpt_T_max   0.699

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

_diffrn_source                   'Sealed Tube'
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_ub_11      0.054708
_diffrn_orient_matrix_ub_12      0.048659
_diffrn_orient_matrix_ub_13      0.040287
_diffrn_orient_matrix_ub_21      0.004298
_diffrn_orient_matrix_ub_22      0.048772
_diffrn_orient_matrix_ub_23      -0.064744
_diffrn_orient_matrix_ub_31      -0.032047
_diffrn_orient_matrix_ub_32      0.038518
_diffrn_orient_matrix_ub_33      0.026889
_diffrn_measurement_device       
;
        AFC12 (Right): Kappa 3 circle
;
_diffrn_measurement_device_type  
;
        Rigaku Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support MiTeGen
_diffrn_reflns_av_R_equivalents  0.0717
_diffrn_reflns_av_unetI/netI     0.036
_diffrn_reflns_number            34513
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.444
_diffrn_reflns_theta_max         27.678
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.984
_reflns_Friedel_coverage         0
_reflns_number_total             6151
_reflns_number_gt                5659
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_data_collection       
;
        CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_cell_refinement       
;
        CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_data_reduction        
;
        CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'

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

_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)+(0.0466P)²+1.5341P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         6151
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.031
_refine_ls_R_factor_gt           0.0279
_refine_ls_wR_factor_ref         0.0748
_refine_ls_wR_factor_gt          0.072
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.552
_refine_diff_density_min         -1.518
_refine_diff_density_rms         0.139

#----------------------------------------------------------------------------#
#                   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'
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'

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
C1 C 0.4054(3) 0.4018(2) 0.30658(16) 0.0184(5) Uani 1 1 d . . . . .
C2 C 0.3095(3) 0.3373(2) 0.28539(17) 0.0238(6) Uani 1 1 d . . . . .
H2 H 0.3052 0.2842 0.2469 0.029 Uiso 1 1 calc R U . . .
C3 C 0.2295(3) 0.4222(2) 0.3711(2) 0.0248(7) Uani 1 1 d . . . . .
H3 H 0.1691 0.4291 0.3942 0.03 Uiso 1 1 calc R U . . .
C4 C 0.3224(2) 0.4910(2) 0.39491(15) 0.0197(6) Uani 1 1 d . . . . .
C5 C 0.5076(3) 0.4001(3) 0.28019(16) 0.0195(6) Uani 1 1 d . . . . .
C6 C 0.5937(2) 0.4731(2) 0.31638(15) 0.0175(5) Uani 1 1 d . . . . .
C7 C 0.6951(2) 0.4684(2) 0.29716(16) 0.0198(6) Uani 1 1 d . . . . .
H7 H 0.7531 0.5167 0.3213 0.024 Uiso 1 1 calc R U . . .
C8 C 0.7151(2) 0.3948(3) 0.24339(16) 0.0203(6) Uani 1 1 d . . . . .
C9 C 0.6261(2) 0.3285(2) 0.20543(16) 0.0214(6) Uani 1 1 d . . . . .
H9 H 0.6363 0.281 0.1665 0.026 Uiso 1 1 calc R U . . .
C10 C 0.5240(3) 0.3307(2) 0.22351(16) 0.0212(6) Uani 1 1 d . . . . .
H10 H 0.465 0.2849 0.1972 0.025 Uiso 1 1 calc R U . . .
C11 C 0.8314(3) 0.3882(3) 0.22881(17) 0.0244(6) Uani 1 1 d . . . . .
C12 C 0.9167(3) 0.3590(4) 0.30361(19) 0.0370(8) Uani 1 1 d . . . . .
H12A H 0.9185 0.4167 0.341 0.055 Uiso 1 1 calc R U . . .
H12B H 0.9909 0.3511 0.2943 0.055 Uiso 1 1 calc R U . . .
H12C H 0.8949 0.2905 0.3232 0.055 Uiso 1 1 calc R U . . .
C13 C 0.8621(3) 0.4990(3) 0.2002(2) 0.0419(9) Uani 1 1 d . . . . .
H13A H 0.8057 0.5193 0.1539 0.063 Uiso 1 1 calc R U . . .
H13B H 0.9354 0.494 0.189 0.063 Uiso 1 1 calc R U . . .
H13C H 0.8646 0.5542 0.2394 0.063 Uiso 1 1 calc R U . . .
C14 C 0.8386(3) 0.3020(3) 0.1696(2) 0.0376(8) Uani 1 1 d . . . . .
H14A H 0.8209 0.2307 0.1873 0.056 Uiso 1 1 calc R U . . .
H14B H 0.9144 0.301 0.1622 0.056 Uiso 1 1 calc R U . . .
H14C H 0.7851 0.3194 0.1213 0.056 Uiso 1 1 calc R U . . .
C15 C 0.3422(3) 0.5798(2) 0.45008(17) 0.0188(6) Uani 1 1 d . . . . .
C16 C 0.4431(2) 0.6394(2) 0.45916(15) 0.0188(6) Uani 1 1 d . . . . .
C17 C 0.4593(2) 0.7308(2) 0.50504(15) 0.0184(6) Uani 1 1 d . . . . .
H17 H 0.526 0.7717 0.5105 0.022 Uiso 1 1 calc R U . . .
C18 C 0.3799(2) 0.7650(2) 0.54391(15) 0.0188(6) Uani 1 1 d . . . . .
C19 C 0.2847(2) 0.7008(2) 0.53736(16) 0.0201(6) Uani 1 1 d . . . . .
H19 H 0.2322 0.7201 0.5653 0.024 Uiso 1 1 calc R U . . .
C20 C 0.2651(2) 0.6097(3) 0.49108(17) 0.0213(6) Uani 1 1 d . . . . .
H20 H 0.1994 0.5677 0.4872 0.026 Uiso 1 1 calc R U . . .
C21 C 0.3948(3) 0.8735(2) 0.58612(17) 0.0207(6) Uani 1 1 d . . . . .
C22 C 0.5160(3) 0.8904(3) 0.63249(18) 0.0253(7) Uani 1 1 d . . . . .
H22A H 0.5344 0.8369 0.6737 0.038 Uiso 1 1 calc R U . . .
H22B H 0.5242 0.9637 0.6541 0.038 Uiso 1 1 calc R U . . .
H22C H 0.5666 0.8814 0.5993 0.038 Uiso 1 1 calc R U . . .
C23 C 0.3635(3) 0.9632(3) 0.52504(17) 0.0256(6) Uani 1 1 d . . . . .
H23A H 0.4092 0.9553 0.4885 0.038 Uiso 1 1 calc R U . . .
H23B H 0.3771 1.0346 0.5495 0.038 Uiso 1 1 calc R U . . .
H23C H 0.2843 0.9567 0.4984 0.038 Uiso 1 1 calc R U . . .
C24 C 0.3180(3) 0.8841(3) 0.64047(18) 0.0279(7) Uani 1 1 d . . . . .
H24A H 0.2398 0.8843 0.611 0.042 Uiso 1 1 calc R U . . .
H24B H 0.3346 0.952 0.6691 0.042 Uiso 1 1 calc R U . . .
H24C H 0.3308 0.8227 0.6759 0.042 Uiso 1 1 calc R U . . .
C25 C 0.6777(2) 0.6609(2) 0.42350(15) 0.0189(6) Uani 1 1 d . . . . .
C26 C 0.7645(2) 0.7099(2) 0.44100(16) 0.0193(6) Uani 1 1 d . . . . .
C27 C 0.8742(2) 0.7649(2) 0.46297(17) 0.0215(6) Uani 1 1 d . . . . .
C28 C 0.9667(3) 0.6794(3) 0.4676(2) 0.0329(7) Uani 1 1 d . . . . .
H28A H 0.9648 0.627 0.5078 0.049 Uiso 1 1 calc R U . . .
H28B H 1.0397 0.7155 0.4792 0.049 Uiso 1 1 calc R U . . .
H28C H 0.9544 0.6415 0.4188 0.049 Uiso 1 1 calc R U . . .
C29 C 0.8818(3) 0.8505(3) 0.40312(19) 0.0311(7) Uani 1 1 d . . . . .
H29A H 0.8747 0.8149 0.3539 0.047 Uiso 1 1 calc R U . . .
H29B H 0.954 0.8876 0.4185 0.047 Uiso 1 1 calc R U . . .
H29C H 0.8214 0.9034 0.3987 0.047 Uiso 1 1 calc R U . . .
C30 C 0.8903(3) 0.8206(3) 0.54053(18) 0.0288(7) Uani 1 1 d . . . . .
H30A H 0.8314 0.8747 0.5376 0.043 Uiso 1 1 calc R U . . .
H30B H 0.9634 0.8563 0.5544 0.043 Uiso 1 1 calc R U . . .
H30C H 0.8864 0.7661 0.5791 0.043 Uiso 1 1 calc R U . . .
Au1 Au 0.54161(2) 0.57125(2) 0.39344(2) 0.01509(6) Uani 1 1 d . . . . .
N1 N 0.4061(2) 0.47661(19) 0.36086(13) 0.0179(5) Uani 1 1 d . . . . .
N2 N 0.2235(2) 0.3475(2) 0.31705(15) 0.0262(6) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   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
C1 N1 1.349(4) . ?
C1 C2 1.398(4) . ?
C1 C5 1.462(4) . ?
C2 N2 1.338(4) . ?
C2 H2 0.95 . ?
C3 N2 1.335(4) . ?
C3 C4 1.404(4) . ?
C3 H3 0.95 . ?
C4 N1 1.347(4) . ?
C4 C15 1.462(4) . ?
C5 C10 1.392(4) . ?
C5 C6 1.422(4) . ?
C6 C7 1.385(4) . ?
C6 Au1 2.073(3) . ?
C7 C8 1.400(4) . ?
C7 H7 0.95 . ?
C8 C9 1.404(4) . ?
C8 C11 1.530(4) . ?
C9 C10 1.384(4) . ?
C9 H9 0.95 . ?
C10 H10 0.95 . ?
C11 C14 1.531(4) . ?
C11 C12 1.538(4) . ?
C11 C13 1.542(5) . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 C20 1.401(4) . ?
C15 C16 1.422(4) . ?
C16 C17 1.385(4) . ?
C16 Au1 2.087(3) . ?
C17 C18 1.412(4) . ?
C17 H17 0.95 . ?
C18 C19 1.399(4) . ?
C18 C21 1.528(4) . ?
C19 C20 1.387(4) . ?
C19 H19 0.95 . ?
C20 H20 0.95 . ?
C21 C22 1.536(5) . ?
C21 C24 1.540(4) . ?
C21 C23 1.545(4) . ?
C22 H22A 0.98 . ?
C22 H22B 0.98 . ?
C22 H22C 0.98 . ?
C23 H23A 0.98 . ?
C23 H23B 0.98 . ?
C23 H23C 0.98 . ?
C24 H24A 0.98 . ?
C24 H24B 0.98 . ?
C24 H24C 0.98 . ?
C25 C26 1.202(4) . ?
C25 Au1 1.971(3) . ?
C26 C27 1.479(4) . ?
C27 C29 1.535(4) . ?
C27 C30 1.535(4) . ?
C27 C28 1.541(4) . ?
C28 H28A 0.98 . ?
C28 H28B 0.98 . ?
C28 H28C 0.98 . ?
C29 H29A 0.98 . ?
C29 H29B 0.98 . ?
C29 H29C 0.98 . ?
C30 H30A 0.98 . ?
C30 H30B 0.98 . ?
C30 H30C 0.98 . ?
Au1 N1 2.004(2) . ?

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 C1 C2 116.0(3) . . ?
N1 C1 C5 113.8(3) . . ?
C2 C1 C5 130.2(3) . . ?
N2 C2 C1 122.7(3) . . ?
N2 C2 H2 118.6 . . ?
C1 C2 H2 118.6 . . ?
N2 C3 C4 122.2(3) . . ?
N2 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
N1 C4 C3 116.3(3) . . ?
N1 C4 C15 113.5(3) . . ?
C3 C4 C15 130.1(3) . . ?
C10 C5 C6 119.9(3) . . ?
C10 C5 C1 123.5(3) . . ?
C6 C5 C1 116.6(3) . . ?
C7 C6 C5 118.4(3) . . ?
C7 C6 Au1 130.7(2) . . ?
C5 C6 Au1 110.9(2) . . ?
C6 C7 C8 122.3(3) . . ?
C6 C7 H7 118.8 . . ?
C8 C7 H7 118.8 . . ?
C7 C8 C9 117.7(3) . . ?
C7 C8 C11 119.7(3) . . ?
C9 C8 C11 122.5(3) . . ?
C10 C9 C8 121.4(3) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C5 120.0(3) . . ?
C9 C10 H10 120 . . ?
C5 C10 H10 120 . . ?
C8 C11 C14 112.6(3) . . ?
C8 C11 C12 108.9(3) . . ?
C14 C11 C12 108.1(3) . . ?
C8 C11 C13 109.5(3) . . ?
C14 C11 C13 108.3(3) . . ?
C12 C11 C13 109.5(3) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 119.9(3) . . ?
C20 C15 C4 122.9(3) . . ?
C16 C15 C4 117.1(3) . . ?
C17 C16 C15 118.6(3) . . ?
C17 C16 Au1 130.9(2) . . ?
C15 C16 Au1 110.4(2) . . ?
C16 C17 C18 122.1(3) . . ?
C16 C17 H17 119 . . ?
C18 C17 H17 119 . . ?
C19 C18 C17 117.8(3) . . ?
C19 C18 C21 121.9(3) . . ?
C17 C18 C21 120.1(3) . . ?
C20 C19 C18 121.6(3) . . ?
C20 C19 H19 119.2 . . ?
C18 C19 H19 119.2 . . ?
C19 C20 C15 119.9(3) . . ?
C19 C20 H20 120.1 . . ?
C15 C20 H20 120.1 . . ?
C18 C21 C22 111.8(2) . . ?
C18 C21 C24 112.4(3) . . ?
C22 C21 C24 108.1(3) . . ?
C18 C21 C23 106.8(2) . . ?
C22 C21 C23 109.2(3) . . ?
C24 C21 C23 108.5(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 Au1 175.8(3) . . ?
C25 C26 C27 177.2(3) . . ?
C26 C27 C29 109.9(2) . . ?
C26 C27 C30 110.4(3) . . ?
C29 C27 C30 109.1(3) . . ?
C26 C27 C28 108.6(3) . . ?
C29 C27 C28 109.3(3) . . ?
C30 C27 C28 109.5(3) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C25 Au1 N1 177.96(10) . . ?
C25 Au1 C6 97.13(11) . . ?
N1 Au1 C6 80.85(11) . . ?
C25 Au1 C16 101.38(11) . . ?
N1 Au1 C16 80.64(11) . . ?
C6 Au1 C16 161.48(12) . . ?
C4 N1 C1 124.3(3) . . ?
C4 N1 Au1 118.09(19) . . ?
C1 N1 Au1 117.7(2) . . ?
C3 N2 C2 118.6(3) . . ?


# END of CIF
_chemical_properties_physical    Light-sensitive
_exptl_crystal_preparation       Luminescent
