# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_IDA-170-4
_database_code_depnum_ccdc_archive 'CCDC 1820938'
_audit_update_record             
;
2018-01-31 deposited with the CCDC.
2018-04-24 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C30 H24 Au2 F10 N2 O5'
_chemical_formula_moiety         'C30 H24 Au2 F10 N2 O5'
_chemical_formula_weight         1076.45
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.5053(14)
_cell_length_b                   11.0003(18)
_cell_length_c                   14.675(2)
_cell_angle_alpha                79.575(5)
_cell_angle_beta                 87.376(4)
_cell_angle_gamma                86.965(5)
_cell_volume                     1664.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9565
_cell_measurement_theta_min      3.11
_cell_measurement_theta_max      27.52
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.248
_exptl_crystal_size_mid          0.149
_exptl_crystal_size_min          0.123
_exptl_crystal_density_diffrn    2.148
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1012.00
_exptl_absorpt_coefficient_mu    8.932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.047
_exptl_absorpt_correction_T_max  0.333

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

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            16335
_diffrn_reflns_av_R_equivalents  0.1532
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         3.103
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             7488
_reflns_number_gt                3991
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.1349
_refine_ls_R_factor_gt           0.0757
_refine_ls_wR_factor_ref         0.2389
_refine_ls_wR_factor_gt          0.1695
_refine_ls_number_restraints     347
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         7488
_refine_ls_number_parameters     486
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0680P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         2.18
_refine_diff_density_min         -3.50
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Au Au -2.0133 8.8022
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au -0.02538(5) 0.53277(5) 0.11799(5) 0.0437(2) Uani 1 1 d . . . . .
Au2 Au 0.88926(6) 0.44835(6) 0.32455(5) 0.0487(2) Uani 1 1 d . . . . .
F1 F -0.0894(8) 0.8182(9) 0.1288(9) 0.065(3) Uani 1 1 d . . . . .
F2 F -0.3034(9) 0.9617(9) 0.0962(9) 0.073(3) Uani 1 1 d . . . . .
F3 F -0.5156(8) 0.8690(8) 0.0448(7) 0.054(2) Uani 1 1 d . . . . .
F4 F -0.5159(8) 0.6287(9) 0.0247(8) 0.058(3) Uani 1 1 d . . . . .
F5 F -0.3017(8) 0.4820(8) 0.0558(8) 0.060(3) Uani 1 1 d . . . . .
F6 F 1.1675(10) 0.3279(11) 0.3768(9) 0.074(3) Uani 1 1 d . . . . .
F7 F 1.3666(10) 0.4162(14) 0.4473(9) 0.098(5) Uani 1 1 d . . . . .
F8 F 1.3517(11) 0.6504(14) 0.4910(9) 0.097(5) Uani 1 1 d . . . . .
F9 F 1.1365(13) 0.7899(13) 0.4588(10) 0.100(5) Uani 1 1 d . . . . .
F10 F 0.9357(11) 0.7097(11) 0.3831(9) 0.078(3) Uani 1 1 d . . . . .
O1 O 0.0579(13) 0.1116(16) 0.1190(13) 0.098(6) Uani 1 1 d . . . . .
O2 O -0.1182(13) 0.1204(15) 0.2082(12) 0.087(4) Uani 1 1 d . U . . .
O3 O 0.4250(12) 0.7729(11) 0.2653(9) 0.061(3) Uani 1 1 d . U . . .
N1 N 0.2218(12) 0.3683(12) 0.1597(10) 0.046(3) Uani 1 1 d . . . . .
N2 N 0.6515(12) 0.3326(12) 0.2615(9) 0.041(3) Uani 1 1 d . . . . .
C1 C 0.4405(13) 0.3544(15) 0.2100(11) 0.041(3) Uani 1 1 d . U . . .
H1 H 0.4378 0.4393 0.2154 0.049 Uiso 1 1 calc R U . . .
C2 C 0.3325(13) 0.2972(14) 0.1800(11) 0.040(3) Uani 1 1 d . U . . .
C3 C 0.3430(14) 0.1770(15) 0.1710(12) 0.046(3) Uani 1 1 d . U . . .
H3 H 0.2708 0.1404 0.1523 0.055 Uiso 1 1 calc R U . . .
C4 C 0.4539(14) 0.1050(15) 0.1878(15) 0.058(4) Uani 1 1 d . U . . .
H4 H 0.4584 0.0218 0.1781 0.069 Uiso 1 1 calc R U . . .
C5 C 0.5576(15) 0.1546(15) 0.2185(14) 0.054(4) Uani 1 1 d . U . . .
H5 H 0.6345 0.1064 0.2316 0.065 Uiso 1 1 calc R U . . .
C6 C 0.5463(13) 0.2787(14) 0.2300(14) 0.050(4) Uani 1 1 d . U . . .
C7 C 0.1251(17) 0.4302(14) 0.1443(12) 0.050(4) Uani 1 1 d . . . . .
C8 C -0.1859(15) 0.6439(14) 0.0936(10) 0.044(4) Uani 1 1 d . U . . .
C9 C -0.1942(13) 0.7673(15) 0.1013(13) 0.047(4) Uani 1 1 d . U . . .
C10 C -0.3025(16) 0.8395(15) 0.0869(13) 0.051(4) Uani 1 1 d . U . . .
C11 C -0.4102(14) 0.7958(16) 0.0631(13) 0.052(4) Uani 1 1 d . U . . .
C12 C -0.4084(14) 0.6738(14) 0.0513(13) 0.045(4) Uani 1 1 d . U . . .
C13 C -0.2982(13) 0.6032(15) 0.0659(14) 0.048(4) Uani 1 1 d . U . . .
C14 C 0.7394(17) 0.3743(15) 0.2846(12) 0.048(4) Uani 1 1 d . . . . .
C15 C 1.0396(16) 0.5201(18) 0.3729(12) 0.057(4) Uani 1 1 d . U . . .
C16 C 1.1550(16) 0.444(2) 0.3930(13) 0.058(4) Uani 1 1 d . U . . .
C17 C 1.2554(18) 0.494(2) 0.4352(15) 0.072(5) Uani 1 1 d . U . . .
C18 C 1.2477(18) 0.608(2) 0.4549(13) 0.062(4) Uani 1 1 d . U . . .
C19 C 1.1428(17) 0.6725(19) 0.4381(13) 0.061(4) Uani 1 1 d . U . . .
C20 C 1.0417(19) 0.631(2) 0.3989(14) 0.068(5) Uani 1 1 d . U . . .
C21 C -0.128(2) 0.202(2) 0.0510(18) 0.094(8) Uani 1 1 d . . . . .
H21A H -0.1105 0.1639 -0.0040 0.141 Uiso 1 1 calc R U . . .
H21B H -0.1095 0.2898 0.0361 0.141 Uiso 1 1 calc R U . . .
H21C H -0.2181 0.1935 0.0707 0.141 Uiso 1 1 calc R U . . .
C22 C -0.0484(15) 0.1404(18) 0.1253(18) 0.065(6) Uani 1 1 d . . . . .
C23 C -0.025(4) 0.092(5) 0.280(3) 0.087(8) Uani 0.56(3) 1 d D U P A 1
H23A H 0.0089 0.1687 0.2948 0.104 Uiso 0.56(3) 1 calc R U P A 1
H23B H 0.0471 0.0386 0.2620 0.104 Uiso 0.56(3) 1 calc R U P A 1
C24 C -0.107(4) 0.024(5) 0.361(3) 0.087(11) Uani 0.56(3) 1 d D U P A 1
H24A H -0.1802 -0.0090 0.3362 0.131 Uiso 0.56(3) 1 calc R U P A 1
H24B H -0.1373 0.0825 0.4012 0.131 Uiso 0.56(3) 1 calc R U P A 1
H24C H -0.0558 -0.0434 0.3962 0.131 Uiso 0.56(3) 1 calc R U P A 1
C25 C 0.2246(17) 0.8266(19) 0.2019(16) 0.070(5) Uani 1 1 d . U . . .
H25A H 0.2485 0.9013 0.2233 0.104 Uiso 1 1 calc R U . . .
H25B H 0.1434 0.7992 0.2322 0.104 Uiso 1 1 calc R U . . .
H25C H 0.2156 0.8448 0.1345 0.104 Uiso 1 1 calc R U . . .
C26 C 0.3234(17) 0.7289(19) 0.2250(15) 0.063(4) Uani 1 1 d . U . . .
H26A H 0.2871 0.6588 0.2686 0.076 Uiso 0.46(3) 1 calc R U P B 2
H26B H 0.3543 0.6985 0.1680 0.076 Uiso 0.46(3) 1 calc R U P B 2
C28 C 0.620(2) 0.758(2) 0.3333(19) 0.091(7) Uani 1 1 d . U . . .
H28A H 0.6043 0.8473 0.3156 0.136 Uiso 1 1 calc R U . . .
H28B H 0.7060 0.7348 0.3109 0.136 Uiso 1 1 calc R U . . .
H28C H 0.6139 0.7341 0.4009 0.136 Uiso 1 1 calc R U . . .
C27 C 0.5285(19) 0.6952(18) 0.2932(15) 0.064(4) Uani 1 1 d . U . . .
H27A H 0.5682 0.6634 0.2391 0.077 Uiso 0.54(3) 1 calc R U P B 1
H27B H 0.4996 0.6236 0.3391 0.077 Uiso 0.54(3) 1 calc R U P B 1
O4A O 0.508(3) 0.586(3) 0.276(3) 0.080(10) Uani 0.46(3) 1 d . U P B 2
O4 O 0.335(2) 0.625(2) 0.219(2) 0.071(8) Uani 0.54(3) 1 d . U P B 1
C24A C -0.050(6) 0.096(6) 0.356(4) 0.087(11) Uani 0.44(3) 1 d D U P A 2
H24D H -0.1351 0.1153 0.3805 0.131 Uiso 0.44(3) 1 calc R U P A 2
H24E H -0.0109 0.1725 0.3254 0.131 Uiso 0.44(3) 1 calc R U P A 2
H24F H 0.0032 0.0540 0.4061 0.131 Uiso 0.44(3) 1 calc R U P A 2
C23A C -0.061(5) 0.011(5) 0.284(4) 0.084(8) Uani 0.44(3) 1 d D U P A 2
H23C H -0.1203 -0.0563 0.3050 0.101 Uiso 0.44(3) 1 calc R U P A 2
H23D H 0.0231 -0.0238 0.2648 0.101 Uiso 0.44(3) 1 calc R U P A 2
C29 C 0.327(3) 0.037(4) 0.429(2) 0.158(14) Uani 1 1 d . U . . .
H29A H 0.2373 0.0189 0.4451 0.237 Uiso 1 1 calc R U . C .
H29B H 0.3552 0.0007 0.3751 0.237 Uiso 1 1 calc R U . . .
H29C H 0.3359 0.1264 0.4155 0.237 Uiso 1 1 calc R U . . .
O5 O 0.368(3) -0.069(4) 0.588(3) 0.114(11) Uani 0.5 1 d . U P C -1
C30 C 0.400(4) -0.014(5) 0.503(3) 0.171(14) Uani 1 1 d . U . C -1
O6 O 0.501(6) 0.001(9) 0.471(3) 0.17(2) Uani 0.5 1 d . U P C -1


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXT Version 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.3 (Rigaku, 2016)'
_computing_molecular_graphics    'CrystalStructure 4.2.3'

#==============================================================================
# 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 C7 1.906(16) . ?
Au1 C8 2.036(15) . ?
Au1 Au2 3.1106(10) 1_455 ?
Au2 C14 1.969(18) . ?
Au2 C15 2.014(15) . ?
Au2 Au1 3.1106(10) 1_655 ?
F1 C9 1.370(15) . ?
F2 C10 1.374(18) . ?
F3 C11 1.341(17) . ?
F4 C12 1.357(15) . ?
F5 C13 1.370(18) . ?
F6 C16 1.34(2) . ?
F7 C17 1.41(3) . ?
F8 C18 1.375(19) . ?
F9 C19 1.38(2) . ?
F10 C20 1.37(2) . ?
O1 C22 1.15(2) . ?
O2 C22 1.38(3) . ?
O2 C23 1.45(4) . ?
O2 C23A 1.60(6) . ?
O3 C27 1.38(2) . ?
O3 C26 1.39(2) . ?
N1 C7 1.200(19) . ?
N1 C2 1.379(18) . ?
N2 C14 1.143(19) . ?
N2 C6 1.416(18) . ?
C1 C6 1.36(2) . ?
C1 C2 1.45(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.35(2) . ?
C3 C4 1.38(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.37(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.40(2) . ?
C5 H5 0.9500 . ?
C8 C9 1.38(2) . ?
C8 C13 1.386(19) . ?
C9 C10 1.36(2) . ?
C10 C11 1.34(2) . ?
C11 C12 1.38(2) . ?
C12 C13 1.36(2) . ?
C15 C20 1.35(3) . ?
C15 C16 1.45(3) . ?
C16 C17 1.43(2) . ?
C17 C18 1.33(3) . ?
C18 C19 1.29(3) . ?
C19 C20 1.37(2) . ?
C21 C22 1.45(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C23 C24 1.54(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.46(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 O4 1.17(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C28 C27 1.42(3) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C27 O4A 1.30(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C24A C23A 1.53(2) . ?
C24A H24D 0.9800 . ?
C24A H24E 0.9800 . ?
C24A H24F 0.9800 . ?
C23A H23C 0.9900 . ?
C23A H23D 0.9900 . ?
C29 C30 1.38(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
O5 C30 1.32(5) . ?
C30 O6 1.14(7) . ?

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
C7 Au1 C8 178.3(7) . . ?
C7 Au1 Au2 87.1(5) . 1_455 ?
C8 Au1 Au2 91.6(4) . 1_455 ?
C14 Au2 C15 176.8(7) . . ?
C14 Au2 Au1 89.7(5) . 1_655 ?
C15 Au2 Au1 93.6(5) . 1_655 ?
C22 O2 C23 105.5(19) . . ?
C22 O2 C23A 114(2) . . ?
C27 O3 C26 120.1(15) . . ?
C7 N1 C2 178.4(17) . . ?
C14 N2 C6 177.4(16) . . ?
C6 C1 C2 115.7(14) . . ?
C6 C1 H1 122.1 . . ?
C2 C1 H1 122.1 . . ?
C3 C2 N1 121.7(13) . . ?
C3 C2 C1 119.6(13) . . ?
N1 C2 C1 118.7(13) . . ?
C2 C3 C4 122.8(14) . . ?
C2 C3 H3 118.6 . . ?
C4 C3 H3 118.6 . . ?
C5 C4 C3 119.6(15) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 117.8(14) . . ?
C4 C5 H5 121.1 . . ?
C6 C5 H5 121.1 . . ?
C1 C6 C5 124.4(13) . . ?
C1 C6 N2 116.3(14) . . ?
C5 C6 N2 119.3(13) . . ?
N1 C7 Au1 178.2(16) . . ?
C9 C8 C13 113.0(13) . . ?
C9 C8 Au1 123.9(10) . . ?
C13 C8 Au1 123.1(12) . . ?
C10 C9 F1 118.1(14) . . ?
C10 C9 C8 123.3(13) . . ?
F1 C9 C8 118.5(12) . . ?
C11 C10 C9 121.9(15) . . ?
C11 C10 F2 118.2(14) . . ?
C9 C10 F2 119.9(13) . . ?
C10 C11 F3 121.7(16) . . ?
C10 C11 C12 118.2(14) . . ?
F3 C11 C12 120.0(13) . . ?
F4 C12 C13 122.2(14) . . ?
F4 C12 C11 119.0(13) . . ?
C13 C12 C11 118.8(13) . . ?
C12 C13 F5 116.8(12) . . ?
C12 C13 C8 124.8(14) . . ?
F5 C13 C8 118.4(12) . . ?
N2 C14 Au2 179.1(14) . . ?
C20 C15 C16 113.4(16) . . ?
C20 C15 Au2 126.5(15) . . ?
C16 C15 Au2 119.7(14) . . ?
F6 C16 C17 120.0(18) . . ?
F6 C16 C15 121.9(14) . . ?
C17 C16 C15 118(2) . . ?
C18 C17 F7 123.2(15) . . ?
C18 C17 C16 123(2) . . ?
F7 C17 C16 114(2) . . ?
C19 C18 C17 117.8(17) . . ?
C19 C18 F8 124(2) . . ?
C17 C18 F8 118.6(18) . . ?
C18 C19 C20 123(2) . . ?
C18 C19 F9 117.0(15) . . ?
C20 C19 F9 119.8(18) . . ?
C15 C20 C19 125(2) . . ?
C15 C20 F10 117.7(15) . . ?
C19 C20 F10 117.6(19) . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O1 C22 O2 123(2) . . ?
O1 C22 C21 127(2) . . ?
O2 C22 C21 110.3(15) . . ?
O2 C23 C24 100(3) . . ?
O2 C23 H23A 111.7 . . ?
C24 C23 H23A 111.7 . . ?
O2 C23 H23B 111.7 . . ?
C24 C23 H23B 111.7 . . ?
H23A C23 H23B 109.4 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O4 C26 O3 114.3(19) . . ?
O4 C26 C25 135(2) . . ?
O3 C26 C25 110.6(17) . . ?
O3 C26 H26A 109.5 . . ?
C25 C26 H26A 109.5 . . ?
O3 C26 H26B 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
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 . . ?
O4A C27 O3 108.2(19) . . ?
O4A C27 C28 141(2) . . ?
O3 C27 C28 111.1(18) . . ?
O3 C27 H27A 109.4 . . ?
C28 C27 H27A 109.4 . . ?
O3 C27 H27B 109.4 . . ?
C28 C27 H27B 109.4 . . ?
H27A C27 H27B 108.0 . . ?
C23A C24A H24D 109.5 . . ?
C23A C24A H24E 109.5 . . ?
H24D C24A H24E 109.5 . . ?
C23A C24A H24F 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 109.5 . . ?
C24A C23A O2 93(4) . . ?
C24A C23A H23C 113.1 . . ?
O2 C23A H23C 113.1 . . ?
C24A C23A H23D 113.1 . . ?
O2 C23A H23D 113.1 . . ?
H23C C23A H23D 110.5 . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C30 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O6 C30 O5 128(6) . . ?
O6 C30 C29 101(5) . . ?
O5 C30 C29 131(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -2(2) . . . . ?
C6 C1 C2 N1 179.3(16) . . . . ?
N1 C2 C3 C4 177.7(17) . . . . ?
C1 C2 C3 C4 -1(3) . . . . ?
C2 C3 C4 C5 3(3) . . . . ?
C3 C4 C5 C6 -1(3) . . . . ?
C2 C1 C6 C5 4(3) . . . . ?
C2 C1 C6 N2 -178.5(14) . . . . ?
C4 C5 C6 C1 -2(3) . . . . ?
C4 C5 C6 N2 -179.9(17) . . . . ?
C13 C8 C9 C10 3(3) . . . . ?
Au1 C8 C9 C10 -178.4(14) . . . . ?
C13 C8 C9 F1 179.5(15) . . . . ?
Au1 C8 C9 F1 -1(2) . . . . ?
F1 C9 C10 C11 -177.6(17) . . . . ?
C8 C9 C10 C11 -1(3) . . . . ?
F1 C9 C10 F2 3(3) . . . . ?
C8 C9 C10 F2 179.7(17) . . . . ?
C9 C10 C11 F3 -176.9(17) . . . . ?
F2 C10 C11 F3 3(3) . . . . ?
C9 C10 C11 C12 -1(3) . . . . ?
F2 C10 C11 C12 178.3(17) . . . . ?
C10 C11 C12 F4 -178.3(16) . . . . ?
F3 C11 C12 F4 -3(3) . . . . ?
C10 C11 C12 C13 1(3) . . . . ?
F3 C11 C12 C13 176.8(17) . . . . ?
F4 C12 C13 F5 -2(3) . . . . ?
C11 C12 C13 F5 178.3(17) . . . . ?
F4 C12 C13 C8 -179.6(16) . . . . ?
C11 C12 C13 C8 1(3) . . . . ?
C9 C8 C13 C12 -3(3) . . . . ?
Au1 C8 C13 C12 178.2(15) . . . . ?
C9 C8 C13 F5 180.0(16) . . . . ?
Au1 C8 C13 F5 1(2) . . . . ?
C20 C15 C16 F6 176.2(18) . . . . ?
Au2 C15 C16 F6 3(2) . . . . ?
C20 C15 C16 C17 -1(3) . . . . ?
Au2 C15 C16 C17 -174.4(14) . . . . ?
F6 C16 C17 C18 -178(2) . . . . ?
C15 C16 C17 C18 -1(3) . . . . ?
F6 C16 C17 F7 6(3) . . . . ?
C15 C16 C17 F7 -176.6(16) . . . . ?
F7 C17 C18 C19 177.7(18) . . . . ?
C16 C17 C18 C19 3(3) . . . . ?
F7 C17 C18 F8 -2(3) . . . . ?
C16 C17 C18 F8 -176.7(17) . . . . ?
C17 C18 C19 C20 -2(3) . . . . ?
F8 C18 C19 C20 177.5(18) . . . . ?
C17 C18 C19 F9 -179.9(19) . . . . ?
F8 C18 C19 F9 -1(3) . . . . ?
C16 C15 C20 C19 2(3) . . . . ?
Au2 C15 C20 C19 174.7(15) . . . . ?
C16 C15 C20 F10 -179.6(16) . . . . ?
Au2 C15 C20 F10 -7(3) . . . . ?
C18 C19 C20 C15 -1(3) . . . . ?
F9 C19 C20 C15 177(2) . . . . ?
C18 C19 C20 F10 -179.0(19) . . . . ?
F9 C19 C20 F10 -1(3) . . . . ?
C23 O2 C22 O1 16(3) . . . . ?
C23A O2 C22 O1 -23(3) . . . . ?
C23 O2 C22 C21 -164(3) . . . . ?
C23A O2 C22 C21 157(2) . . . . ?
C22 O2 C23 C24 -159(3) . . . . ?
C27 O3 C26 O4 0(3) . . . . ?
C27 O3 C26 C25 179.5(18) . . . . ?
C26 O3 C27 O4A -1(3) . . . . ?
C26 O3 C27 C28 -179.3(19) . . . . ?
C22 O2 C23A C24A 122(4) . . . . ?

#==============================================================================

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





#==============================================================================
#     End of CIF
#==============================================================================
_chemical_name_systematic        Gold-complex
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: ethyl acetate'
_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_IDA-186
_database_code_depnum_ccdc_archive 'CCDC 1822803'
_audit_update_record             
;
2018-02-08 deposited with the CCDC.
2018-04-24 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C24 H12 Au2 F10 N2 O'
_chemical_formula_moiety         'C24 H12 Au2 F10 N2 O'
_chemical_formula_weight         928.29
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.5280(9)
_cell_length_b                   11.5191(11)
_cell_length_c                   11.8538(11)
_cell_angle_alpha                70.006(2)
_cell_angle_beta                 70.754(2)
_cell_angle_gamma                67.223(3)
_cell_volume                     1212.85(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7219
_cell_measurement_theta_min      3.04
_cell_measurement_theta_max      27.49
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.133
_exptl_crystal_size_mid          0.101
_exptl_crystal_size_min          0.042
_exptl_crystal_density_diffrn    2.542
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             852.00
_exptl_absorpt_coefficient_mu    12.224
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.106
_exptl_absorpt_correction_T_max  0.598

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

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            9607
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_theta_max         25.048
_diffrn_reflns_theta_min         3.045
_diffrn_reflns_theta_full        25.048
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

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

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             4294
_reflns_number_gt                2696
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.1062
_refine_ls_R_factor_gt           0.0689
_refine_ls_wR_factor_ref         0.2219
_refine_ls_wR_factor_gt          0.1783
_refine_ls_number_restraints     40
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         4294
_refine_ls_number_parameters     352
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1282P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         2.61
_refine_diff_density_min         -3.82
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Au Au -2.0133 8.8022
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 1.09777(8) 0.66942(7) 0.30769(7) 0.0475(3) Uani 1 2 d . . .
Au2 Au 0.00897(8) 0.79391(7) 0.54450(7) 0.0480(3) Uani 1 2 d . . .
F1A F -0.2671(14) 0.5124(12) 0.9314(12) 0.069(3) Uani 1 2 d . . .
F2B F -0.5409(13) 0.8320(14) 0.6570(13) 0.071(4) Uani 1 2 d . . .
F3 F 1.3288(12) 0.7787(10) 0.0991(11) 0.054(3) Uani 1 2 d . . .
F4 F 1.3177(13) 0.4464(11) 0.4668(10) 0.056(3) Uani 1 2 d . . .
F5 F 1.6087(13) 0.7179(11) 0.0651(11) 0.060(3) Uani 1 2 d . . .
F6 F -0.3107(12) 0.8988(12) 0.5163(10) 0.058(3) Uani 1 2 d . . .
F7 F 1.5976(13) 0.3832(11) 0.4301(11) 0.060(3) Uani 1 2 d . . .
F8 F 1.7465(12) 0.5184(11) 0.2302(11) 0.058(3) Uani 1 2 d . . .
F9 F -0.0370(13) 0.5719(12) 0.7899(11) 0.065(3) Uani 1 2 d . . .
F10C F -0.5211(14) 0.6366(14) 0.8719(12) 0.067(3) Uani 1 2 d . . .
O26F O 1.099(2) 1.1114(18) 0.074(2) 0.101(4) Uani 1 2 d . . .
N22I N 0.782(2) 0.7824(17) 0.2970(15) 0.053(4) Uani 1 2 d . . .
N23D N 0.2735(19) 0.8752(16) 0.3991(18) 0.055(5) Uani 1 2 d . . .
C2E C 1.389(2) 0.5184(18) 0.3631(19) 0.049(5) Uani 1 2 d . . .
C4G C 1.310(2) 0.616(2) 0.2880(19) 0.054(5) Uani 1 2 d . . .
C6J C 1.391(2) 0.682(2) 0.1842(18) 0.048(5) Uani 1 2 d . . .
C7K C 1.528(2) 0.4801(17) 0.3464(18) 0.041(4) Uani 1 2 d . . .
C8L C -0.412(2) 0.765(2) 0.690(2) 0.054(5) Uani 1 2 d . . .
C9M C -0.163(2) 0.736(2) 0.647(2) 0.055(5) Uani 1 2 d . . .
C10N C 1.536(2) 0.6521(19) 0.1621(17) 0.048(5) Uani 1 2 d . . .
C10 C 0.514(3) 1.018(2) 0.132(2) 0.060(6) Uani 1 2 d . . .
C11O C -0.276(2) 0.6058(19) 0.8298(18) 0.049(5) Uani 1 2 d . . .
C11 C 0.889(3) 1.099(3) 0.210(3) 0.102(4) Uani 1 2 d . . .
C12P C 0.402(2) 0.9041(18) 0.3164(19) 0.044(5) Uani 1 2 d . . .
C12 C 0.878(3) 1.232(3) 0.147(3) 0.101(4) Uani 1 2 d . . .
C13Q C 0.392(2) 0.9978(18) 0.2042(18) 0.047(5) Uani 1 2 d . . .
C14R C -0.165(2) 0.640(2) 0.7544(19) 0.050(5) Uani 1 2 d . . .
C15S C 1.607(2) 0.5483(17) 0.2481(19) 0.047(5) Uani 1 2 d . . .
C16U C -0.291(2) 0.798(2) 0.6207(19) 0.050(5) Uani 1 2 d . . .
C17V C -0.405(2) 0.6705(19) 0.798(2) 0.053(5) Uani 1 2 d . . .
C18W C 0.645(2) 0.9484(16) 0.1590(17) 0.042(4) Uani 1 2 d . . .
C19X C 0.5296(19) 0.8301(18) 0.3508(16) 0.039(4) Uani 1 2 d . . .
C20Y C 0.6506(18) 0.8553(18) 0.2660(17) 0.042(4) Uani 1 2 d . . .
C21Z C 1.004(3) 1.234(3) 0.053(3) 0.100(4) Uani 1 2 d . . .
C24H C 0.178(2) 0.846(2) 0.448(2) 0.054(6) Uani 1 2 d . . .
C25T C 0.899(2) 0.730(2) 0.3103(19) 0.054(5) Uani 1 2 d . . .
C27 C 1.016(3) 1.033(3) 0.141(3) 0.103(4) Uani 1 2 d . . .
H10 H 0.50946 1.08431 0.05706 0.0720 Uiso 1 2 calc R . .
H11A H 0.89466 1.08072 0.29697 0.1224 Uiso 1 2 calc R . .
H11B H 0.8083 1.07639 0.20922 0.1224 Uiso 1 2 calc R . .
H12A H 0.79431 1.27327 0.11081 0.1217 Uiso 1 2 calc R . .
H12B H 0.86788 1.28138 0.20588 0.1217 Uiso 1 2 calc R . .
H13 H 0.30441 1.04429 0.18081 0.0569 Uiso 1 2 calc R . .
H18 H 0.72809 0.96541 0.10427 0.0502 Uiso 1 2 calc R . .
H19 H 0.53438 0.76664 0.427 0.0463 Uiso 1 2 calc R . .
H21A H 0.98328 1.25773 -0.02874 0.1203 Uiso 1 2 calc R . .
H21B H 1.04334 1.29782 0.05593 0.1203 Uiso 1 2 calc R . .
H27A H 1.06791 0.95699 0.19739 0.1235 Uiso 1 2 calc R . .
H27B H 0.99411 1.00031 0.08471 0.1235 Uiso 1 2 calc R . .



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

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Au1 C4G 2.02(2) yes . .
Au1 C25T 1.93(2) yes . .
Au2 C9M 2.03(2) yes . .
Au2 C24H 1.96(2) yes . .
F1A C11O 1.31(2) yes . .
F2B C8L 1.38(3) yes . .
F3 C6J 1.34(2) yes . .
F4 C2E 1.39(2) yes . .
F5 C10N 1.33(2) yes . .
F6 C16U 1.39(2) yes . .
F7 C7K 1.36(2) yes . .
F8 C15S 1.34(2) yes . .
F9 C14R 1.39(3) yes . .
F10C C17V 1.36(3) yes . .
O26F C21Z 1.37(3) yes . .
O26F C27 1.37(4) yes . .
N22I C20Y 1.40(3) yes . .
N22I C25T 1.18(3) yes . .
N23D C12P 1.47(3) yes . .
N23D C24H 1.10(3) yes . .
C2E C4G 1.35(3) yes . .
C2E C7K 1.33(3) yes . .
C4G C6J 1.42(3) yes . .
C6J C10N 1.38(3) yes . .
C7K C15S 1.38(3) yes . .
C8L C16U 1.38(3) yes . .
C8L C17V 1.37(3) yes . .
C9M C14R 1.37(3) yes . .
C9M C16U 1.35(3) yes . .
C10N C15S 1.42(3) yes . .
C10 C13Q 1.34(3) yes . .
C10 C18W 1.38(3) yes . .
C11O C14R 1.32(3) yes . .
C11O C17V 1.38(3) yes . .
C11 C12 1.43(4) yes . .
C11 C27 1.40(4) yes . .
C12P C13Q 1.40(3) yes . .
C12P C19X 1.39(3) yes . .
C12 C21Z 1.42(4) yes . .
C18W C20Y 1.35(2) yes . .
C19X C20Y 1.40(2) yes . .
C10 H10 0.950 no . .
C11 H11A 0.990 no . .
C11 H11B 0.990 no . .
C12 H12A 0.990 no . .
C12 H12B 0.990 no . .
C13Q H13 0.950 no . .
C18W H18 0.950 no . .
C19X H19 0.950 no . .
C21Z H21A 0.990 no . .
C21Z H21B 0.990 no . .
C27 H27A 0.990 no . .
C27 H27B 0.990 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
C4G Au1 C25T 174.6(8) yes . . .
C9M Au2 C24H 178.6(8) yes . . .
C21Z O26F C27 104(2) yes . . .
C20Y N22I C25T 172.2(18) yes . . .
C12P N23D C24H 170(3) yes . . .
F4 C2E C4G 117(2) yes . . .
F4 C2E C7K 115.8(16) yes . . .
C4G C2E C7K 127.0(19) yes . . .
Au1 C4G C2E 127.5(16) yes . . .
Au1 C4G C6J 119.4(14) yes . . .
C2E C4G C6J 113(2) yes . . .
F3 C6J C4G 120.4(18) yes . . .
F3 C6J C10N 115.9(16) yes . . .
C4G C6J C10N 123.7(17) yes . . .
F7 C7K C2E 122.4(16) yes . . .
F7 C7K C15S 117.5(18) yes . . .
C2E C7K C15S 119.7(17) yes . . .
F2B C8L C16U 121.3(18) yes . . .
F2B C8L C17V 120(2) yes . . .
C16U C8L C17V 118(2) yes . . .
Au2 C9M C14R 124.7(18) yes . . .
Au2 C9M C16U 122.2(15) yes . . .
C14R C9M C16U 113(2) yes . . .
F5 C10N C6J 122.3(16) yes . . .
F5 C10N C15S 119.8(19) yes . . .
C6J C10N C15S 117.9(17) yes . . .
C13Q C10 C18W 123.8(18) yes . . .
F1A C11O C14R 122.5(19) yes . . .
F1A C11O C17V 119.6(18) yes . . .
C14R C11O C17V 117.8(18) yes . . .
C12 C11 C27 102(2) yes . . .
N23D C12P C13Q 119.2(19) yes . . .
N23D C12P C19X 117.5(16) yes . . .
C13Q C12P C19X 123.3(18) yes . . .
C11 C12 C21Z 107(2) yes . . .
C10 C13Q C12P 116(2) yes . . .
F9 C14R C9M 117.0(19) yes . . .
F9 C14R C11O 115.8(16) yes . . .
C9M C14R C11O 127(2) yes . . .
F8 C15S C7K 122.4(16) yes . . .
F8 C15S C10N 119.2(16) yes . . .
C7K C15S C10N 118.4(19) yes . . .
F6 C16U C8L 114.3(19) yes . . .
F6 C16U C9M 121.2(19) yes . . .
C8L C16U C9M 124.5(19) yes . . .
F10C C17V C8L 121(2) yes . . .
F10C C17V C11O 119.7(17) yes . . .
C8L C17V C11O 119(2) yes . . .
C10 C18W C20Y 118.2(18) yes . . .
C12P C19X C20Y 115.7(15) yes . . .
N22I C20Y C18W 119.9(17) yes . . .
N22I C20Y C19X 117.5(15) yes . . .
C18W C20Y C19X 122.6(17) yes . . .
O26F C21Z C12 108(2) yes . . .
Au2 C24H N23D 176(3) yes . . .
Au1 C25T N22I 169.5(18) yes . . .
O26F C27 C11 111(3) yes . . .
C13Q C10 H10 118.119 no . . .
C18W C10 H10 118.117 no . . .
C12 C11 H11A 111.328 no . . .
C12 C11 H11B 111.329 no . . .
C27 C11 H11A 111.330 no . . .
C27 C11 H11B 111.330 no . . .
H11A C11 H11B 109.208 no . . .
C11 C12 H12A 110.221 no . . .
C11 C12 H12B 110.225 no . . .
C21Z C12 H12A 110.220 no . . .
C21Z C12 H12B 110.216 no . . .
H12A C12 H12B 108.495 no . . .
C10 C13Q H13 121.817 no . . .
C12P C13Q H13 121.827 no . . .
C10 C18W H18 120.889 no . . .
C20Y C18W H18 120.890 no . . .
C12P C19X H19 122.152 no . . .
C20Y C19X H19 122.147 no . . .
O26F C21Z H21A 110.197 no . . .
O26F C21Z H21B 110.195 no . . .
C12 C21Z H21A 110.190 no . . .
C12 C21Z H21B 110.190 no . . .
H21A C21Z H21B 108.481 no . . .
O26F C27 H27A 109.324 no . . .
O26F C27 H27B 109.326 no . . .
C11 C27 H27A 109.321 no . . .
C11 C27 H27B 109.328 no . . .
H27A C27 H27B 107.978 no . . .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C21Z O26F C27 C11 -28(4) no . . . .
C27 O26F C21Z C12 24(4) no . . . .
F4 C2E C4G Au1 -0(4) no . . . .
F4 C2E C4G C6J -179.2(19) no . . . .
F4 C2E C7K F7 -5(4) no . . . .
F4 C2E C7K C15S -178.0(18) no . . . .
C4G C2E C7K F7 178(2) no . . . .
C4G C2E C7K C15S 5(4) no . . . .
C7K C2E C4G Au1 177(2) no . . . .
C7K C2E C4G C6J -2(4) no . . . .
Au1 C4G C6J F3 -1(3) no . . . .
Au1 C4G C6J C10N -179.3(16) no . . . .
C2E C4G C6J F3 178(2) no . . . .
C2E C4G C6J C10N -0(4) no . . . .
F3 C6J C10N F5 3(4) no . . . .
F3 C6J C10N C15S -178.3(18) no . . . .
C4G C6J C10N F5 -179(2) no . . . .
C4G C6J C10N C15S 0(4) no . . . .
F7 C7K C15S F8 3(3) no . . . .
F7 C7K C15S C10N -178.0(18) no . . . .
C2E C7K C15S F8 176(2) no . . . .
C2E C7K C15S C10N -5(4) no . . . .
F2B C8L C16U F6 -1(4) no . . . .
F2B C8L C16U C9M -179(2) no . . . .
F2B C8L C17V F10C 3(4) no . . . .
F2B C8L C17V C11O -180(2) no . . . .
C16U C8L C17V F10C 179(2) no . . . .
C16U C8L C17V C11O -4(4) no . . . .
C17V C8L C16U F6 -177(2) no . . . .
C17V C8L C16U C9M 5(4) no . . . .
Au2 C9M C14R F9 -5(3) no . . . .
Au2 C9M C14R C11O 174.2(18) no . . . .
Au2 C9M C16U F6 4(4) no . . . .
Au2 C9M C16U C8L -177.4(17) no . . . .
C14R C9M C16U F6 179(2) no . . . .
C14R C9M C16U C8L -3(4) no . . . .
C16U C9M C14R F9 -179(2) no . . . .
C16U C9M C14R C11O -0(4) no . . . .
F5 C10N C15S F8 0(3) no . . . .
F5 C10N C15S C7K -178.6(19) no . . . .
C6J C10N C15S F8 -179(2) no . . . .
C6J C10N C15S C7K 2(3) no . . . .
C13Q C10 C18W C20Y -1(4) no . . . .
C18W C10 C13Q C12P 3(4) no . . . .
F1A C11O C14R F9 -1(4) no . . . .
F1A C11O C14R C9M -180(2) no . . . .
F1A C11O C17V F10C -1(4) no . . . .
F1A C11O C17V C8L -178(2) no . . . .
C14R C11O C17V F10C 179(2) no . . . .
C14R C11O C17V C8L 1(4) no . . . .
C17V C11O C14R F9 -180(2) no . . . .
C17V C11O C14R C9M 1(4) no . . . .
C12 C11 C27 O26F 20(4) no . . . .
C27 C11 C12 C21Z -5(4) no . . . .
N23D C12P C13Q C10 -178.8(19) no . . . .
N23D C12P C19X C20Y 176.3(19) no . . . .
C13Q C12P C19X C20Y 0(3) no . . . .
C19X C12P C13Q C10 -3(4) no . . . .
C11 C12 C21Z O26F -12(5) no . . . .
C10 C18W C20Y N22I 180(2) no . . . .
C10 C18W C20Y C19X -2(4) no . . . .
C12P C19X C20Y N22I -179.8(19) no . . . .
C12P C19X C20Y C18W 2(3) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Au1 F3 3.145(11) no . .
Au1 F4 3.237(11) no . .
Au2 F6 3.196(13) no . .
Au2 F9 3.190(11) no . .
F1A F9 2.641(19) no . .
F1A F10C 2.70(2) no . .
F1A C8L 3.57(2) no . .
F2B F6 2.674(18) no . .
F2B F10C 2.769(17) no . .
F3 F5 2.674(17) no . .
F3 C2E 3.55(2) no . .
F3 C15S 3.59(2) no . .
F4 F7 2.668(18) no . .
F4 C6J 3.59(2) no . .
F4 C15S 3.58(2) no . .
F5 F8 2.726(15) no . .
F6 C14R 3.57(2) no . .
F6 C17V 3.59(2) no . .
F7 F8 2.723(16) no . .
F8 C2E 3.57(3) no . .
F9 C16U 3.54(2) no . .
F9 C17V 3.56(3) no . .
F10C C14R 3.56(3) no . .
C2E C10N 2.71(3) no . .
C4G C15S 2.83(3) no . .
C6J C7K 2.72(3) no . .
C8L C14R 2.67(3) no . .
C9M C17V 2.80(3) no . .
C10 C19X 2.76(3) no . .
C11O C16U 2.70(3) no . .
C12P C18W 2.74(3) no . .
C13Q C20Y 2.77(3) no . .
C13Q C24H 3.43(3) no . .
C18W C25T 3.41(3) no . .
C19X C24H 3.45(3) no . .
C19X C25T 3.52(3) no . .
Au1 Au2 3.2856(13) no . 1_655
Au1 C24H 3.49(3) no . 1_655
Au2 Au1 3.2856(13) no . 1_455
F1A F5 2.94(2) no . 1_356
F1A F10C 3.187(19) no . 2_467
F1A C10N 3.32(2) no . 1_356
F1A C12 3.52(3) no . 1_446
F2B F6 3.207(16) no . 2_476
F2B F7 3.30(3) no . 2_666
F2B C7K 3.56(3) no . 2_666
F2B C11 3.37(3) no . 2_576
F2B C18W 3.52(3) no . 2_576
F2B C19X 3.46(2) no . 1_455
F3 F10C 3.26(2) no . 1_754
F3 C10 3.37(2) no . 2_775
F3 C13Q 3.52(3) no . 1_655
F3 C18W 3.586(19) no . 2_775
F3 C27 3.48(3) no . .
F4 F7 3.14(2) no . 2_866
F4 F8 3.565(19) no . 2_866
F4 N22I 3.32(2) no . 2_766
F4 C8L 3.23(3) no . 2_666
F4 C16U 3.44(3) no . 2_666
F4 C17V 3.55(3) no . 2_666
F4 C19X 3.320(19) no . 2_766
F4 C25T 3.50(2) no . 2_766
F5 F1A 2.94(2) no . 1_754
F5 F10C 3.54(3) no . 1_754
F5 C10 3.50(3) no . 1_655
F5 C10 3.23(2) no . 2_775
F5 C11O 3.15(3) no . 1_754
F5 C17V 3.44(3) no . 1_754
F5 C18W 3.39(3) no . 1_655
F5 C20Y 3.49(3) no . 1_655
F6 F2B 3.207(16) no . 2_476
F6 N22I 3.03(2) no . 1_455
F6 N23D 3.28(3) no . 2_576
F6 C12P 3.18(3) no . 2_576
F6 C19X 3.40(3) no . 1_455
F6 C19X 3.60(2) no . 2_576
F6 C20Y 3.35(3) no . 1_455
F6 C25T 3.32(2) no . 1_455
F7 F2B 3.30(3) no . 2_666
F7 F4 3.14(2) no . 2_866
F7 F7 3.277(18) no . 2_866
F7 N23D 3.060(19) no . 2_766
F7 C2E 3.10(3) no . 2_866
F7 C7K 3.19(3) no . 2_866
F7 C19X 3.24(2) no . 2_766
F7 C24H 3.08(2) no . 2_766
F8 F4 3.565(19) no . 2_866
F8 F9 2.778(17) no . 2_766
F8 N22I 3.57(3) no . 1_655
F8 C12 3.39(4) no . 1_645
F9 F8 2.778(17) no . 2_766
F9 C21Z 3.53(5) no . 2_676
F10C F1A 3.187(19) no . 2_467
F10C F3 3.26(2) no . 1_356
F10C F5 3.54(3) no . 1_356
F10C F10C 3.549(17) no . 2_467
F10C C2E 3.44(3) no . 2_666
F10C C7K 3.33(3) no . 2_666
F10C C10N 3.55(3) no . 2_666
F10C C12 3.52(3) no . 2_576
F10C C15S 3.43(3) no . 2_666
O26F C13Q 3.50(3) no . 1_655
O26F C18W 3.22(3) no . 2_775
N22I F4 3.32(2) no . 2_766
N22I F6 3.03(2) no . 1_655
N22I F8 3.57(3) no . 1_455
N23D F6 3.28(3) no . 2_576
N23D F7 3.060(19) no . 2_766
N23D C4G 3.51(4) no . 1_455
N23D C6J 3.55(3) no . 1_455
C2E F7 3.10(3) no . 2_866
C2E F10C 3.44(3) no . 2_666
C2E C8L 3.44(4) no . 2_666
C2E C17V 3.28(4) no . 2_666
C4G N23D 3.51(4) no . 1_655
C4G C11O 3.47(4) no . 2_666
C4G C17V 3.46(4) no . 2_666
C4G C24H 3.38(4) no . 1_655
C6J N23D 3.55(3) no . 1_655
C6J C12P 3.48(4) no . 1_655
C7K F2B 3.56(3) no . 2_666
C7K F7 3.19(3) no . 2_866
C7K F10C 3.33(3) no . 2_666
C7K C17V 3.59(4) no . 2_666
C8L F4 3.23(3) no . 2_666
C8L C2E 3.44(4) no . 2_666
C8L C10 3.45(4) no . 2_576
C8L C13Q 3.47(4) no . 2_576
C10N F1A 3.32(2) no . 1_754
C10N F10C 3.55(3) no . 2_666
C10N C12P 3.54(3) no . 1_655
C10N C19X 3.49(4) no . 1_655
C10 F3 3.37(2) no . 2_775
C10 F5 3.50(3) no . 1_455
C10 F5 3.23(2) no . 2_775
C10 C8L 3.45(4) no . 2_576
C10 C10 3.40(4) no . 2_675
C11O F5 3.15(3) no . 1_356
C11O C4G 3.47(4) no . 2_666
C11 F2B 3.37(3) no . 2_576
C12P F6 3.18(3) no . 2_576
C12P C6J 3.48(4) no . 1_455
C12P C10N 3.54(3) no . 1_455
C12P C16U 3.43(3) no . 2_576
C12 F1A 3.52(3) no . 1_664
C12 F8 3.39(4) no . 1_465
C12 F10C 3.52(3) no . 2_576
C13Q F3 3.52(3) no . 1_455
C13Q O26F 3.50(3) no . 1_455
C13Q C8L 3.47(4) no . 2_576
C13Q C16U 3.31(3) no . 2_576
C15S F10C 3.43(3) no . 2_666
C15S C19X 3.56(3) no . 1_655
C16U F4 3.44(3) no . 2_666
C16U C12P 3.43(3) no . 2_576
C16U C13Q 3.31(3) no . 2_576
C17V F4 3.55(3) no . 2_666
C17V F5 3.44(3) no . 1_356
C17V C2E 3.28(4) no . 2_666
C17V C4G 3.46(4) no . 2_666
C17V C7K 3.59(4) no . 2_666
C18W F2B 3.52(3) no . 2_576
C18W F3 3.586(19) no . 2_775
C18W F5 3.39(3) no . 1_455
C18W O26F 3.22(3) no . 2_775
C19X F2B 3.46(2) no . 1_655
C19X F4 3.320(19) no . 2_766
C19X F6 3.40(3) no . 1_655
C19X F6 3.60(2) no . 2_576
C19X F7 3.24(2) no . 2_766
C19X C10N 3.49(4) no . 1_455
C19X C15S 3.56(3) no . 1_455
C20Y F5 3.49(3) no . 1_455
C20Y F6 3.35(3) no . 1_655
C21Z F9 3.53(5) no . 2_676
C24H Au1 3.49(3) no . 1_455
C24H F7 3.08(2) no . 2_766
C24H C4G 3.38(4) no . 1_455
C25T F4 3.50(2) no . 2_766
C25T F6 3.32(2) no . 1_655
C27 F3 3.48(3) no . .
O26F H11A 2.8155 no . .
O26F H11B 3.0603 no . .
O26F H12A 2.9916 no . .
O26F H12B 2.8432 no . .
N22I H18 2.5725 no . .
N22I H19 2.5915 no . .
N23D H13 2.6616 no . .
N23D H19 2.6214 no . .
C11 H21A 2.8917 no . .
C11 H21B 3.0446 no . .
C12P H10 3.1942 no . .
C12 H27A 2.9990 no . .
C12 H27B 2.7249 no . .
C13Q H18 3.2501 no . .
C13Q H19 3.3193 no . .
C18W H13 3.2611 no . .
C18W H19 3.2749 no . .
C19X H13 3.3153 no . .
C19X H18 3.2736 no . .
C20Y H10 3.1978 no . .
C21Z H11A 2.9437 no . .
C21Z H11B 3.0048 no . .
C21Z H27A 2.9831 no . .
C21Z H27B 2.6231 no . .
C24H H13 3.4104 no . .
C24H H19 3.4466 no . .
C25T H18 3.3407 no . .
C25T H19 3.5305 no . .
C27 H12A 2.8464 no . .
C27 H12B 2.9096 no . .
C27 H21A 2.6625 no . .
C27 H21B 2.9680 no . .
H10 H13 2.2902 no . .
H10 H18 2.3176 no . .
H11A H12A 2.6983 no . .
H11A H12B 2.1395 no . .
H11A H21B 3.4733 no . .
H11A H27A 2.1142 no . .
H11A H27B 2.7186 no . .
H11B H12A 2.1380 no . .
H11B H12B 2.6528 no . .
H11B H21A 3.3523 no . .
H11B H27A 2.5200 no . .
H11B H27B 2.1040 no . .
H12A H21A 2.1175 no . .
H12A H21B 2.5886 no . .
H12A H27B 3.0858 no . .
H12B H21A 2.7054 no . .
H12B H21B 2.1175 no . .
H12B H27A 3.5259 no . .
H12B H27B 3.5919 no . .
H21A H27A 3.5797 no . .
H21A H27B 2.7797 no . .
H21B H27B 3.5481 no . .
Au1 H21A 3.4313 no . 2_775
Au1 H27A 3.0470 no . .
Au2 H11A 3.3005 no . 2_676
Au2 H12B 3.3305 no . 2_676
F1A H12A 2.8371 no . 1_446
F1A H21A 3.1084 no . 1_446
F2B H11A 3.3640 no . 2_576
F2B H11B 2.7307 no . 2_576
F2B H12A 3.3983 no . 2_576
F2B H19 2.8535 no . 1_455
F3 H10 2.6118 no . 2_775
F3 H12A 3.4606 no . 2_775
F3 H13 3.4084 no . 1_655
F3 H18 3.0959 no . 2_775
F3 H27A 2.8772 no . .
F3 H27B 3.4779 no . .
F4 H19 2.5008 no . 2_766
F5 H10 2.3602 no . 2_775
F5 H13 3.3996 no . 2_775
F5 H21B 3.4219 no . 2_875
F6 H11A 3.4496 no . 1_455
F6 H11B 3.5901 no . 1_455
F6 H19 3.2035 no . 1_455
F7 H12B 3.3311 no . 1_645
F7 H19 2.4670 no . 2_766
F8 H12A 3.3749 no . 1_645
F8 H12B 2.6006 no . 1_645
F9 H12B 2.9106 no . 2_676
F9 H21A 3.4860 no . 1_446
F9 H21B 2.7040 no . 2_676
F10C H12A 2.6155 no . 2_576
O26F H13 2.5923 no . 1_655
O26F H18 2.4635 no . 2_775
O26F H27B 3.1635 no . 2_775
N22I H11B 3.2809 no . .
N22I H21A 3.3734 no . 2_775
N23D H11A 3.5666 no . 2_676
N23D H27A 3.4036 no . 1_455
C2E H19 3.3632 no . 2_766
C6J H10 3.3845 no . 2_775
C7K H19 3.2851 no . 2_766
C8L H19 3.3412 no . 1_455
C9M H13 3.3743 no . 2_576
C10N H10 3.2392 no . 2_775
C10 H10 2.9732 no . 2_675
C11 H18 3.4056 no . .
C13Q H10 3.2688 no . 2_675
C14R H21B 3.3007 no . 2_676
C15S H12B 3.2964 no . 1_645
C15S H19 3.5367 no . 1_655
C16U H13 3.3755 no . 2_576
C16U H19 3.5508 no . 1_455
C17V H10 3.4326 no . 2_576
C18W H11B 2.9566 no . .
C20Y H11B 3.3259 no . .
C21Z H13 3.5496 no . 1_655
C21Z H18 3.3398 no . 2_775
C21Z H27B 3.5909 no . 2_775
C24H H11A 3.1876 no . 2_676
C24H H27A 3.2103 no . 1_455
C25T H11B 3.5832 no . .
C25T H21A 3.1269 no . 2_775
C25T H27A 3.3854 no . .
C25T H27B 3.5825 no . .
C27 H13 3.2823 no . 1_655
C27 H18 3.5899 no . .
C27 H18 3.2530 no . 2_775
C27 H27B 2.8717 no . 2_775
H10 F3 2.6118 no . 2_775
H10 F5 2.3602 no . 2_775
H10 C6J 3.3845 no . 2_775
H10 C10N 3.2392 no . 2_775
H10 C10 2.9732 no . 2_675
H10 C13Q 3.2688 no . 2_675
H10 C17V 3.4326 no . 2_576
H10 H10 2.8136 no . 2_675
H10 H13 3.3092 no . 2_675
H11A Au2 3.3005 no . 2_676
H11A F2B 3.3640 no . 2_576
H11A F6 3.4496 no . 1_655
H11A N23D 3.5666 no . 2_676
H11A C24H 3.1876 no . 2_676
H11B F2B 2.7307 no . 2_576
H11B F6 3.5901 no . 1_655
H11B N22I 3.2809 no . .
H11B C18W 2.9566 no . .
H11B C20Y 3.3259 no . .
H11B C25T 3.5832 no . .
H11B H18 2.5517 no . .
H12A F1A 2.8371 no . 1_664
H12A F2B 3.3983 no . 2_576
H12A F3 3.4606 no . 2_775
H12A F8 3.3749 no . 1_465
H12A F10C 2.6155 no . 2_576
H12B Au2 3.3305 no . 2_676
H12B F7 3.3311 no . 1_465
H12B F8 2.6006 no . 1_465
H12B F9 2.9106 no . 2_676
H12B C15S 3.2964 no . 1_465
H13 F3 3.4084 no . 1_455
H13 F5 3.3996 no . 2_775
H13 O26F 2.5923 no . 1_455
H13 C9M 3.3743 no . 2_576
H13 C16U 3.3755 no . 2_576
H13 C21Z 3.5496 no . 1_455
H13 C27 3.2823 no . 1_455
H13 H10 3.3092 no . 2_675
H13 H18 3.5495 no . 2_675
H13 H21B 3.4330 no . 1_455
H13 H27A 2.9547 no . 1_455
H18 F3 3.0959 no . 2_775
H18 O26F 2.4635 no . 2_775
H18 C11 3.4056 no . .
H18 C21Z 3.3398 no . 2_775
H18 C27 3.5899 no . .
H18 C27 3.2530 no . 2_775
H18 H11B 2.5517 no . .
H18 H13 3.5495 no . 2_675
H18 H21A 3.2210 no . 2_775
H18 H27A 3.5265 no . 2_775
H18 H27B 2.9050 no . .
H18 H27B 3.1142 no . 2_775
H19 F2B 2.8535 no . 1_655
H19 F4 2.5008 no . 2_766
H19 F6 3.2035 no . 1_655
H19 F7 2.4670 no . 2_766
H19 C2E 3.3632 no . 2_766
H19 C7K 3.2851 no . 2_766
H19 C8L 3.3412 no . 1_655
H19 C15S 3.5367 no . 1_455
H19 C16U 3.5508 no . 1_655
H21A Au1 3.4313 no . 2_775
H21A F1A 3.1084 no . 1_664
H21A F9 3.4860 no . 1_664
H21A N22I 3.3734 no . 2_775
H21A C25T 3.1269 no . 2_775
H21A H18 3.2210 no . 2_775
H21A H27B 3.1668 no . 2_775
H21B F5 3.4219 no . 2_875
H21B F9 2.7040 no . 2_676
H21B C14R 3.3007 no . 2_676
H21B H13 3.4330 no . 1_655
H27A Au1 3.0470 no . .
H27A F3 2.8772 no . .
H27A N23D 3.4036 no . 1_655
H27A C24H 3.2103 no . 1_655
H27A C25T 3.3854 no . .
H27A H13 2.9547 no . 1_655
H27A H18 3.5265 no . 2_775
H27A H27B 3.4520 no . 2_775
H27B F3 3.4779 no . .
H27B O26F 3.1635 no . 2_775
H27B C21Z 3.5909 no . 2_775
H27B C25T 3.5825 no . .
H27B C27 2.8717 no . 2_775
H27B H18 2.9050 no . .
H27B H18 3.1142 no . 2_775
H27B H21A 3.1668 no . 2_775
H27B H27A 3.4520 no . 2_775
H27B H27B 1.9732 no . 2_775

#==============================================================================

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



#==============================================================================
#     End of CIF
#==============================================================================
_chemical_name_systematic        1c
_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_IDA-130-8
_database_code_depnum_ccdc_archive 'CCDC 1820947'
_audit_update_record             
;
2018-01-31 deposited with the CCDC.
2018-04-24 downloaded from the CCDC.
;

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

_chemical_formula_sum            'C28 H20 Au2 F10 N2 O2'
_chemical_formula_moiety         'C28 H20 Au2 F10 N2 O2'
_chemical_formula_weight         1000.40
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 -1/2+X,-1/2-Y,-1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   8.4401(7)
_cell_length_b                   17.3470(13)
_cell_length_c                   19.5954(15)
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.181(2)
_cell_angle_gamma                90.0000
_cell_volume                     2839.8(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17127
_cell_measurement_theta_min      2.98
_cell_measurement_theta_max      27.39
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.379
_exptl_crystal_size_mid          0.266
_exptl_crystal_size_min          0.142
_exptl_crystal_density_diffrn    2.340
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1864.00
_exptl_absorpt_coefficient_mu    10.453
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.032
_exptl_absorpt_correction_T_max  0.227

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

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            23997
_diffrn_reflns_av_R_equivalents  0.1579
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         3.026
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             5575
_reflns_number_gt                4119
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0623
_refine_ls_wR_factor_ref         0.1544
_refine_ls_wR_factor_gt          0.1420
_refine_ls_number_restraints     163
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5575
_refine_ls_number_parameters     425
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0556P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         2.30
_refine_diff_density_min         -3.26
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Au Au -2.0133 8.8022
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.17257(5) 0.68807(2) 0.08737(2) 0.04043(17) Uani 1 1 d . . . . .
Au2 Au 1.04848(5) 0.79244(3) 0.50326(2) 0.04586(18) Uani 1 1 d . . . . .
F9 F 1.1528(7) 0.8738(4) 0.6478(4) 0.0607(18) Uani 1 1 d . . . . .
F12 F 0.0266(8) 0.7032(3) -0.0716(3) 0.0503(16) Uani 1 1 d . . . . .
F13 F -0.2093(8) 0.6279(4) -0.1492(3) 0.0572(17) Uani 1 1 d . . . . .
F14 F -0.0474(7) 0.5460(3) 0.1182(3) 0.0515(16) Uani 1 1 d . . . . .
F21 F -0.3705(7) 0.5141(4) -0.0949(4) 0.0600(18) Uani 1 1 d . . . . .
F22 F -0.2905(7) 0.4753(4) 0.0403(3) 0.0560(17) Uani 1 1 d . . . . .
F32 F 1.3639(10) 0.8335(5) 0.7571(4) 0.084(2) Uani 1 1 d . . . . .
F33 F 1.5403(10) 0.7026(5) 0.7546(4) 0.090(3) Uani 1 1 d . . . . .
F34 F 1.2842(10) 0.6494(5) 0.5320(4) 0.089(3) Uani 1 1 d . . . . .
O39 O 0.4375(11) 0.6512(5) 0.2973(6) 0.078(3) Uani 1 1 d . U . . .
N15 N 0.4116(10) 0.7921(5) 0.1807(5) 0.041(2) Uani 1 1 d . . . . .
N23 N 0.8179(10) 0.8386(5) 0.3728(5) 0.041(2) Uani 1 1 d . . . . .
C3 C 0.0034(11) 0.6272(5) 0.0278(5) 0.037(2) Uani 1 1 d . . . . .
C4 C -0.0473(11) 0.6459(6) -0.0401(5) 0.037(2) Uani 1 1 d . . . . .
C5 C -0.1698(11) 0.6067(6) -0.0822(5) 0.039(2) Uani 1 1 d . . . . .
C6 C -0.2479(12) 0.5508(6) -0.0558(6) 0.047(3) Uani 1 1 d . . . . .
C7 C 0.3265(12) 0.7513(7) 0.1468(6) 0.045(3) Uani 1 1 d . . . . .
C8 C -0.0817(12) 0.5695(6) 0.0522(6) 0.043(3) Uani 1 1 d . . . . .
C10 C 0.5240(12) 0.8423(6) 0.2186(5) 0.041(2) Uani 1 1 d . . . . .
C11 C 0.6133(11) 0.8149(6) 0.2795(5) 0.034(2) Uani 1 1 d . . . . .
H11 H 0.5989 0.7642 0.2961 0.041 Uiso 1 1 calc R U . . .
C16 C 0.7220(11) 0.8646(5) 0.3138(5) 0.036(2) Uani 1 1 d . . . . .
C17 C 0.7462(13) 0.9386(6) 0.2900(6) 0.048(3) Uani 1 1 d . . . . .
H17 H 0.8234 0.9716 0.3151 0.057 Uiso 1 1 calc R U . . .
C18 C 0.6566(15) 0.9635(7) 0.2296(6) 0.056(3) Uani 1 1 d . . . . .
H18 H 0.6712 1.0142 0.2132 0.067 Uiso 1 1 calc R U . . .
C19 C 0.5468(13) 0.9154(6) 0.1932(6) 0.049(3) Uani 1 1 d . . . . .
H19 H 0.4870 0.9320 0.1510 0.059 Uiso 1 1 calc R U . . .
C20 C -0.2109(12) 0.5306(6) 0.0122(6) 0.041(2) Uani 1 1 d . . . . .
C24 C 0.9001(14) 0.8208(6) 0.4222(6) 0.047(3) Uani 1 1 d . . . . .
C25 C 1.2097(12) 0.7615(7) 0.5865(6) 0.045(3) Uani 1 1 d . . . . .
C26 C 1.3011(15) 0.6973(7) 0.5874(7) 0.055(3) Uani 1 1 d . . . . .
F49 F 1.4977(10) 0.6120(5) 0.6437(5) 0.100(3) Uani 1 1 d . . . . .
C28 C 1.4321(15) 0.7229(8) 0.6988(7) 0.060(3) Uani 1 1 d . . . . .
C29 C 1.3418(15) 0.7897(8) 0.6999(7) 0.056(3) Uani 1 1 d . . . . .
C30 C 1.2395(15) 0.8061(7) 0.6449(7) 0.053(3) Uani 1 1 d . . . . .
C31 C 1.4089(15) 0.6772(7) 0.6443(8) 0.061(3) Uani 1 1 d . . . . .
C35 C 0.3085(16) 0.6583(8) 0.3333(9) 0.077(4) Uani 1 1 d . U . . .
H35A H 0.2381 0.7010 0.3141 0.092 Uiso 1 1 calc R U . . .
H35B H 0.3463 0.6694 0.3825 0.092 Uiso 1 1 calc R U . . .
C36 C 0.221(2) 0.5853(10) 0.3266(10) 0.107(5) Uani 1 1 d . U . . .
H36A H 0.2505 0.5529 0.3680 0.128 Uiso 1 1 calc R U . . .
H36B H 0.1040 0.5946 0.3206 0.128 Uiso 1 1 calc R U . . .
C37 C 0.2649(18) 0.5494(10) 0.2683(9) 0.095(5) Uani 1 1 d . U . . .
H37A H 0.1856 0.5604 0.2272 0.114 Uiso 1 1 calc R U . . .
H37B H 0.2721 0.4929 0.2750 0.114 Uiso 1 1 calc R U . . .
C38 C 0.4184(17) 0.5808(8) 0.2601(9) 0.086(4) Uani 1 1 d . U . . .
H38A H 0.5043 0.5443 0.2781 0.103 Uiso 1 1 calc R U . . .
H38B H 0.4244 0.5902 0.2107 0.103 Uiso 1 1 calc R U . . .
O41 O 0.250(4) 0.8989(16) -0.0786(11) 0.143(6) Uani 0.5 1 d G U P A 1
C40 C 0.128(2) 0.9147(19) -0.0372(17) 0.135(7) Uani 0.5 1 d G U P A 1
H40A H 0.0608 0.9581 -0.0571 0.162 Uiso 0.5 1 calc R U P A 1
H40B H 0.0592 0.8688 -0.0353 0.162 Uiso 0.5 1 calc R U P A 1
C42 C 0.204(4) 0.934(2) 0.0300(14) 0.151(11) Uani 0.5 1 d G U P A 1
H42A H 0.1711 0.8973 0.0642 0.181 Uiso 0.5 1 calc R U P A 1
H42B H 0.1727 0.9866 0.0424 0.181 Uiso 0.5 1 calc R U P A 1
C43 C 0.372(3) 0.930(2) 0.0302(13) 0.119(7) Uani 0.5 1 d G U P A 1
H43A H 0.4214 0.9809 0.0427 0.143 Uiso 0.5 1 calc R U P A 1
H43B H 0.4199 0.8916 0.0645 0.143 Uiso 0.5 1 calc R U P A 1
C44 C 0.400(3) 0.9084(17) -0.0369(15) 0.132(6) Uani 0.5 1 d G U P A 1
H44A H 0.4616 0.8596 -0.0348 0.158 Uiso 0.5 1 calc R U P A 1
H44B H 0.4632 0.9489 -0.0566 0.158 Uiso 0.5 1 calc R U P A 1
O41B O 0.357(3) 0.9460(16) -0.0933(12) 0.137(6) Uani 0.5 1 d G U P B 2
C45 C 0.280(4) 0.9896(13) -0.0462(17) 0.145(7) Uani 0.5 1 d G U P B 2
H45A H 0.1853 1.0164 -0.0710 0.174 Uiso 0.5 1 calc R U P B 2
H45B H 0.3542 1.0288 -0.0231 0.174 Uiso 0.5 1 calc R U P B 2
C46 C 0.232(4) 0.938(2) 0.0032(14) 0.148(7) Uani 0.5 1 d G U P B 2
H46A H 0.1146 0.9399 0.0021 0.177 Uiso 0.5 1 calc R U P B 2
H46B H 0.2835 0.9524 0.0501 0.177 Uiso 0.5 1 calc R U P B 2
C47 C 0.280(4) 0.8625(16) -0.0133(16) 0.133(6) Uani 0.5 1 d G U P B 2
H47A H 0.1851 0.8283 -0.0223 0.160 Uiso 0.5 1 calc R U P B 2
H47B H 0.3540 0.8407 0.0256 0.160 Uiso 0.5 1 calc R U P B 2
C48 C 0.357(4) 0.8675(14) -0.0730(16) 0.144(7) Uani 0.5 1 d G U P B 2
H48A H 0.4683 0.8482 -0.0626 0.173 Uiso 0.5 1 calc R U P B 2
H48B H 0.2994 0.8358 -0.1105 0.173 Uiso 0.5 1 calc R U P B 2


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_molecular_graphics    'CrystalStructure 4.2.2'

#==============================================================================
# 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 C7 1.954(12) . ?
Au1 C3 2.010(10) . ?
Au2 C24 1.942(12) . ?
Au2 C25 2.041(11) . ?
F9 C30 1.389(14) . ?
F12 C4 1.367(11) . ?
F13 C5 1.358(11) . ?
F14 C8 1.347(12) . ?
F21 C6 1.355(12) . ?
F22 C20 1.335(11) . ?
F32 C29 1.345(14) . ?
F33 C28 1.367(14) . ?
F34 C26 1.359(14) . ?
O39 C35 1.385(15) . ?
O39 C38 1.419(16) . ?
N15 C7 1.150(13) . ?
N15 C10 1.417(13) . ?
N23 C24 1.150(14) . ?
N23 C16 1.389(13) . ?
C3 C8 1.358(14) . ?
C3 C4 1.377(14) . ?
C4 C5 1.403(13) . ?
C5 C6 1.319(15) . ?
C6 C20 1.369(16) . ?
C8 C20 1.420(15) . ?
C10 C19 1.385(15) . ?
C10 C11 1.401(15) . ?
C11 C16 1.365(13) . ?
C11 H11 0.9500 . ?
C16 C17 1.390(14) . ?
C17 C18 1.381(16) . ?
C17 H17 0.9500 . ?
C18 C19 1.370(15) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C25 C26 1.353(16) . ?
C25 C30 1.377(17) . ?
C26 C31 1.379(18) . ?
F49 C31 1.358(14) . ?
C28 C31 1.321(19) . ?
C28 C29 1.39(2) . ?
C29 C30 1.313(18) . ?
C35 C36 1.463(19) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.398(19) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.436(16) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
O41 C40 1.4200 . ?
O41 C44 1.4200 . ?
C40 C42 1.4200 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C42 C43 1.4200 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.4200 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
O41B C45 1.4200 . ?
O41B C48 1.4200 . ?
C45 C46 1.4200 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.4200 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.4200 . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?

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
C7 Au1 C3 176.4(4) . . ?
C24 Au2 C25 178.1(5) . . ?
C35 O39 C38 107.3(10) . . ?
C7 N15 C10 175.7(10) . . ?
C24 N23 C16 176.6(10) . . ?
C8 C3 C4 114.0(10) . . ?
C8 C3 Au1 123.4(8) . . ?
C4 C3 Au1 122.3(7) . . ?
F12 C4 C3 120.6(9) . . ?
F12 C4 C5 115.6(9) . . ?
C3 C4 C5 123.7(9) . . ?
C6 C5 F13 120.7(9) . . ?
C6 C5 C4 119.6(10) . . ?
F13 C5 C4 119.7(9) . . ?
C5 C6 F21 120.5(11) . . ?
C5 C6 C20 120.7(10) . . ?
F21 C6 C20 118.7(10) . . ?
N15 C7 Au1 176.1(9) . . ?
F14 C8 C3 120.6(10) . . ?
F14 C8 C20 115.4(9) . . ?
C3 C8 C20 124.0(10) . . ?
C19 C10 C11 122.1(10) . . ?
C19 C10 N15 119.4(10) . . ?
C11 C10 N15 118.5(9) . . ?
C16 C11 C10 116.6(9) . . ?
C16 C11 H11 121.7 . . ?
C10 C11 H11 121.7 . . ?
C11 C16 C17 122.7(10) . . ?
C11 C16 N23 118.4(9) . . ?
C17 C16 N23 118.8(9) . . ?
C16 C17 C18 119.2(10) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
C19 C18 C17 120.2(10) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C10 119.3(10) . . ?
C18 C19 H19 120.4 . . ?
C10 C19 H19 120.4 . . ?
F22 C20 C6 121.8(10) . . ?
F22 C20 C8 120.4(10) . . ?
C6 C20 C8 117.8(9) . . ?
N23 C24 Au2 177.0(10) . . ?
C26 C25 C30 114.5(11) . . ?
C26 C25 Au2 122.8(9) . . ?
C30 C25 Au2 122.6(9) . . ?
C25 C26 F34 119.8(11) . . ?
C25 C26 C31 121.9(13) . . ?
F34 C26 C31 118.3(12) . . ?
C31 C28 F33 119.9(14) . . ?
C31 C28 C29 119.6(13) . . ?
F33 C28 C29 120.5(13) . . ?
C30 C29 F32 123.9(14) . . ?
C30 C29 C28 117.8(13) . . ?
F32 C29 C28 118.3(13) . . ?
C29 C30 C25 125.6(13) . . ?
C29 C30 F9 116.0(12) . . ?
C25 C30 F9 118.4(11) . . ?
C28 C31 F49 119.1(13) . . ?
C28 C31 C26 120.5(13) . . ?
F49 C31 C26 120.4(13) . . ?
O39 C35 C36 107.5(12) . . ?
O39 C35 H35A 110.2 . . ?
C36 C35 H35A 110.2 . . ?
O39 C35 H35B 110.2 . . ?
C36 C35 H35B 110.2 . . ?
H35A C35 H35B 108.5 . . ?
C37 C36 C35 105.6(13) . . ?
C37 C36 H36A 110.6 . . ?
C35 C36 H36A 110.6 . . ?
C37 C36 H36B 110.6 . . ?
C35 C36 H36B 110.6 . . ?
H36A C36 H36B 108.7 . . ?
C36 C37 C38 105.7(13) . . ?
C36 C37 H37A 110.6 . . ?
C38 C37 H37A 110.6 . . ?
C36 C37 H37B 110.6 . . ?
C38 C37 H37B 110.6 . . ?
H37A C37 H37B 108.7 . . ?
O39 C38 C37 107.9(12) . . ?
O39 C38 H38A 110.1 . . ?
C37 C38 H38A 110.1 . . ?
O39 C38 H38B 110.1 . . ?
C37 C38 H38B 110.1 . . ?
H38A C38 H38B 108.4 . . ?
C40 O41 C44 108.0 . . ?
C42 C40 O41 108.0 . . ?
C42 C40 H40A 110.1 . . ?
O41 C40 H40A 110.1 . . ?
C42 C40 H40B 110.1 . . ?
O41 C40 H40B 110.1 . . ?
H40A C40 H40B 108.4 . . ?
C40 C42 C43 108.0 . . ?
C40 C42 H42A 110.1 . . ?
C43 C42 H42A 110.1 . . ?
C40 C42 H42B 110.1 . . ?
C43 C42 H42B 110.1 . . ?
H42A C42 H42B 108.4 . . ?
C44 C43 C42 108.0 . . ?
C44 C43 H43A 110.1 . . ?
C42 C43 H43A 110.1 . . ?
C44 C43 H43B 110.1 . . ?
C42 C43 H43B 110.1 . . ?
H43A C43 H43B 108.4 . . ?
C43 C44 O41 108.0 . . ?
C43 C44 H44A 110.1 . . ?
O41 C44 H44A 110.1 . . ?
C43 C44 H44B 110.1 . . ?
O41 C44 H44B 110.1 . . ?
H44A C44 H44B 108.4 . . ?
C45 O41B C48 108.0 . . ?
O41B C45 C46 108.0 . . ?
O41B C45 H45A 110.1 . . ?
C46 C45 H45A 110.1 . . ?
O41B C45 H45B 110.1 . . ?
C46 C45 H45B 110.1 . . ?
H45A C45 H45B 108.4 . . ?
C45 C46 C47 108.0 . . ?
C45 C46 H46A 110.1 . . ?
C47 C46 H46A 110.1 . . ?
C45 C46 H46B 110.1 . . ?
C47 C46 H46B 110.1 . . ?
H46A C46 H46B 108.4 . . ?
C46 C47 C48 108.0 . . ?
C46 C47 H47A 110.1 . . ?
C48 C47 H47A 110.1 . . ?
C46 C47 H47B 110.1 . . ?
C48 C47 H47B 110.1 . . ?
H47A C47 H47B 108.4 . . ?
O41B C48 C47 108.0 . . ?
O41B C48 H48A 110.1 . . ?
C47 C48 H48A 110.1 . . ?
O41B C48 H48B 110.1 . . ?
C47 C48 H48B 110.1 . . ?
H48A C48 H48B 108.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 C3 C4 F12 179.7(8) . . . . ?
Au1 C3 C4 F12 5.9(13) . . . . ?
C8 C3 C4 C5 -3.3(14) . . . . ?
Au1 C3 C4 C5 -177.2(7) . . . . ?
F12 C4 C5 C6 -179.7(9) . . . . ?
C3 C4 C5 C6 3.2(16) . . . . ?
F12 C4 C5 F13 -1.3(13) . . . . ?
C3 C4 C5 F13 -178.4(9) . . . . ?
F13 C5 C6 F21 -0.8(15) . . . . ?
C4 C5 C6 F21 177.6(8) . . . . ?
F13 C5 C6 C20 -178.3(9) . . . . ?
C4 C5 C6 C20 0.1(16) . . . . ?
C4 C3 C8 F14 -178.8(9) . . . . ?
Au1 C3 C8 F14 -5.0(13) . . . . ?
C4 C3 C8 C20 0.5(14) . . . . ?
Au1 C3 C8 C20 174.2(7) . . . . ?
C19 C10 C11 C16 1.6(14) . . . . ?
N15 C10 C11 C16 179.0(8) . . . . ?
C10 C11 C16 C17 -0.7(14) . . . . ?
C10 C11 C16 N23 -177.3(8) . . . . ?
C11 C16 C17 C18 0.4(16) . . . . ?
N23 C16 C17 C18 176.9(10) . . . . ?
C16 C17 C18 C19 -0.8(17) . . . . ?
C17 C18 C19 C10 1.6(17) . . . . ?
C11 C10 C19 C18 -2.0(16) . . . . ?
N15 C10 C19 C18 -179.4(9) . . . . ?
C5 C6 C20 F22 178.6(9) . . . . ?
F21 C6 C20 F22 1.1(15) . . . . ?
C5 C6 C20 C8 -2.7(16) . . . . ?
F21 C6 C20 C8 179.8(8) . . . . ?
F14 C8 C20 F22 0.5(13) . . . . ?
C3 C8 C20 F22 -178.8(9) . . . . ?
F14 C8 C20 C6 -178.2(9) . . . . ?
C3 C8 C20 C6 2.5(15) . . . . ?
C30 C25 C26 F34 -178.9(11) . . . . ?
Au2 C25 C26 F34 -1.8(16) . . . . ?
C30 C25 C26 C31 3.2(17) . . . . ?
Au2 C25 C26 C31 -179.7(9) . . . . ?
C31 C28 C29 C30 -2.2(19) . . . . ?
F33 C28 C29 C30 -179.8(10) . . . . ?
C31 C28 C29 F32 177.6(11) . . . . ?
F33 C28 C29 F32 0.0(18) . . . . ?
F32 C29 C30 C25 -177.7(11) . . . . ?
C28 C29 C30 C25 2(2) . . . . ?
F32 C29 C30 F9 0.9(18) . . . . ?
C28 C29 C30 F9 -179.3(10) . . . . ?
C26 C25 C30 C29 -2.6(18) . . . . ?
Au2 C25 C30 C29 -179.7(10) . . . . ?
C26 C25 C30 F9 178.9(10) . . . . ?
Au2 C25 C30 F9 1.8(14) . . . . ?
F33 C28 C31 F49 -2.3(18) . . . . ?
C29 C28 C31 F49 -179.9(11) . . . . ?
F33 C28 C31 C26 -179.4(11) . . . . ?
C29 C28 C31 C26 3(2) . . . . ?
C25 C26 C31 C28 -4(2) . . . . ?
F34 C26 C31 C28 178.5(12) . . . . ?
C25 C26 C31 F49 179.3(11) . . . . ?
F34 C26 C31 F49 1.4(18) . . . . ?
C38 O39 C35 C36 8.7(18) . . . . ?
O39 C35 C36 C37 -21(2) . . . . ?
C35 C36 C37 C38 24(2) . . . . ?
C35 O39 C38 C37 6.4(18) . . . . ?
C36 C37 C38 O39 -20(2) . . . . ?
C44 O41 C40 C42 0.0 . . . . ?
O41 C40 C42 C43 0.0 . . . . ?
C40 C42 C43 C44 0.0 . . . . ?
C42 C43 C44 O41 0.0 . . . . ?
C40 O41 C44 C43 0.0 . . . . ?
C48 O41B C45 C46 0.0 . . . . ?
O41B C45 C46 C47 0.0 . . . . ?
C45 C46 C47 C48 0.0 . . . . ?
C45 O41B C48 C47 0.0 . . . . ?
C46 C47 C48 O41B 0.0 . . . . ?

#==============================================================================

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





#==============================================================================
#     End of CIF
#==============================================================================
_chemical_name_systematic        Gold-complex
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: THF'
_exptl_crystal_preparation       Luminescent
