# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_I
_database_code_depnum_ccdc_archive 'CCDC 1429452'
_audit_update_record             
;
2016-01-15 deposited with the CCDC.
2017-07-20 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15 H15 Au F3 N'
_chemical_formula_iupac          ?
_chemical_formula_weight         463.25

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.7708(15)
_cell_length_b                   8.3156(17)
_cell_length_c                   12.492(3)
_cell_angle_alpha                98.152(4)
_cell_angle_beta                 104.868(4)
_cell_angle_gamma                92.540(4)
_cell_volume                     769.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    121
_cell_measurement_theta_min      5.1327
_cell_measurement_theta_max      27.3171
_cell_measurement_temperature    296

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    1.999
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             436

_exptl_absorpt_coefficient_mu    9.579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.40
_exptl_absorpt_correction_T_max  0.40

_exptl_special_details           
;
;

_diffrn_ambient_temperature      296

_diffrn_source                   ?
_diffrn_source_type              ?

_diffrn_radiation_type           ?
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            7556
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_unetI/netI     0.0342
_diffrn_reflns_theta_min         2.48
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14

_refine_special_details          
;
;

_reflns_number_total             2502
_reflns_number_gt                2312
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0831
_refine_ls_wR_factor_gt          0.2699
_refine_ls_wR_factor_ref         0.2798
_refine_ls_goodness_of_fit_ref   2.369
_refine_ls_restrained_S_all      2.356
_refine_ls_number_reflns         2502
_refine_ls_number_parameters     182
_refine_ls_number_restraints     96
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²+0.6788P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.755
_refine_diff_density_min         -2.658
_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 Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au01 0.67880(8) 0.58091(8) 0.45972(5) 0.0562(4) Uani d . . . 1 . .
C C1 0.240(3) 1.333(2) 0.0576(16) 0.084(7) Uani d . . D 1 . .
C C2 0.301(2) 1.206(2) 0.1260(19) 0.069(6) Uani d . . . 1 . .
C C3 0.311(3) 1.055(3) 0.0736(17) 0.076(6) Uani d . . . 1 . .
H H3 0.273 1.0322 -0.006 0.091 Uiso calc U . R 1 . .
C C4 0.355(3) 1.241(3) 0.2420(19) 0.074(6) Uani d . . . 1 . .
H H4 0.3484 1.3466 0.2798 0.089 Uiso calc U . R 1 . .
C C5 0.374(3) 0.933(3) 0.1343(19) 0.071(6) Uani d . . . 1 . .
H H5 0.3832 0.8277 0.0957 0.086 Uiso calc U . R 1 . .
C C6 0.419(3) 1.119(3) 0.3017(18) 0.060(5) Uani d . . . 1 . .
H H6 0.4602 1.1458 0.3811 0.072 Uiso calc U . R 1 . .
C C7 0.427(2) 0.963(2) 0.2535(18) 0.054(4) Uani d . . . 1 . .
C C8 0.502(2) 0.843(2) 0.3131(16) 0.051(4) Uani d U . D 1 . .
C C9 0.557(2) 0.736(2) 0.3667(16) 0.058(5) Uani d U . D 1 . .
C C10 0.806(2) 0.438(2) 0.5555(15) 0.047(4) Uani d U . D 1 . .
C C11 0.961(4) 0.269(2) 0.7100(19) 0.113(14) Uani d . . D 1 . .
H H11A 0.8806 0.2609 0.7593 0.135 Uiso calc U . R 1 . .
H H11B 1.078 0.3233 0.7557 0.135 Uiso calc U . R 1 . .
C C12 0.983(3) 0.0986(18) 0.6498(14) 0.057(4) Uani d U . D 1 . .
H H12A 1.0587 0.109 0.5978 0.068 Uiso calc U . R 1 . .
H H12B 0.8652 0.0448 0.6058 0.068 Uiso calc U . R 1 . .
C C13 1.072(3) -0.0041(16) 0.7397(14) 0.055(3) Uani d U . D 1 . .
H H13A 1.1899 0.0515 0.7831 0.066 Uiso calc U . R 1 . .
H H13B 0.9972 -0.0105 0.7923 0.066 Uiso calc U . R 1 . .
C C14 1.099(3) -0.1787(16) 0.6890(16) 0.062(4) Uani d U . D 1 . .
H H14A 1.1806 -0.1728 0.6401 0.075 Uiso calc U . R 1 . .
H H14B 0.9827 -0.2323 0.6418 0.075 Uiso calc U . R 1 . .
C C15 1.177(4) -0.283(3) 0.780(2) 0.082(7) Uani d U . D 1 . .
H H15A 1.306 -0.253 0.8101 0.124 Uiso calc U . R 1 . .
H H15B 1.1571 -0.3987 0.7473 0.124 Uiso calc U . R 1 . .
H H15C 1.1186 -0.2633 0.8409 0.124 Uiso calc U . R 1 . .
F F1 0.332(4) 1.357(4) -0.017(3) 0.175(11) Uani d U . D 1 . .
F F2 0.075(3) 1.293(3) -0.012(2) 0.151(9) Uani d U . D 1 . .
F F3 0.214(4) 1.472(2) 0.1191(18) 0.123(7) Uani d U . D 1 . .
N N1 0.883(2) 0.359(2) 0.6185(14) 0.059(4) Uani d U . D 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au01 C10 . 1.928(14) ?
Au01 C9 . 1.968(17) ?
C1 F3 . 1.343(10) ?
C1 F1 . 1.344(10) ?
C1 F2 . 1.350(10) ?
C1 C2 . 1.47(3) ?
C2 C3 . 1.35(3) ?
C2 C4 . 1.38(3) ?
C3 C5 . 1.39(3) ?
C3 H3 . 0.95 ?
C4 C6 . 1.37(3) ?
C4 H4 . 0.95 ?
C5 C7 . 1.42(3) ?
C5 H5 . 0.95 ?
C6 C7 . 1.36(3) ?
C6 H6 . 0.95 ?
C7 C8 . 1.39(3) ?
C8 C9 . 1.217(10) ?
C10 N1 . 1.158(10) ?
C11 N1 . 1.47(3) ?
C11 C12 . 1.546(7) ?
C11 H11A . 0.99 ?
C11 H11B . 0.99 ?
C12 C13 . 1.547(7) ?
C12 H12A . 0.99 ?
C12 H12B . 0.99 ?
C13 C14 . 1.545(7) ?
C13 H13A . 0.99 ?
C13 H13B . 0.99 ?
C14 C15 . 1.547(7) ?
C14 H14A . 0.99 ?
C14 H14B . 0.99 ?
C15 H15A . 0.98 ?
C15 H15B . 0.98 ?
C15 H15C . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C10 Au01 C9 . . 177.3(6) ?
F3 C1 F1 . . 114.(2) ?
F3 C1 F2 . . 101.1(19) ?
F1 C1 F2 . . 100.(3) ?
F3 C1 C2 . . 112.7(18) ?
F1 C1 C2 . . 115.2(19) ?
F2 C1 C2 . . 112.3(18) ?
C3 C2 C4 . . 120.(2) ?
C3 C2 C1 . . 119.(2) ?
C4 C2 C1 . . 121.5(19) ?
C2 C3 C5 . . 121.(2) ?
C2 C3 H3 . . 119.5 ?
C5 C3 H3 . . 119.5 ?
C6 C4 C2 . . 119.(2) ?
C6 C4 H4 . . 120.4 ?
C2 C4 H4 . . 120.4 ?
C3 C5 C7 . . 120.7(19) ?
C3 C5 H5 . . 119.6 ?
C7 C5 H5 . . 119.6 ?
C7 C6 C4 . . 124.(2) ?
C7 C6 H6 . . 118.1 ?
C4 C6 H6 . . 118.1 ?
C6 C7 C8 . . 124.(2) ?
C6 C7 C5 . . 115.6(18) ?
C8 C7 C5 . . 120.1(19) ?
C9 C8 C7 . . 175.5(19) ?
C8 C9 Au01 . . 171.7(16) ?
N1 C10 Au01 . . 175.9(18) ?
N1 C11 C12 . . 104.6(15) ?
N1 C11 H11A . . 110.8 ?
C12 C11 H11A . . 110.8 ?
N1 C11 H11B . . 110.8 ?
C12 C11 H11B . . 110.8 ?
H11A C11 H11B . . 108.9 ?
C11 C12 C13 . . 108.4(14) ?
C11 C12 H12A . . 110.0 ?
C13 C12 H12A . . 110.0 ?
C11 C12 H12B . . 110.0 ?
C13 C12 H12B . . 110.0 ?
H12A C12 H12B . . 108.4 ?
C14 C13 C12 . . 113.0(13) ?
C14 C13 H13A . . 109.0 ?
C12 C13 H13A . . 109.0 ?
C14 C13 H13B . . 109.0 ?
C12 C13 H13B . . 109.0 ?
H13A C13 H13B . . 107.8 ?
C13 C14 C15 . . 112.3(15) ?
C13 C14 H14A . . 109.1 ?
C15 C14 H14A . . 109.1 ?
C13 C14 H14B . . 109.1 ?
C15 C14 H14B . . 109.1 ?
H14A C14 H14B . . 107.9 ?
C14 C15 H15A . . 109.5 ?
C14 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C14 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C10 N1 C11 . . 171.(2) ?



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane/dichloromethane'
_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_I_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1435643'
_audit_update_record             
;
2016-01-15 deposited with the CCDC.
2017-07-20 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H16 Au N'
_chemical_formula_iupac          ?
_chemical_formula_weight         395.24

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.8590(9)
_cell_length_b                   10.4832(12)
_cell_length_c                   17.157(2)
_cell_angle_alpha                80.866(3)
_cell_angle_beta                 80.625(3)
_cell_angle_gamma                85.192(4)
_cell_volume                     1374.5(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4046
_cell_measurement_theta_min      2.4329
_cell_measurement_theta_max      30.1723
_cell_measurement_temperature    298

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.910
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             744

_exptl_absorpt_coefficient_mu    10.677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.40
_exptl_absorpt_correction_T_max  0.40

_exptl_special_details           
;
;

_diffrn_ambient_temperature      298

_diffrn_source                   ?
_diffrn_source_type              ?

_diffrn_radiation_type           ?
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            7547
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_unetI/netI     0.0747
_diffrn_reflns_theta_min         2.46
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20

_refine_special_details          
;
;

_reflns_number_total             4550
_reflns_number_gt                3392
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1090
_refine_ls_R_factor_gt           0.0945
_refine_ls_wR_factor_gt          0.2667
_refine_ls_wR_factor_ref         0.2857
_refine_ls_goodness_of_fit_ref   1.778
_refine_ls_restrained_S_all      1.749
_refine_ls_number_reflns         4550
_refine_ls_number_parameters     291
_refine_ls_number_restraints     200
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²+0.3780P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.035
_refine_diff_density_max         2.953
_refine_diff_density_min         -3.734
_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 Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_computing_data_collection       'Bruker Instrument Service v4.2.2'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 0.00100(11) 0.52907(10) 0.62890(7) 0.0818(4) Uani d . . . 1 . .
Au Au2 0.37816(9) 0.35712(8) 0.47266(5) 0.0638(4) Uani d . . . 1 . .
C C1 0.303(3) 1.223(3) 0.2405(14) 0.109(7) Uani d U . D 1 . .
H H1A 0.2895 1.1676 0.2013 0.164 Uiso calc U . R 1 . .
H H1B 0.4255 1.2397 0.2363 0.164 Uiso calc U . R 1 . .
H H1C 0.2359 1.3053 0.23 0.164 Uiso calc U . R 1 . .
C C2 0.238(3) 1.1549(19) 0.3253(14) 0.098(5) Uani d U . D 1 . .
H H2A 0.3069 1.1781 0.364 0.118 Uiso calc U . R 1 . .
H H2B 0.1155 1.1819 0.3417 0.118 Uiso calc U . R 1 . .
C C3 0.258(3) 1.0078(19) 0.3236(12) 0.088(5) Uani d U . D 1 . .
H H3A 0.3811 0.9801 0.3086 0.106 Uiso calc U . R 1 . .
H H3B 0.1914 0.9846 0.2841 0.106 Uiso calc U . R 1 . .
C C4 0.189(3) 0.9412(19) 0.4082(12) 0.087(5) Uani d U . D 1 . .
H H4A 0.2524 0.9669 0.4479 0.105 Uiso calc U . R 1 . .
H H4B 0.0645 0.9664 0.4225 0.105 Uiso calc U . R 1 . .
C C5 0.215(3) 0.794(2) 0.4074(17) 0.097(6) Uani d U . D 1 . .
H H5A 0.1594 0.7723 0.3637 0.116 Uiso calc U . R 1 . .
H H5B 0.3399 0.7711 0.3952 0.116 Uiso calc U . R 1 . .
C C6 0.092(3) 0.646(3) 0.532(2) 0.100(7) Uani d U . . 1 . .
C C7 -0.091(3) 0.415(2) 0.7239(19) 0.084(6) Uani d U . . 1 . .
C C8 -0.155(3) 0.361(2) 0.7917(19) 0.084(6) Uani d U . . 1 . .
C C9 0.875(3) 0.715(2) -0.0206(13) 0.096(7) Uani d U . D 1 . .
H H9A 0.7738 0.7503 -0.0456 0.144 Uiso calc U . R 1 . .
H H9B 0.9556 0.6695 -0.0583 0.144 Uiso calc U . R 1 . .
H H9C 0.9317 0.7854 -0.0062 0.144 Uiso calc U . R 1 . .
C C10 0.816(2) 0.6192(17) 0.0551(10) 0.072(4) Uani d U . D 1 . .
H H10A 0.9173 0.5641 0.0706 0.087 Uiso calc U . R 1 . .
H H10B 0.7326 0.562 0.0431 0.087 Uiso calc U . R 1 . .
C C11 0.731(2) 0.6885(15) 0.1257(9) 0.068(4) Uani d U . D 1 . .
H H11A 0.817 0.7401 0.1411 0.081 Uiso calc U . R 1 . .
H H11B 0.6346 0.7483 0.1095 0.081 Uiso calc U . R 1 . .
C C12 0.663(2) 0.5884(15) 0.1974(9) 0.063(4) Uani d U . D 1 . .
H H12A 0.7594 0.5282 0.2136 0.076 Uiso calc U . R 1 . .
H H12B 0.5764 0.5373 0.1824 0.076 Uiso calc U . R 1 . .
C C13 0.580(2) 0.6599(17) 0.2674(11) 0.067(4) Uani d U . D 1 . .
H H13A 0.6679 0.7086 0.2837 0.08 Uiso calc U . R 1 . .
H H13B 0.4864 0.7221 0.2508 0.08 Uiso calc U . R 1 . .
C C14 0.460(2) 0.4903(18) 0.3861(14) 0.059(4) Uani d U . . 1 . .
C C15 0.314(3) 0.215(2) 0.5561(15) 0.072(5) Uani d U . . 1 . .
C C16 0.281(2) 0.118(2) 0.6101(14) 0.070(5) Uani d U . . 1 . .
C C17 -0.223(2) 0.293(2) 0.8647(16) 0.088(5) Uani d U . D 1 . .
C C18 -0.2925(19) 0.359(3) 0.9277(12) 0.091(5) Uani d U . D 1 . .
H H18 -0.2905 0.451 0.9186 0.109 Uiso calc U . R 1 . .
C C19 -0.365(2) 0.302(2) 1.0029(15) 0.098(5) Uani d U . D 1 . .
H H19 -0.412 0.3513 1.0441 0.117 Uiso calc U . R 1 . .
C C20 -0.365(3) 0.168(2) 1.0143(17) 0.100(5) Uani d U . D 1 . .
H H20 -0.4122 0.1241 1.0651 0.12 Uiso calc U . R 1 . .
C C21 -0.297(3) 0.094(3) 0.9545(13) 0.103(5) Uani d U . D 1 . .
H H21 -0.2967 0.0027 0.964 0.124 Uiso calc U . R 1 . .
C C22 -0.231(3) 0.160(2) 0.8803(16) 0.097(5) Uani d U . D 1 . .
H H22 -0.189 0.1107 0.8384 0.116 Uiso calc U . R 1 . .
C C23 0.2480(19) 0.0099(16) 0.6654(10) 0.059(4) Uani d U . D 1 . .
C C24 0.1748(18) 0.0226(19) 0.7425(9) 0.067(4) Uani d U . D 1 . .
H H24 0.1454 0.1062 0.7572 0.081 Uiso calc U . R 1 . .
C C25 0.144(2) -0.0861(14) 0.7984(12) 0.073(4) Uani d U . D 1 . .
H H25 0.0965 -0.0756 0.8517 0.087 Uiso calc U . R 1 . .
C C26 0.181(2) -0.2092(18) 0.7796(11) 0.073(4) Uani d U . D 1 . .
H H26 0.154 -0.2823 0.8189 0.088 Uiso calc U . R 1 . .
C C27 0.258(2) -0.2258(19) 0.7037(10) 0.076(4) Uani d U . D 1 . .
H H27 0.2893 -0.3093 0.6893 0.091 Uiso calc U . R 1 . .
C C28 0.286(2) -0.1148(14) 0.6494(12) 0.067(4) Uani d U . D 1 . .
H H28 0.3361 -0.1254 0.5964 0.081 Uiso calc U . R 1 . .
N N1 0.145(2) 0.716(2) 0.4812(17) 0.098(7) Uani d U . . 1 . .
N N2 0.512(2) 0.5660(16) 0.3332(13) 0.070(4) Uani d U . . 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 C7 . 1.94(3) ?
Au1 C6 . 1.97(3) ?
Au2 C15 . 1.93(3) ?
Au2 C14 . 1.94(2) ?
C1 C2 . 1.542(7) ?
C1 H1A . 0.98 ?
C1 H1B . 0.98 ?
C1 H1C . 0.98 ?
C2 C3 . 1.542(7) ?
C2 H2A . 0.99 ?
C2 H2B . 0.99 ?
C3 C4 . 1.542(7) ?
C3 H3A . 0.99 ?
C3 H3B . 0.99 ?
C4 C5 . 1.541(7) ?
C4 H4A . 0.99 ?
C4 H4B . 0.99 ?
C5 N1 . 1.45(3) ?
C5 H5A . 0.99 ?
C5 H5B . 0.99 ?
C6 N1 . 1.09(4) ?
C7 C8 . 1.26(4) ?
C8 C17 . 1.38(4) ?
C9 C10 . 1.541(7) ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C10 C11 . 1.541(7) ?
C10 H10A . 0.99 ?
C10 H10B . 0.99 ?
C11 C12 . 1.540(7) ?
C11 H11A . 0.99 ?
C11 H11B . 0.99 ?
C12 C13 . 1.542(7) ?
C12 H12A . 0.99 ?
C12 H12B . 0.99 ?
C13 N2 . 1.44(3) ?
C13 H13A . 0.99 ?
C13 H13B . 0.99 ?
C14 N2 . 1.15(3) ?
C15 C16 . 1.28(3) ?
C16 C23 . 1.37(3) ?
C17 C18 . 1.388(12) ?
C17 C22 . 1.389(12) ?
C18 C19 . 1.387(12) ?
C18 H18 . 0.95 ?
C19 C20 . 1.390(12) ?
C19 H19 . 0.95 ?
C20 C21 . 1.388(12) ?
C20 H20 . 0.95 ?
C21 C22 . 1.388(12) ?
C21 H21 . 0.95 ?
C22 H22 . 0.95 ?
C23 C28 . 1.377(11) ?
C23 C24 . 1.377(11) ?
C24 C25 . 1.378(11) ?
C24 H24 . 0.95 ?
C25 C26 . 1.376(11) ?
C25 H25 . 0.95 ?
C26 C27 . 1.374(11) ?
C26 H26 . 0.95 ?
C27 C28 . 1.379(11) ?
C27 H27 . 0.95 ?
C28 H28 . 0.95 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C7 Au1 C6 . . 179.4(10) ?
C15 Au2 C14 . . 175.0(8) ?
C2 C1 H1A . . 109.5 ?
C2 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
C2 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
C3 C2 C1 . . 107.7(19) ?
C3 C2 H2A . . 110.2 ?
C1 C2 H2A . . 110.2 ?
C3 C2 H2B . . 110.2 ?
C1 C2 H2B . . 110.2 ?
H2A C2 H2B . . 108.5 ?
C2 C3 C4 . . 107.0(17) ?
C2 C3 H3A . . 110.3 ?
C4 C3 H3A . . 110.3 ?
C2 C3 H3B . . 110.3 ?
C4 C3 H3B . . 110.3 ?
H3A C3 H3B . . 108.6 ?
C5 C4 C3 . . 107.1(18) ?
C5 C4 H4A . . 110.3 ?
C3 C4 H4A . . 110.3 ?
C5 C4 H4B . . 110.3 ?
C3 C4 H4B . . 110.3 ?
H4A C4 H4B . . 108.6 ?
N1 C5 C4 . . 115.(2) ?
N1 C5 H5A . . 108.6 ?
C4 C5 H5A . . 108.6 ?
N1 C5 H5B . . 108.6 ?
C4 C5 H5B . . 108.6 ?
H5A C5 H5B . . 107.6 ?
N1 C6 Au1 . . 175.(3) ?
C8 C7 Au1 . . 169.(2) ?
C7 C8 C17 . . 176.(3) ?
C10 C9 H9A . . 109.5 ?
C10 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C10 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C9 C10 C11 . . 112.4(15) ?
C9 C10 H10A . . 109.1 ?
C11 C10 H10A . . 109.1 ?
C9 C10 H10B . . 109.1 ?
C11 C10 H10B . . 109.1 ?
H10A C10 H10B . . 107.9 ?
C12 C11 C10 . . 110.0(13) ?
C12 C11 H11A . . 109.7 ?
C10 C11 H11A . . 109.7 ?
C12 C11 H11B . . 109.7 ?
C10 C11 H11B . . 109.7 ?
H11A C11 H11B . . 108.2 ?
C11 C12 C13 . . 109.0(13) ?
C11 C12 H12A . . 109.9 ?
C13 C12 H12A . . 109.9 ?
C11 C12 H12B . . 109.9 ?
C13 C12 H12B . . 109.9 ?
H12A C12 H12B . . 108.3 ?
N2 C13 C12 . . 108.7(14) ?
N2 C13 H13A . . 110.0 ?
C12 C13 H13A . . 110.0 ?
N2 C13 H13B . . 110.0 ?
C12 C13 H13B . . 110.0 ?
H13A C13 H13B . . 108.3 ?
N2 C14 Au2 . . 177.6(19) ?
C16 C15 Au2 . . 176.3(18) ?
C15 C16 C23 . . 177.(2) ?
C8 C17 C18 . . 120.(2) ?
C8 C17 C22 . . 124.(2) ?
C18 C17 C22 . . 116.(2) ?
C19 C18 C17 . . 125.(3) ?
C19 C18 H18 . . 117.4 ?
C17 C18 H18 . . 117.4 ?
C18 C19 C20 . . 116.(2) ?
C18 C19 H19 . . 122.1 ?
C20 C19 H19 . . 122.1 ?
C21 C20 C19 . . 123.(3) ?
C21 C20 H20 . . 118.7 ?
C19 C20 H20 . . 118.7 ?
C20 C21 C22 . . 118.(3) ?
C20 C21 H21 . . 121.0 ?
C22 C21 H21 . . 121.0 ?
C21 C22 C17 . . 123.(2) ?
C21 C22 H22 . . 118.5 ?
C17 C22 H22 . . 118.5 ?
C16 C23 C28 . . 123.9(16) ?
C16 C23 C24 . . 120.1(16) ?
C28 C23 C24 . . 116.0(17) ?
C23 C24 C25 . . 119.9(18) ?
C23 C24 H24 . . 120.0 ?
C25 C24 H24 . . 120.0 ?
C26 C25 C24 . . 122.2(19) ?
C26 C25 H25 . . 118.9 ?
C24 C25 H25 . . 118.9 ?
C27 C26 C25 . . 119.5(19) ?
C27 C26 H26 . . 120.3 ?
C25 C26 H26 . . 120.3 ?
C26 C27 C28 . . 116.6(19) ?
C26 C27 H27 . . 121.7 ?
C28 C27 H27 . . 121.7 ?
C23 C28 C27 . . 125.7(18) ?
C23 C28 H28 . . 117.2 ?
C27 C28 H28 . . 117.2 ?
C6 N1 C5 . . 172.(3) ?
C14 N2 C13 . . 179.(2) ?



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane/dichloromethane'
_exptl_crystal_preparation       Luminescent
