# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_C6
_database_code_depnum_ccdc_archive 'CCDC 1939844'
loop_
_audit_author_name
_audit_author_address
'Yu Bao Dong'
;Central China Normal University
China
;
_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2019-11-28 downloaded from the CCDC.
;
_audit_creation_date             2019-05-30
_audit_creation_method           
; 
Olex2 1.2 
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) 
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
'[μ-[1,4-di(isocyano-\kC)-2,5-dihexyloxybenzene]]bis(2,3,4,5,6-pentafluorophenyl)digold(I)'
_chemical_formula_moiety         'C16 H14 Au F5 N O'
_chemical_formula_sum            'C16 H14 Au F5 N O'
_chemical_formula_weight         528.25
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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                   9.759(2)
_cell_length_b                   10.239(2)
_cell_length_c                   10.396(3)
_cell_angle_alpha                64.173(3)
_cell_angle_beta                 66.984(3)
_cell_angle_gamma                64.063(3)
_cell_volume                     814.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4295
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      30.37
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.464
_shelx_estimated_absorpt_T_min   0.409
_exptl_absorpt_coefficient_mu    9.084
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.3012
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.153
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             498
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_unetI/netI     0.0551
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7618
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.000
_diffrn_reflns_theta_min         2.247
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3703
_reflns_number_total             4237
_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.911
_refine_diff_density_min         -2.179
_refine_diff_density_rms         0.244
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         4237
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0384
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0670P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1053
_refine_ls_wR_factor_ref         0.1091
_refine_special_details          ?
_olex2_refinement_description    
; 
1. Fixed Uiso 
 At 1.2 times of: 
  All C(H) groups, All C(H,H) groups 
 At 1.5 times of: 
  All C(H,H,H) groups 
2.a Secondary CH2 refined with riding coordinates: 
 C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B) 
2.b Aromatic/amide H refined with riding coordinates: 
 C3(H3) 
2.c Idealised Me refined as rotating group: 
 C9(H9A,H9B,H9C) 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.93304(3) 0.62762(2) 0.60914(2) 0.03598(10) Uani 1 1 d . . . . .
C1 C 0.9736(7) 0.1498(6) 0.9172(6) 0.0297(10) Uani 1 1 d . . . . .
C2 C 0.8432(7) 0.1014(6) 1.0054(6) 0.0307(11) Uani 1 1 d . . . . .
C3 C 0.8736(7) -0.0547(7) 1.0872(6) 0.0314(11) Uani 1 1 d . . . . .
H3 H 0.7908 -0.0937 1.1441 0.038 Uiso 1 1 calc R . . . .
C4 C 0.5655(8) 0.1599(8) 1.0875(8) 0.0447(14) Uani 1 1 d . . . . .
H4A H 0.5690 0.1080 1.1901 0.054 Uiso 1 1 calc R . . . .
H4B H 0.5609 0.0901 1.0505 0.054 Uiso 1 1 calc R . . . .
C5 C 0.4243(9) 0.3019(9) 1.0730(10) 0.0535(17) Uani 1 1 d . . . . .
H5A H 0.4302 0.3680 1.1137 0.064 Uiso 1 1 calc R . . . .
H5B H 0.3307 0.2728 1.1322 0.064 Uiso 1 1 calc R . . . .
C6 C 0.4062(9) 0.3935(8) 0.9158(10) 0.0539(18) Uani 1 1 d . . . . .
H6A H 0.3167 0.4861 0.9180 0.065 Uiso 1 1 calc R . . . .
H6B H 0.4989 0.4245 0.8575 0.065 Uiso 1 1 calc R . . . .
C7 C 0.3838(9) 0.3113(9) 0.8381(9) 0.0535(17) Uani 1 1 d . . . . .
H7A H 0.4734 0.2191 0.8342 0.064 Uiso 1 1 calc R . . . .
H7B H 0.2908 0.2805 0.8951 0.064 Uiso 1 1 calc R . . . .
C8 C 0.3666(12) 0.4077(10) 0.6853(11) 0.070(2) Uani 1 1 d . . . . .
H8A H 0.2696 0.4929 0.6914 0.084 Uiso 1 1 calc R . . . .
H8B H 0.4524 0.4499 0.6336 0.084 Uiso 1 1 calc R . . . .
C9 C 0.3646(13) 0.3283(13) 0.5954(11) 0.076(3) Uani 1 1 d . . . . .
H9A H 0.4393 0.2268 0.6147 0.114 Uiso 1 1 calc GR . . . .
H9B H 0.3920 0.3848 0.4926 0.114 Uiso 1 1 calc GR . . . .
H9C H 0.2614 0.3222 0.6210 0.114 Uiso 1 1 calc GR . . . .
C10 C 0.9353(8) 0.4226(7) 0.7520(7) 0.0373(12) Uani 1 1 d . . . . .
C11 C 0.9395(7) 0.8363(6) 0.4641(6) 0.0327(11) Uani 1 1 d . . . . .
C12 C 1.0831(8) 0.8632(7) 0.3811(6) 0.0399(14) Uani 1 1 d . . . . .
C13 C 1.0912(9) 1.0024(8) 0.2859(7) 0.0437(15) Uani 1 1 d . . . . .
C14 C 0.9565(10) 1.1253(8) 0.2647(7) 0.0463(16) Uani 1 1 d . . . . .
C15 C 0.8128(9) 1.1045(7) 0.3446(8) 0.0446(15) Uani 1 1 d . . . . .
C16 C 0.8083(8) 0.9620(7) 0.4422(7) 0.0386(12) Uani 1 1 d . . . . .
F1 F 1.2169(5) 0.7516(6) 0.3943(6) 0.0660(12) Uani 1 1 d . . . . .
F2 F 1.2304(7) 1.0258(7) 0.2070(6) 0.0723(15) Uani 1 1 d . . . . .
F3 F 0.9636(8) 1.2616(5) 0.1694(5) 0.0725(15) Uani 1 1 d . . . . .
F4 F 0.6800(7) 1.2214(5) 0.3242(6) 0.0736(15) Uani 1 1 d . . . . .
F5 F 0.6647(5) 0.9472(5) 0.5164(6) 0.0626(12) Uani 1 1 d . . . . .
N1 N 0.9478(6) 0.3026(6) 0.8309(5) 0.0345(10) Uani 1 1 d . . . . .
O2 O 0.7032(5) 0.2073(5) 1.0019(6) 0.0437(10) Uani 1 1 d . . . . .


_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 C10 1.970(6) . ?
Au1 C11 2.020(6) . ?
C1 C2 1.396(8) . ?
C1 C3 1.375(9) 2_757 ?
C1 N1 1.387(7) . ?
C2 C3 1.401(8) . ?
C2 O2 1.324(8) . ?
C3 C1 1.375(9) 2_757 ?
C3 H3 0.9300 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.502(10) . ?
C4 O2 1.447(8) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.526(12) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.517(11) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.491(11) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.491(14) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 N1 1.125(7) . ?
C11 C12 1.403(8) . ?
C11 C16 1.371(9) . ?
C12 C13 1.351(8) . ?
C12 F1 1.315(8) . ?
C13 C14 1.378(11) . ?
C13 F2 1.348(8) . ?
C14 C15 1.378(11) . ?
C14 F3 1.327(7) . ?
C15 C16 1.375(9) . ?
C15 F4 1.340(8) . ?
C16 F5 1.349(8) . ?

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
C10 Au1 C11 177.6(2) . . ?
C3 C1 C2 123.5(5) 2_757 . ?
C3 C1 N1 118.2(5) 2_757 . ?
N1 C1 C2 118.3(5) . . ?
C1 C2 C3 116.8(5) . . ?
O2 C2 C1 116.7(5) . . ?
O2 C2 C3 126.6(5) . . ?
C1 C3 C2 119.7(5) 2_757 . ?
C1 C3 H3 120.2 2_757 . ?
C2 C3 H3 120.2 . . ?
H4A C4 H4B 108.5 . . ?
C5 C4 H4A 110.3 . . ?
C5 C4 H4B 110.3 . . ?
O2 C4 H4A 110.3 . . ?
O2 C4 H4B 110.3 . . ?
O2 C4 C5 107.3(6) . . ?
C4 C5 H5A 108.5 . . ?
C4 C5 H5B 108.5 . . ?
C4 C5 C6 115.0(7) . . ?
H5A C5 H5B 107.5 . . ?
C6 C5 H5A 108.5 . . ?
C6 C5 H5B 108.5 . . ?
C5 C6 H6A 108.3 . . ?
C5 C6 H6B 108.3 . . ?
H6A C6 H6B 107.4 . . ?
C7 C6 C5 115.9(6) . . ?
C7 C6 H6A 108.3 . . ?
C7 C6 H6B 108.3 . . ?
C6 C7 H7A 109.0 . . ?
C6 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C8 C7 C6 112.9(7) . . ?
C8 C7 H7A 109.0 . . ?
C8 C7 H7B 109.0 . . ?
C7 C8 H8A 108.3 . . ?
C7 C8 H8B 108.3 . . ?
H8A C8 H8B 107.4 . . ?
C9 C8 C7 115.9(7) . . ?
C9 C8 H8A 108.3 . . ?
C9 C8 H8B 108.3 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 Au1 175.1(6) . . ?
C12 C11 Au1 121.1(4) . . ?
C16 C11 Au1 123.9(5) . . ?
C16 C11 C12 115.0(5) . . ?
C13 C12 C11 122.5(6) . . ?
F1 C12 C11 120.4(5) . . ?
F1 C12 C13 117.1(6) . . ?
C12 C13 C14 120.8(6) . . ?
F2 C13 C12 121.5(7) . . ?
F2 C13 C14 117.6(6) . . ?
C13 C14 C15 118.7(6) . . ?
F3 C14 C13 121.1(7) . . ?
F3 C14 C15 120.1(7) . . ?
C16 C15 C14 119.1(6) . . ?
F4 C15 C14 119.9(6) . . ?
F4 C15 C16 121.0(7) . . ?
C11 C16 C15 123.9(6) . . ?
F5 C16 C11 119.3(6) . . ?
F5 C16 C15 116.8(6) . . ?
C10 N1 C1 174.6(6) . . ?
C2 O2 C4 118.1(5) . . ?

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
Au1 C11 C12 C13 -178.4(5) . . . . ?
Au1 C11 C12 F1 1.3(8) . . . . ?
Au1 C11 C16 C15 179.3(5) . . . . ?
Au1 C11 C16 F5 -2.7(8) . . . . ?
C1 C2 C3 C1 2.9(8) . . . 2_757 ?
C1 C2 O2 C4 177.6(5) . . . . ?
C3 C1 C2 C3 -3.0(9) 2_757 . . . ?
C3 C1 C2 O2 177.7(5) 2_757 . . . ?
C3 C2 O2 C4 -1.5(9) . . . . ?
C4 C5 C6 C7 62.3(9) . . . . ?
C5 C4 O2 C2 176.0(6) . . . . ?
C5 C6 C7 C8 179.9(7) . . . . ?
C6 C7 C8 C9 172.5(8) . . . . ?
C11 C12 C13 C14 -0.8(9) . . . . ?
C11 C12 C13 F2 -179.9(6) . . . . ?
C12 C11 C16 C15 1.5(9) . . . . ?
C12 C11 C16 F5 179.5(5) . . . . ?
C12 C13 C14 C15 1.1(9) . . . . ?
C12 C13 C14 F3 -178.7(6) . . . . ?
C13 C14 C15 C16 -0.2(9) . . . . ?
C13 C14 C15 F4 -178.8(6) . . . . ?
C14 C15 C16 C11 -1.2(10) . . . . ?
C14 C15 C16 F5 -179.2(6) . . . . ?
C16 C11 C12 C13 -0.5(8) . . . . ?
C16 C11 C12 F1 179.1(6) . . . . ?
F1 C12 C13 C14 179.6(6) . . . . ?
F1 C12 C13 F2 0.4(9) . . . . ?
F2 C13 C14 C15 -179.7(6) . . . . ?
F2 C13 C14 F3 0.5(9) . . . . ?
F3 C14 C15 C16 179.7(6) . . . . ?
F3 C14 C15 F4 1.1(9) . . . . ?
F4 C15 C16 C11 177.4(6) . . . . ?
F4 C15 C16 F5 -0.7(9) . . . . ?
N1 C1 C2 C3 177.8(5) . . . . ?
N1 C1 C2 O2 -1.4(7) . . . . ?
O2 C2 C3 C1 -177.9(6) . . . 2_757 ?
O2 C4 C5 C6 60.0(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_C10
_database_code_depnum_ccdc_archive 'CCDC 1939848'
loop_
_audit_author_name
_audit_author_address
'Yu Bao Dong'
;Central China Normal University
China
;
_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2019-11-28 downloaded from the CCDC.
;
_audit_creation_date             2019-05-30
_audit_creation_method           
; 
Olex2 1.2 
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) 
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
'[μ-[1,4-di(isocyano-\kC)-2,5-didecyloxybenzene]]bis(2,3,4,5,6-pentafluorophenyl)digold(I)'
_chemical_formula_moiety         'C40 H44 Au2 F10 N2 O2'
_chemical_formula_sum            'C40 H44 Au2 F10 N2 O2'
_chemical_formula_weight         1168.70
_chemical_melting_point          ?
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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                   9.024(2)
_cell_length_b                   10.678(2)
_cell_length_c                   11.524(3)
_cell_angle_alpha                107.916(3)
_cell_angle_beta                 98.207(4)
_cell_angle_gamma                93.261(4)
_cell_volume                     1039.8(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    5269
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.17
_cell_measurement_theta_min      2.28
_shelx_estimated_absorpt_T_max   0.360
_shelx_estimated_absorpt_T_min   0.330
_exptl_absorpt_coefficient_mu    7.127
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             562
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12821
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.270
_diffrn_reflns_theta_min         1.884
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4120
_reflns_number_total             5080
_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.871
_refine_diff_density_min         -0.391
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         5080
_refine_ls_number_restraints     59
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0290
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0424P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0727
_refine_ls_wR_factor_ref         0.0769
_refine_special_details          ?
_olex2_refinement_description    
; 
1. Fixed Uiso 
 At 1.2 times of: 
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups 
 At 1.5 times of: 
  All C(H,H,H) groups 
2. Restrained distances 
 C13-C12 = C14-C13 = C11-C10 = C12-C11 = C9-C10 
 1.51 with sigma of 0.01 
 C12'-C11 = C13'-C12' = C14'-C13' = C10-C11 
 1.51 with sigma of 0.01 
 C11-C13' = C12'-C14' 
 2.54 with sigma of 0.02 
3. Uiso/Uaniso restraints and constraints 
Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C12') 
\\sim Ueq, Uanis(C13') \\sim Ueq, Uanis(C14') \\sim Ueq: with sigma of 0.01 and 
sigma for terminal atoms of 0.02 
Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq: with sigma of 0.005 and sigma for 
terminal atoms of 0.01 
4. Others 
 Sof(H11C)=Sof(H11D)=Sof(C12')=Sof(H12C)=Sof(H12D)=Sof(C13')=Sof(H13C)= 
 Sof(H13D)=Sof(C14')=Sof(H14D)=Sof(H14E)=Sof(H14F)=1-FVAR(1) 
 Sof(H11A)=Sof(H11B)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(C13)=Sof(H13A)=Sof(H13B)= 
 Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=FVAR(1) 
5.a Secondary CH2 refined with riding coordinates: 
 C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A, 
 H10B), C11(H11A,H11B), C11(H11C,H11D), C12(H12A,H12B), C13(H13A,H13B), 
 C12'(H12C,H12D), C13'(H13C,H13D) 
5.b Aromatic/amide H refined with riding coordinates: 
 C2(H2) 
5.c Idealised Me refined as rotating group: 
 C14(H14A,H14B,H14C), C14'(H14D,H14E,H14F) 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.20897(2) 0.01727(2) 0.06942(2) 0.07067(8) Uani 1 1 d . . . . .
F1 F 0.4690(3) -0.1617(3) -0.0139(3) 0.0965(8) Uani 1 1 d . . . . .
F2 F 0.5763(3) -0.3616(3) 0.0528(4) 0.1141(10) Uani 1 1 d . . . . .
F3 F 0.4497(4) -0.4537(3) 0.2127(3) 0.1189(11) Uani 1 1 d . . . . .
F4 F 0.2138(4) -0.3418(4) 0.3096(3) 0.1112(10) Uani 1 1 d . . . . .
F5 F 0.1043(3) -0.1400(3) 0.2457(3) 0.0968(8) Uani 1 1 d . . . . .
O1 O 0.0511(4) 0.6082(3) -0.1807(3) 0.0822(8) Uani 1 1 d . . . . .
N1 N 0.1129(4) 0.2734(3) 0.0188(3) 0.0676(8) Uani 1 1 d . . . . .
C1 C 0.0578(4) 0.3888(4) 0.0087(4) 0.0614(9) Uani 1 1 d . . . . .
C2 C 0.0908(4) 0.4367(4) -0.0838(4) 0.0657(9) Uani 1 1 d . . . . .
H2 H 0.1519 0.3933 -0.1385 0.079 Uiso 1 1 calc R . . . .
C3 C 0.0318(4) 0.5497(4) -0.0941(4) 0.0638(9) Uani 1 1 d . . . . .
C4 C 0.1459(5) 0.1773(4) 0.0351(4) 0.0713(10) Uani 1 1 d . . . . .
C5 C 0.1494(7) 0.5534(6) -0.2675(5) 0.0924(14) Uani 1 1 d . . . . .
H5A H 0.1143 0.4617 -0.3141 0.111 Uiso 1 1 calc R . . . .
H5B H 0.2512 0.5580 -0.2247 0.111 Uiso 1 1 calc R . . . .
C6 C 0.1445(7) 0.6373(6) -0.3528(5) 0.1033(17) Uani 1 1 d . . . . .
H6A H 0.2038 0.6006 -0.4167 0.124 Uiso 1 1 calc R . . . .
H6B H 0.0413 0.6325 -0.3930 0.124 Uiso 1 1 calc R . . . .
C7 C 0.2033(7) 0.7807(7) -0.2868(5) 0.1121(19) Uani 1 1 d . . . . .
H7A H 0.1486 0.8150 -0.2191 0.135 Uiso 1 1 calc R . . . .
H7B H 0.3083 0.7853 -0.2513 0.135 Uiso 1 1 calc R . . . .
C8 C 0.1905(7) 0.8686(7) -0.3669(6) 0.112(2) Uani 1 1 d . . . . .
H8A H 0.2485 0.8365 -0.4327 0.134 Uiso 1 1 calc R . . . .
H8B H 0.0860 0.8616 -0.4049 0.134 Uiso 1 1 calc R . . . .
C9 C 0.2426(9) 1.0088(7) -0.3008(8) 0.137(2) Uani 1 1 d D . . . .
H9A H 0.3486 1.0130 -0.2678 0.164 Uiso 1 1 calc R . . . .
H9B H 0.1909 1.0352 -0.2302 0.164 Uiso 1 1 calc R . . . .
C10 C 0.2281(10) 1.1162(9) -0.3636(9) 0.165(3) Uani 1 1 d D U . . .
H10A H 0.1238 1.1125 -0.4008 0.198 Uiso 1 1 calc R . . . .
H10B H 0.2559 1.2024 -0.3015 0.198 Uiso 1 1 calc R . . . .
C11 C 0.3221(10) 1.1013(9) -0.4583(8) 0.157(3) Uani 1 1 d D U . . .
H11A H 0.2899 1.0203 -0.5268 0.189 Uiso 0.612(16) 1 calc R . P A 1
H11B H 0.4271 1.1017 -0.4249 0.189 Uiso 0.612(16) 1 calc R . P A 1
H11C H 0.3169 1.0068 -0.4996 0.189 Uiso 0.388(16) 1 calc R . P A 2
H11D H 0.4243 1.1287 -0.4139 0.189 Uiso 0.388(16) 1 calc R . P A 2
C15 C 0.2814(4) -0.1417(4) 0.1122(4) 0.0648(9) Uani 1 1 d . . . . .
C16 C 0.4003(4) -0.2033(4) 0.0665(4) 0.0691(10) Uani 1 1 d . . . . .
C17 C 0.4576(5) -0.3062(4) 0.0987(5) 0.0760(11) Uani 1 1 d . . . . .
C18 C 0.3941(6) -0.3536(5) 0.1804(5) 0.0847(13) Uani 1 1 d . . . . .
C19 C 0.2783(5) -0.2970(4) 0.2287(4) 0.0771(11) Uani 1 1 d . . . . .
C20 C 0.2235(5) -0.1924(4) 0.1945(4) 0.0719(10) Uani 1 1 d . . . . .
C12 C 0.2963(17) 1.2245(13) -0.4984(14) 0.134(5) Uani 0.612(16) 1 d D U P A 1
H12A H 0.1903 1.2238 -0.5289 0.160 Uiso 0.612(16) 1 calc R . P A 1
H12B H 0.3279 1.3043 -0.4285 0.160 Uiso 0.612(16) 1 calc R . P A 1
C13 C 0.3854(17) 1.2217(15) -0.5972(13) 0.153(6) Uani 0.612(16) 1 d D U P A 1
H13A H 0.3513 1.1406 -0.6651 0.183 Uiso 0.612(16) 1 calc R . P A 1
H13B H 0.4895 1.2165 -0.5654 0.183 Uiso 0.612(16) 1 calc R . P A 1
C14 C 0.382(2) 1.3336(16) -0.6484(16) 0.128(6) Uani 0.612(16) 1 d D U P A 1
H14A H 0.2971 1.3162 -0.7139 0.193 Uiso 0.612(16) 1 calc GR . P A 1
H14B H 0.4730 1.3430 -0.6803 0.193 Uiso 0.612(16) 1 calc GR . P A 1
H14C H 0.3732 1.4138 -0.5842 0.193 Uiso 0.612(16) 1 calc GR . P A 1
C12' C 0.308(3) 1.1636(17) -0.5611(15) 0.142(8) Uani 0.388(16) 1 d D U P A 2
H12C H 0.3628 1.1150 -0.6244 0.170 Uiso 0.388(16) 1 calc R . P A 2
H12D H 0.2030 1.1529 -0.5985 0.170 Uiso 0.388(16) 1 calc R . P A 2
C13' C 0.365(3) 1.3067(17) -0.523(2) 0.170(11) Uani 0.388(16) 1 d D U P A 2
H13C H 0.4732 1.3178 -0.4973 0.204 Uiso 0.388(16) 1 calc R . P A 2
H13D H 0.3202 1.3556 -0.4532 0.204 Uiso 0.388(16) 1 calc R . P A 2
C14' C 0.326(3) 1.361(2) -0.629(2) 0.126(9) Uani 0.388(16) 1 d D U P A 2
H14D H 0.3675 1.3109 -0.6988 0.189 Uiso 0.388(16) 1 calc GR . P A 2
H14E H 0.3672 1.4522 -0.6038 0.189 Uiso 0.388(16) 1 calc GR . P A 2
H14F H 0.2185 1.3551 -0.6509 0.189 Uiso 0.388(16) 1 calc GR . P A 2


_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 C4 1.966(4) . ?
Au1 C15 2.025(4) . ?
F1 C16 1.351(5) . ?
F2 C17 1.349(5) . ?
F3 C18 1.335(5) . ?
F4 C19 1.354(5) . ?
F5 C20 1.365(5) . ?
O1 C3 1.356(5) . ?
O1 C5 1.443(5) . ?
N1 C1 1.386(5) . ?
N1 C4 1.145(5) . ?
C1 C2 1.377(6) . ?
C1 C3 1.394(6) 2_565 ?
C2 H2 0.9300 . ?
C2 C3 1.377(5) . ?
C3 C1 1.394(6) 2_565 ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.517(7) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.511(9) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.503(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.469(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.536(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.452(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C11 H11D 0.9700 . ?
C11 C12 1.541(9) . ?
C11 C12' 1.521(9) . ?
C15 C16 1.375(6) . ?
C15 C20 1.375(6) . ?
C16 C17 1.369(6) . ?
C17 C18 1.373(7) . ?
C18 C19 1.341(7) . ?
C19 C20 1.388(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.478(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.487(9) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C12' H12C 0.9700 . ?
C12' H12D 0.9700 . ?
C12' C13' 1.491(10) . ?
C13' H13C 0.9700 . ?
C13' H13D 0.9700 . ?
C13' C14' 1.511(10) . ?
C14' H14D 0.9600 . ?
C14' H14E 0.9600 . ?
C14' H14F 0.9600 . ?

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
C4 Au1 C15 177.12(16) . . ?
C3 O1 C5 118.3(3) . . ?
C4 N1 C1 172.2(4) . . ?
N1 C1 C3 117.1(4) . 2_565 ?
C2 C1 N1 119.9(4) . . ?
C2 C1 C3 123.0(3) . 2_565 ?
C1 C2 H2 120.5 . . ?
C1 C2 C3 119.0(4) . . ?
C3 C2 H2 120.5 . . ?
O1 C3 C1 115.6(3) . 2_565 ?
O1 C3 C2 126.3(4) . . ?
C2 C3 C1 118.0(4) . 2_565 ?
N1 C4 Au1 177.5(4) . . ?
O1 C5 H5A 110.6 . . ?
O1 C5 H5B 110.6 . . ?
O1 C5 C6 105.7(4) . . ?
H5A C5 H5B 108.7 . . ?
C6 C5 H5A 110.6 . . ?
C6 C5 H5B 110.6 . . ?
C5 C6 H6A 108.9 . . ?
C5 C6 H6B 108.9 . . ?
H6A C6 H6B 107.7 . . ?
C7 C6 C5 113.4(5) . . ?
C7 C6 H6A 108.9 . . ?
C7 C6 H6B 108.9 . . ?
C6 C7 H7A 108.6 . . ?
C6 C7 H7B 108.6 . . ?
H7A C7 H7B 107.5 . . ?
C8 C7 C6 114.8(5) . . ?
C8 C7 H7A 108.6 . . ?
C8 C7 H7B 108.6 . . ?
C7 C8 H8A 108.7 . . ?
C7 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
C9 C8 C7 114.4(6) . . ?
C9 C8 H8A 108.7 . . ?
C9 C8 H8B 108.7 . . ?
C8 C9 H9A 106.7 . . ?
C8 C9 H9B 106.7 . . ?
C8 C9 C10 122.5(7) . . ?
H9A C9 H9B 106.6 . . ?
C10 C9 H9A 106.7 . . ?
C10 C9 H9B 106.7 . . ?
C9 C10 H10A 109.1 . . ?
C9 C10 H10B 109.1 . . ?
H10A C10 H10B 107.8 . . ?
C11 C10 C9 112.6(7) . . ?
C11 C10 H10A 109.1 . . ?
C11 C10 H10B 109.1 . . ?
C10 C11 H11A 111.3 . . ?
C10 C11 H11B 111.3 . . ?
C10 C11 H11C 105.5 . . ?
C10 C11 H11D 105.5 . . ?
C10 C11 C12 102.2(8) . . ?
C10 C11 C12' 127.3(13) . . ?
H11A C11 H11B 109.2 . . ?
H11C C11 H11D 106.1 . . ?
C12 C11 H11A 111.3 . . ?
C12 C11 H11B 111.3 . . ?
C12' C11 H11C 105.5 . . ?
C12' C11 H11D 105.5 . . ?
C16 C15 Au1 122.2(3) . . ?
C20 C15 Au1 123.6(3) . . ?
C20 C15 C16 114.1(4) . . ?
F1 C16 C15 120.1(4) . . ?
F1 C16 C17 116.2(4) . . ?
C17 C16 C15 123.8(4) . . ?
F2 C17 C16 121.4(4) . . ?
F2 C17 C18 119.1(4) . . ?
C16 C17 C18 119.6(4) . . ?
F3 C18 C17 119.9(5) . . ?
F3 C18 C19 120.7(5) . . ?
C19 C18 C17 119.4(4) . . ?
F4 C19 C20 119.8(5) . . ?
C18 C19 F4 120.6(4) . . ?
C18 C19 C20 119.6(4) . . ?
F5 C20 C15 119.6(4) . . ?
F5 C20 C19 116.8(4) . . ?
C15 C20 C19 123.6(4) . . ?
C11 C12 H12A 110.1 . . ?
C11 C12 H12B 110.1 . . ?
H12A C12 H12B 108.4 . . ?
C13 C12 C11 108.2(10) . . ?
C13 C12 H12A 110.1 . . ?
C13 C12 H12B 110.1 . . ?
C12 C13 H13A 107.8 . . ?
C12 C13 H13B 107.8 . . ?
C12 C13 C14 118.0(13) . . ?
H13A C13 H13B 107.1 . . ?
C14 C13 H13A 107.8 . . ?
C14 C13 H13B 107.8 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C12' H12C 108.3 . . ?
C11 C12' H12D 108.3 . . ?
H12C C12' H12D 107.4 . . ?
C13' C12' C11 115.8(12) . . ?
C13' C12' H12C 108.3 . . ?
C13' C12' H12D 108.3 . . ?
C12' C13' H13C 109.5 . . ?
C12' C13' H13D 109.5 . . ?
C12' C13' C14' 110.6(13) . . ?
H13C C13' H13D 108.1 . . ?
C14' C13' H13C 109.5 . . ?
C14' C13' H13D 109.5 . . ?
C13' C14' H14D 109.5 . . ?
C13' C14' H14E 109.5 . . ?
C13' C14' H14F 109.5 . . ?
H14D C14' H14E 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?

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
Au1 C15 C16 F1 -2.8(6) . . . . ?
Au1 C15 C16 C17 176.3(3) . . . . ?
Au1 C15 C20 F5 4.3(6) . . . . ?
Au1 C15 C20 C19 -176.5(3) . . . . ?
F1 C16 C17 F2 0.3(6) . . . . ?
F1 C16 C17 C18 179.7(4) . . . . ?
F2 C17 C18 F3 -0.3(7) . . . . ?
F2 C17 C18 C19 178.5(4) . . . . ?
F3 C18 C19 F4 -1.1(7) . . . . ?
F3 C18 C19 C20 179.4(4) . . . . ?
F4 C19 C20 F5 -0.2(6) . . . . ?
F4 C19 C20 C15 -179.4(4) . . . . ?
O1 C5 C6 C7 62.4(6) . . . . ?
N1 C1 C2 C3 178.4(4) . . . . ?
C1 C2 C3 O1 -178.8(4) . . . . ?
C1 C2 C3 C1 0.7(7) . . . 2_565 ?
C3 O1 C5 C6 178.7(4) . . . . ?
C3 C1 C2 C3 -0.7(7) 2_565 . . . ?
C5 O1 C3 C1 176.6(4) . . . 2_565 ?
C5 O1 C3 C2 -3.9(7) . . . . ?
C5 C6 C7 C8 -176.1(5) . . . . ?
C6 C7 C8 C9 177.8(6) . . . . ?
C7 C8 C9 C10 -175.3(7) . . . . ?
C8 C9 C10 C11 -66.7(11) . . . . ?
C9 C10 C11 C12 -175.9(9) . . . . ?
C9 C10 C11 C12' 162.6(11) . . . . ?
C10 C11 C12 C13 -179.4(12) . . . . ?
C10 C11 C12' C13' 76(3) . . . . ?
C11 C12 C13 C14 -178.3(13) . . . . ?
C11 C12' C13' C14' -172(2) . . . . ?
C15 C16 C17 F2 -178.8(4) . . . . ?
C15 C16 C17 C18 0.6(7) . . . . ?
C16 C15 C20 F5 -179.6(4) . . . . ?
C16 C15 C20 C19 -0.4(6) . . . . ?
C16 C17 C18 F3 -179.8(4) . . . . ?
C16 C17 C18 C19 -0.9(7) . . . . ?
C17 C18 C19 F4 -179.9(4) . . . . ?
C17 C18 C19 C20 0.6(7) . . . . ?
C18 C19 C20 F5 179.3(4) . . . . ?
C18 C19 C20 C15 0.1(7) . . . . ?
C20 C15 C16 F1 -179.0(4) . . . . ?
C20 C15 C16 C17 0.0(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_C8
_database_code_depnum_ccdc_archive 'CCDC 1939846'
loop_
_audit_author_name
_audit_author_address
'Yu Bao Dong'
;Central China Normal University
China
;
_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2019-11-28 downloaded from the CCDC.
;
_audit_creation_date             2017-01-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.11.30 svn.r3356 for OlexSys, GUI svn.r5269)
;
_chemical_name_common            ?
_chemical_name_systematic        
'[μ-[1,4-di(isocyano-\kC)-2,5-dioctyloxybenzene]]bis(2,3,4,5,6-pentafluorophenyl)digold(I)'
_chemical_formula_moiety         'C36 H36 Au2 F10 N2 O2'
_chemical_formula_sum            'C36 H36 Au2 F10 N2 O2'
_chemical_formula_weight         1112.60
_chemical_melting_point          ?
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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                   8.569(2)
_cell_length_b                   10.641(3)
_cell_length_c                   10.696(3)
_cell_angle_alpha                101.029(4)
_cell_angle_beta                 98.246(4)
_cell_angle_gamma                93.344(4)
_cell_volume                     943.6(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3951
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.20
_cell_measurement_theta_min      2.41
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.848
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.3953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1315 before and 0.0469 after correction.
The Ratio of minimum to maximum transmission is 0.5301.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.958
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             530
_exptl_crystal_size_max          0.9
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_unetI/netI     0.0526
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8506
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.302
_diffrn_reflns_theta_min         1.964
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3765
_reflns_number_total             4596
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.528
_refine_diff_density_min         -1.253
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4596
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0308
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0392P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0831
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C21(H21A,H21B), C22(H22A,H22B), C25(H25A,H25B), C27(H27A,
 H27B), C29(H29A,H29B), C30(H30A,H30B)
2.b Aromatic/amide H refined with riding coordinates:
 C18(H18)
2.c Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.19674(2) 0.60195(2) 0.02566(2) 0.05389(9) Uani 1 1 d . . . . .
C2 C 0.1434(6) 0.5629(5) 0.1891(5) 0.0548(11) Uani 1 1 d . . . . .
C3 C 0.2540(6) 0.6467(4) -0.1400(4) 0.0479(10) Uani 1 1 d . . . . .
O4 O -0.1215(4) 0.6697(3) 0.3550(3) 0.0589(8) Uani 1 1 d . . . . .
C5 C 0.0583(5) 0.5209(4) 0.3935(4) 0.0433(9) Uani 1 1 d . . . . .
C6 C 0.3374(7) 0.7105(6) -0.3661(5) 0.0675(15) Uani 1 1 d . . . . .
N7 N 0.1123(4) 0.5412(4) 0.2825(3) 0.0482(8) Uani 1 1 d . . . . .
F8 F 0.0390(4) 0.7728(3) -0.1662(4) 0.0857(10) Uani 1 1 d . . . . .
F10 F 0.1203(5) 0.8350(3) -0.3812(4) 0.0930(11) Uani 1 1 d . . . . .
F11 F 0.3760(5) 0.7387(4) -0.4745(3) 0.1020(13) Uani 1 1 d . . . . .
C12 C -0.0689(5) 0.5878(4) 0.4297(4) 0.0448(9) Uani 1 1 d . . . . .
F13 F 0.4723(4) 0.5232(4) -0.1346(3) 0.0895(11) Uani 1 1 d . . . . .
C14 C 0.3808(6) 0.6025(5) -0.1912(4) 0.0572(11) Uani 1 1 d . . . . .
C16 C -0.3038(9) 0.8777(6) -0.0454(6) 0.0805(17) Uani 1 1 d . . . . .
H16A H -0.4144 0.8462 -0.0719 0.097 Uiso 1 1 calc R . . . .
H16B H -0.2409 0.8079 -0.0738 0.097 Uiso 1 1 calc R . . . .
C17 C 0.2101(7) 0.7581(5) -0.3185(5) 0.0590(12) Uani 1 1 d . . . . .
C18 C 0.1267(5) 0.4340(4) 0.4611(4) 0.0457(9) Uani 1 1 d . . . . .
H18 H 0.2107 0.3907 0.4335 0.055 Uiso 1 1 calc R . . . .
F20 F 0.5495(5) 0.5826(5) -0.3513(4) 0.1116(15) Uani 1 1 d . . . . .
C21 C -0.2900(8) 0.8022(6) 0.1682(5) 0.0751(15) Uani 1 1 d . . . . .
H21A H -0.3966 0.7606 0.1423 0.090 Uiso 1 1 calc R . . . .
H21B H -0.2171 0.7391 0.1431 0.090 Uiso 1 1 calc R . . . .
C22 C -0.2686(8) 0.9863(6) -0.1118(6) 0.0783(16) Uani 1 1 d . . . . .
H22A H -0.3324 1.0554 -0.0834 0.094 Uiso 1 1 calc R . . . .
H22B H -0.1585 1.0186 -0.0832 0.094 Uiso 1 1 calc R . . . .
C23 C 0.1696(6) 0.7257(5) -0.2062(5) 0.0556(11) Uani 1 1 d . . . . .
C25 C -0.2713(8) 0.9131(6) 0.0967(6) 0.0787(16) Uani 1 1 d . . . . .
H25A H -0.3418 0.9770 0.1249 0.094 Uiso 1 1 calc R . . . .
H25B H -0.1639 0.9531 0.1222 0.094 Uiso 1 1 calc R . . . .
C27 C -0.2971(12) 0.9552(8) -0.2559(7) 0.107(3) Uani 1 1 d . . . . .
H27A H -0.4076 0.9246 -0.2855 0.128 Uiso 1 1 calc R . . . .
H27B H -0.2339 0.8861 -0.2853 0.128 Uiso 1 1 calc R . . . .
C29 C -0.2595(9) 0.8457(6) 0.3107(6) 0.0821(18) Uani 1 1 d . . . . .
H29A H -0.3424 0.8991 0.3354 0.098 Uiso 1 1 calc R . . . .
H29B H -0.1604 0.8997 0.3337 0.098 Uiso 1 1 calc R . . . .
C30 C -0.2508(7) 0.7437(6) 0.3890(5) 0.0682(14) Uani 1 1 d . . . . .
H30A H -0.2318 0.7821 0.4803 0.082 Uiso 1 1 calc R . . . .
H30B H -0.3493 0.6890 0.3700 0.082 Uiso 1 1 calc R . . . .
C32 C 0.4238(6) 0.6314(6) -0.3017(5) 0.0683(14) Uani 1 1 d . . . . .
C38 C -0.2577(14) 1.0677(9) -0.3162(8) 0.135(4) Uani 1 1 d . . . . .
H38A H -0.2876 1.0437 -0.4082 0.203 Uiso 1 1 calc GR . . . .
H38B H -0.1460 1.0924 -0.2956 0.203 Uiso 1 1 calc GR . . . .
H38C H -0.3145 1.1387 -0.2833 0.203 Uiso 1 1 calc GR . . . .


_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 C2 1.980(5) . ?
Au1 C3 2.037(4) . ?
C2 N7 1.132(6) . ?
C3 C14 1.354(7) . ?
C3 C23 1.372(7) . ?
O4 C12 1.345(5) . ?
O4 C30 1.445(6) . ?
C5 N7 1.383(5) . ?
C5 C12 1.397(6) . ?
C5 C18 1.385(6) . ?
C6 F11 1.332(6) . ?
C6 C17 1.353(9) . ?
C6 C32 1.372(9) . ?
F8 C23 1.344(6) . ?
F10 C17 1.358(6) . ?
C12 C18 1.385(6) 2_566 ?
F13 C14 1.353(6) . ?
C14 C32 1.370(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C22 1.506(8) . ?
C16 C25 1.475(8) . ?
C17 C23 1.395(7) . ?
C18 C12 1.385(6) 2_566 ?
C18 H18 0.9300 . ?
F20 C32 1.354(7) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C25 1.536(7) . ?
C21 C29 1.486(8) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C27 1.494(9) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C38 1.508(10) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.492(7) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?

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
C2 Au1 C3 178.52(18) . . ?
N7 C2 Au1 179.5(5) . . ?
C14 C3 Au1 122.1(3) . . ?
C14 C3 C23 115.1(4) . . ?
C23 C3 Au1 122.8(4) . . ?
C12 O4 C30 118.5(4) . . ?
N7 C5 C12 117.1(4) . . ?
N7 C5 C18 120.0(4) . . ?
C18 C5 C12 122.9(4) . . ?
F11 C6 C17 120.4(6) . . ?
F11 C6 C32 120.9(6) . . ?
C17 C6 C32 118.6(5) . . ?
C2 N7 C5 173.5(5) . . ?
O4 C12 C5 115.9(4) . . ?
O4 C12 C18 126.3(4) . 2_566 ?
C18 C12 C5 117.7(4) 2_566 . ?
C3 C14 C32 123.8(5) . . ?
F13 C14 C3 120.3(4) . . ?
F13 C14 C32 115.8(5) . . ?
H16A C16 H16B 107.6 . . ?
C22 C16 H16A 108.7 . . ?
C22 C16 H16B 108.7 . . ?
C25 C16 H16A 108.7 . . ?
C25 C16 H16B 108.7 . . ?
C25 C16 C22 114.1(6) . . ?
C6 C17 F10 120.1(5) . . ?
C6 C17 C23 119.6(5) . . ?
F10 C17 C23 120.2(5) . . ?
C5 C18 C12 119.4(4) . 2_566 ?
C5 C18 H18 120.3 . . ?
C12 C18 H18 120.3 2_566 . ?
H21A C21 H21B 107.8 . . ?
C25 C21 H21A 109.0 . . ?
C25 C21 H21B 109.0 . . ?
C29 C21 H21A 109.0 . . ?
C29 C21 H21B 109.0 . . ?
C29 C21 C25 112.7(5) . . ?
C16 C22 H22A 108.2 . . ?
C16 C22 H22B 108.2 . . ?
H22A C22 H22B 107.4 . . ?
C27 C22 C16 116.4(6) . . ?
C27 C22 H22A 108.2 . . ?
C27 C22 H22B 108.2 . . ?
C3 C23 C17 122.9(5) . . ?
F8 C23 C3 120.4(4) . . ?
F8 C23 C17 116.8(4) . . ?
C16 C25 C21 115.8(5) . . ?
C16 C25 H25A 108.3 . . ?
C16 C25 H25B 108.3 . . ?
C21 C25 H25A 108.3 . . ?
C21 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C22 C27 H27A 108.8 . . ?
C22 C27 H27B 108.8 . . ?
C22 C27 C38 113.6(7) . . ?
H27A C27 H27B 107.7 . . ?
C38 C27 H27A 108.8 . . ?
C38 C27 H27B 108.8 . . ?
C21 C29 H29A 108.1 . . ?
C21 C29 H29B 108.1 . . ?
C21 C29 C30 116.9(5) . . ?
H29A C29 H29B 107.3 . . ?
C30 C29 H29A 108.1 . . ?
C30 C29 H29B 108.1 . . ?
O4 C30 C29 106.9(4) . . ?
O4 C30 H30A 110.3 . . ?
O4 C30 H30B 110.3 . . ?
C29 C30 H30A 110.3 . . ?
C29 C30 H30B 110.3 . . ?
H30A C30 H30B 108.6 . . ?
C14 C32 C6 119.9(5) . . ?
F20 C32 C6 118.2(5) . . ?
F20 C32 C14 121.9(5) . . ?
C27 C38 H38A 109.5 . . ?
C27 C38 H38B 109.5 . . ?
C27 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?

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
Au1 C3 C14 F13 1.8(7) . . . . ?
Au1 C3 C14 C32 -179.4(4) . . . . ?
Au1 C3 C23 F8 -3.0(7) . . . . ?
Au1 C3 C23 C17 179.0(4) . . . . ?
C3 C14 C32 C6 0.8(9) . . . . ?
C3 C14 C32 F20 -178.4(5) . . . . ?
C6 C17 C23 C3 0.2(8) . . . . ?
C6 C17 C23 F8 -178.0(5) . . . . ?
N7 C5 C12 O4 -2.8(6) . . . . ?
N7 C5 C12 C18 178.5(4) . . . 2_566 ?
N7 C5 C18 C12 -178.4(4) . . . 2_566 ?
F10 C17 C23 C3 178.8(5) . . . . ?
F10 C17 C23 F8 0.7(7) . . . . ?
F11 C6 C17 F10 0.1(8) . . . . ?
F11 C6 C17 C23 178.8(5) . . . . ?
F11 C6 C32 C14 -179.2(5) . . . . ?
F11 C6 C32 F20 0.0(8) . . . . ?
C12 O4 C30 C29 167.3(5) . . . . ?
C12 C5 C18 C12 -0.6(7) . . . 2_566 ?
F13 C14 C32 C6 179.6(5) . . . . ?
F13 C14 C32 F20 0.4(8) . . . . ?
C14 C3 C23 F8 178.3(4) . . . . ?
C14 C3 C23 C17 0.3(7) . . . . ?
C16 C22 C27 C38 -179.3(8) . . . . ?
C17 C6 C32 C14 -0.3(8) . . . . ?
C17 C6 C32 F20 178.9(5) . . . . ?
C18 C5 C12 O4 179.4(4) . . . . ?
C18 C5 C12 C18 0.6(7) . . . 2_566 ?
C21 C29 C30 O4 60.7(8) . . . . ?
C22 C16 C25 C21 -174.2(6) . . . . ?
C23 C3 C14 F13 -179.5(5) . . . . ?
C23 C3 C14 C32 -0.8(8) . . . . ?
C25 C16 C22 C27 179.1(7) . . . . ?
C25 C21 C29 C30 -171.1(6) . . . . ?
C29 C21 C25 C16 -178.5(6) . . . . ?
C30 O4 C12 C5 -178.7(4) . . . . ?
C30 O4 C12 C18 -0.1(7) . . . 2_566 ?
C32 C6 C17 F10 -178.8(5) . . . . ?
C32 C6 C17 C23 -0.2(8) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_C7
_database_code_depnum_ccdc_archive 'CCDC 1939845'
loop_
_audit_author_name
_audit_author_address
'Yu Bao Dong'
;Central China Normal University
China
;
_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2019-11-28 downloaded from the CCDC.
;
_audit_creation_date             2019-05-31
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.04.25 svn.r3594 for OlexSys, GUI svn.r5751)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
'[μ-[1,4-di(isocyano-\kC)-2,5-diheptyloxybenzene]]bis(2,3,4,5,6-pentafluorophenyl)digold(I)'
_chemical_formula_moiety         'C34 H32 Au2 F10 N2 O2'
_chemical_formula_sum            'C34 H32 Au2 F10 N2 O2'
_chemical_formula_weight         1084.55
_chemical_melting_point          ?
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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                   8.8498(16)
_cell_length_b                   9.9117(18)
_cell_length_c                   10.5130(18)
_cell_angle_alpha                93.537(3)
_cell_angle_beta                 96.872(3)
_cell_angle_gamma                95.434(3)
_cell_volume                     908.9(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3121
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.46
_cell_measurement_theta_min      2.74
_shelx_estimated_absorpt_T_max   0.496
_shelx_estimated_absorpt_T_min   0.356
_exptl_absorpt_coefficient_mu    8.145
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0905 before and 0.0398 after correction.
The Ratio of minimum to maximum transmission is 0.7192.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.981
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             514
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_unetI/netI     0.0393
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6945
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         1.956
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2848
_reflns_number_total             3520
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max         0.748
_refine_diff_density_min         -0.590
_refine_diff_density_rms         0.118
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         3520
_refine_ls_number_restraints     121
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0312
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0577P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0952
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O1-C14 = O1-C14'
 1.42 with sigma of 0.01
 C18'-C19' = C19'-C20'
 1.51 with sigma of 0.01
 C14'-C15' = C15'-C16' = C16'-C17' = C17'-C18'
 1.51 with sigma of 0.01
 C14-C15 = C15-C16 = C16-C17 = C17-C18 = C18-C19 = C19-C20
 1.51 with sigma of 0.01
 C10-C14 = O1-C15 = C14-C16 = C15-C17 = C16-C18 = C17-C19
 2.45 with sigma of 0.02
 C10-C14' = O1-C15' = C14'-C16' = C15'-C17' = C17'-C19' = C18'-C20'
 2.45 with sigma of 0.02
3. Rigid bond restraints
 C18, C19
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
Uanis(O1) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C16)
\\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C19) \\sim Ueq,
Uanis(C20) \\sim Ueq, Uanis(O1') \\sim Ueq, Uanis(C14') \\sim Ueq, Uanis(C15')
\\sim Ueq, Uanis(C16') \\sim Ueq, Uanis(C17') \\sim Ueq, Uanis(C18') \\sim Ueq,
Uanis(C19') \\sim Ueq, Uanis(C20') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5. Others
 Sof(O1')=Sof(C14')=Sof(H14C)=Sof(H14D)=Sof(C15')=Sof(H15C)=Sof(H15D)=
 Sof(C16')=Sof(H16C)=Sof(H16D)=Sof(C17')=Sof(H17C)=Sof(H17D)=Sof(C18')=
 Sof(H18C)=Sof(H18D)=Sof(C19')=Sof(H19C)=Sof(H19D)=Sof(C20')=Sof(H20D)=
 Sof(H20E)=Sof(H20F)=1-FVAR(1)
 Sof(O1)=Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(C16)=
 Sof(H16A)=Sof(H16B)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(C18)=Sof(H18A)=Sof(H18B)=
 Sof(C19)=Sof(H19A)=Sof(H19B)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,
 H18B), C19(H19A,H19B), C14'(H14C,H14D), C15'(H15C,H15D), C16'(H16C,H16D),
 C17'(H17C,H17D), C18'(H18C,H18D), C19'(H19C,H19D)
6.b Aromatic/amide H refined with riding coordinates:
 C9(H9)
6.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C20'(H20D,H20E,H20F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.70345(3) 1.10485(3) -0.49446(2) 0.07104(13) Uani 1 1 d . . . . .
C11 C 0.7660(8) 1.1540(6) -0.6679(6) 0.0634(14) Uani 1 1 d . . . . .
C12 C 0.8902(7) 1.1074(7) -0.7120(6) 0.0716(16) Uani 1 1 d . . . . .
C3 C 0.9347(8) 1.1374(9) -0.8272(7) 0.084(2) Uani 1 1 d . . . . .
C4 C 0.8541(9) 1.2181(9) -0.9047(7) 0.085(2) Uani 1 1 d . . . . .
C5 C 0.7272(10) 1.2681(7) -0.8626(7) 0.080(2) Uani 1 1 d . . . . .
C6 C 0.6849(8) 1.2339(6) -0.7483(7) 0.0695(15) Uani 1 1 d . . . . .
C7 C 0.6454(8) 1.0628(7) -0.3263(7) 0.0717(16) Uani 1 1 d . . . . .
C8 C 0.5567(7) 1.0180(6) -0.1113(6) 0.0618(13) Uani 1 1 d . . . . .
C9 C 0.6187(7) 0.9278(6) -0.0335(6) 0.0643(14) Uani 1 1 d . . . . .
H9 H 0.698123 0.880696 -0.057389 0.077 Uiso 1 1 calc R . . . .
C10 C 0.5621(7) 0.9066(6) 0.0819(6) 0.0619(14) Uani 1 1 d D . . . .
O1 O 0.6219(14) 0.8331(12) 0.1713(15) 0.068(3) Uani 0.669(17) 1 d D U P A 1
C14 C 0.7293(18) 0.7398(14) 0.1424(11) 0.079(5) Uani 0.669(17) 1 d D U P A 1
H14A H 0.829518 0.788861 0.142224 0.094 Uiso 0.669(17) 1 calc R . P A 1
H14B H 0.697710 0.694354 0.057712 0.094 Uiso 0.669(17) 1 calc R . P A 1
C15 C 0.7377(17) 0.6368(10) 0.2409(10) 0.093(4) Uani 0.669(17) 1 d D U P A 1
H15A H 0.811286 0.574711 0.220556 0.112 Uiso 0.669(17) 1 calc R . P A 1
H15B H 0.638665 0.584312 0.235884 0.112 Uiso 0.669(17) 1 calc R . P A 1
C16 C 0.783(2) 0.6978(14) 0.3761(10) 0.099(4) Uani 0.669(17) 1 d D U P A 1
H16A H 0.698249 0.742033 0.404701 0.119 Uiso 0.669(17) 1 calc R . P A 1
H16B H 0.869155 0.766168 0.378145 0.119 Uiso 0.669(17) 1 calc R . P A 1
C17 C 0.825(3) 0.590(3) 0.4665(19) 0.240(18) Uani 0.669(17) 1 d D U P A 1
H17A H 0.807599 0.501413 0.420243 0.288 Uiso 0.669(17) 1 calc R . P A 1
H17B H 0.932925 0.606816 0.499482 0.288 Uiso 0.669(17) 1 calc R . P A 1
C18 C 0.732(4) 0.593(3) 0.575(2) 0.196(10) Uani 0.669(17) 1 d D U P A 1
H18A H 0.624584 0.588285 0.540988 0.235 Uiso 0.669(17) 1 calc R . P A 1
H18B H 0.758202 0.679065 0.626047 0.235 Uiso 0.669(17) 1 calc R . P A 1
C19 C 0.754(4) 0.479(2) 0.6619(18) 0.172(8) Uani 0.669(17) 1 d D U P A 1
H19A H 0.664481 0.412876 0.648104 0.207 Uiso 0.669(17) 1 calc R . P A 1
H19B H 0.841905 0.433741 0.642566 0.207 Uiso 0.669(17) 1 calc R . P A 1
C20 C 0.778(3) 0.537(3) 0.799(2) 0.177(10) Uani 0.669(17) 1 d D U P A 1
H20A H 0.849888 0.617102 0.807143 0.266 Uiso 0.669(17) 1 calc GR . P A 1
H20B H 0.818429 0.470843 0.853329 0.266 Uiso 0.669(17) 1 calc GR . P A 1
H20C H 0.682833 0.559850 0.824282 0.266 Uiso 0.669(17) 1 calc GR . P A 1
O1' O 0.587(3) 0.797(2) 0.163(3) 0.057(5) Uani 0.331(17) 1 d . U P A 2
C14' C 0.742(7) 0.740(6) 0.145(4) 0.18(3) Uani 0.331(17) 1 d D U P A 2
H14C H 0.722833 0.666354 0.078386 0.216 Uiso 0.331(17) 1 calc R . P A 2
H14D H 0.809285 0.811042 0.115410 0.216 Uiso 0.331(17) 1 calc R . P A 2
C15' C 0.825(4) 0.688(5) 0.264(3) 0.17(2) Uani 0.331(17) 1 d D U P A 2
H15C H 0.869220 0.605509 0.240565 0.207 Uiso 0.331(17) 1 calc R . P A 2
H15D H 0.907231 0.755381 0.302035 0.207 Uiso 0.331(17) 1 calc R . P A 2
C16' C 0.714(3) 0.660(3) 0.358(2) 0.104(10) Uani 0.331(17) 1 d D U P A 2
H16C H 0.618976 0.616490 0.311277 0.125 Uiso 0.331(17) 1 calc R . P A 2
H16D H 0.692363 0.746179 0.397028 0.125 Uiso 0.331(17) 1 calc R . P A 2
C17' C 0.765(3) 0.5727(17) 0.4630(14) 0.059(5) Uani 0.331(17) 1 d D U P A 2
H17C H 0.853764 0.533157 0.437410 0.071 Uiso 0.331(17) 1 calc R . P A 2
H17D H 0.684755 0.498261 0.459907 0.071 Uiso 0.331(17) 1 calc R . P A 2
C18' C 0.805(3) 0.620(2) 0.6022(17) 0.090(8) Uani 0.331(17) 1 d D U P A 2
H18C H 0.894978 0.686406 0.610993 0.108 Uiso 0.331(17) 1 calc R . P A 2
H18D H 0.721826 0.666111 0.630395 0.108 Uiso 0.331(17) 1 calc R . P A 2
C19' C 0.838(4) 0.509(4) 0.689(3) 0.152(17) Uani 0.331(17) 1 d D U P A 2
H19C H 0.910574 0.544637 0.762227 0.183 Uiso 0.331(17) 1 calc R . P A 2
H19D H 0.882290 0.437935 0.642755 0.183 Uiso 0.331(17) 1 calc R . P A 2
C20' C 0.691(6) 0.451(6) 0.734(7) 0.23(3) Uani 0.331(17) 1 d D U P A 2
H20D H 0.636790 0.523815 0.762752 0.352 Uiso 0.331(17) 1 calc GR . P A 2
H20E H 0.714936 0.394825 0.803173 0.352 Uiso 0.331(17) 1 calc GR . P A 2
H20F H 0.629295 0.397442 0.664043 0.352 Uiso 0.331(17) 1 calc GR . P A 2
F1 F 0.9776(5) 1.0268(6) -0.6427(4) 0.1067(15) Uani 1 1 d . . . . .
F2 F 1.0608(6) 1.0863(7) -0.8695(6) 0.131(2) Uani 1 1 d . . . . .
F3 F 0.8972(7) 1.2464(7) -1.0179(5) 0.1274(19) Uani 1 1 d . . . . .
F4 F 0.6458(6) 1.3473(5) -0.9373(5) 0.1111(15) Uani 1 1 d . . . . .
F5 F 0.5605(5) 1.2833(5) -0.7134(5) 0.1001(13) Uani 1 1 d . . . . .
N1 N 0.6110(6) 1.0380(6) -0.2279(5) 0.0676(12) Uani 1 1 d . . . . .


_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 C11 2.041(6) . ?
Au1 C7 1.957(7) . ?
C11 C12 1.352(9) . ?
C11 C6 1.380(9) . ?
C12 C3 1.359(9) . ?
C12 F1 1.350(7) . ?
C3 C4 1.365(11) . ?
C3 F2 1.378(9) . ?
C4 C5 1.379(12) . ?
C4 F3 1.331(8) . ?
C5 C6 1.354(10) . ?
C5 F4 1.341(8) . ?
C6 F5 1.328(8) . ?
C7 N1 1.148(8) . ?
C8 C9 1.358(9) . ?
C8 C10 1.399(8) 2_675 ?
C8 N1 1.388(8) . ?
C9 H9 0.9300 . ?
C9 C10 1.387(8) . ?
C10 O1 1.317(14) . ?
C10 O1' 1.44(3) . ?
O1 C14 1.433(9) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.500(9) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.503(9) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.514(10) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.489(10) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.507(10) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.502(10) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
O1' C14' 1.56(4) . ?
C14' H14C 0.9700 . ?
C14' H14D 0.9700 . ?
C14' C15' 1.512(10) . ?
C15' H15C 0.9700 . ?
C15' H15D 0.9700 . ?
C15' C16' 1.497(10) . ?
C16' H16C 0.9700 . ?
C16' H16D 0.9700 . ?
C16' C17' 1.498(10) . ?
C17' H17C 0.9700 . ?
C17' H17D 0.9700 . ?
C17' C18' 1.500(10) . ?
C18' H18C 0.9700 . ?
C18' H18D 0.9700 . ?
C18' C19' 1.500(10) . ?
C19' H19C 0.9700 . ?
C19' H19D 0.9700 . ?
C19' C20' 1.507(10) . ?
C20' H20D 0.9600 . ?
C20' H20E 0.9600 . ?
C20' H20F 0.9600 . ?

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 C11 178.4(2) . . ?
C12 C11 Au1 121.3(5) . . ?
C12 C11 C6 115.6(6) . . ?
C6 C11 Au1 123.1(5) . . ?
C11 C12 C3 122.9(6) . . ?
F1 C12 C11 121.1(6) . . ?
F1 C12 C3 116.0(6) . . ?
C12 C3 C4 120.6(7) . . ?
C12 C3 F2 121.1(7) . . ?
C4 C3 F2 118.3(7) . . ?
C3 C4 C5 118.2(6) . . ?
F3 C4 C3 120.5(8) . . ?
F3 C4 C5 121.3(7) . . ?
C6 C5 C4 119.5(6) . . ?
F4 C5 C4 119.3(7) . . ?
F4 C5 C6 121.2(7) . . ?
C5 C6 C11 123.2(6) . . ?
F5 C6 C11 119.8(6) . . ?
F5 C6 C5 117.0(6) . . ?
N1 C7 Au1 179.8(8) . . ?
C9 C8 C10 123.8(5) . 2_675 ?
C9 C8 N1 119.5(5) . . ?
N1 C8 C10 116.6(5) . 2_675 ?
C8 C9 H9 120.4 . . ?
C8 C9 C10 119.2(6) . . ?
C10 C9 H9 120.4 . . ?
C8 C10 O1' 114.1(11) 2_675 . ?
C9 C10 C8 116.9(5) . 2_675 ?
C9 C10 O1' 127.6(12) . . ?
O1 C10 C8 117.5(7) . 2_675 ?
O1 C10 C9 125.1(7) . . ?
C10 O1 C14 120.4(11) . . ?
O1 C14 H14A 109.7 . . ?
O1 C14 H14B 109.7 . . ?
O1 C14 C15 109.7(9) . . ?
H14A C14 H14B 108.2 . . ?
C15 C14 H14A 109.7 . . ?
C15 C14 H14B 109.7 . . ?
C14 C15 H15A 108.8 . . ?
C14 C15 H15B 108.8 . . ?
C14 C15 C16 113.7(10) . . ?
H15A C15 H15B 107.7 . . ?
C16 C15 H15A 108.8 . . ?
C16 C15 H15B 108.8 . . ?
C15 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
C15 C16 C17 111.2(12) . . ?
H16A C16 H16B 108.0 . . ?
C17 C16 H16A 109.4 . . ?
C17 C16 H16B 109.4 . . ?
C16 C17 H17A 109.6 . . ?
C16 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
C18 C17 C16 110.2(13) . . ?
C18 C17 H17A 109.6 . . ?
C18 C17 H17B 109.6 . . ?
C17 C18 H18A 108.8 . . ?
C17 C18 H18B 108.8 . . ?
C17 C18 C19 113.6(13) . . ?
H18A C18 H18B 107.7 . . ?
C19 C18 H18A 108.8 . . ?
C19 C18 H18B 108.8 . . ?
C18 C19 H19A 109.9 . . ?
C18 C19 H19B 109.9 . . ?
H19A C19 H19B 108.3 . . ?
C20 C19 C18 109(2) . . ?
C20 C19 H19A 109.9 . . ?
C20 C19 H19B 109.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C10 O1' C14' 111(2) . . ?
O1' C14' H14C 108.4 . . ?
O1' C14' H14D 108.4 . . ?
H14C C14' H14D 107.4 . . ?
C15' C14' O1' 116(2) . . ?
C15' C14' H14C 108.4 . . ?
C15' C14' H14D 108.4 . . ?
C14' C15' H15C 109.9 . . ?
C14' C15' H15D 109.9 . . ?
H15C C15' H15D 108.3 . . ?
C16' C15' C14' 109.1(15) . . ?
C16' C15' H15C 109.9 . . ?
C16' C15' H15D 109.9 . . ?
C15' C16' H16C 108.4 . . ?
C15' C16' H16D 108.4 . . ?
C15' C16' C17' 115.7(14) . . ?
H16C C16' H16D 107.4 . . ?
C17' C16' H16C 108.4 . . ?
C17' C16' H16D 108.4 . . ?
C16' C17' H17C 106.0 . . ?
C16' C17' H17D 106.0 . . ?
C16' C17' C18' 125.3(19) . . ?
H17C C17' H17D 106.3 . . ?
C18' C17' H17C 106.0 . . ?
C18' C17' H17D 106.0 . . ?
C17' C18' H18C 108.7 . . ?
C17' C18' H18D 108.7 . . ?
H18C C18' H18D 107.6 . . ?
C19' C18' C17' 114.2(14) . . ?
C19' C18' H18C 108.7 . . ?
C19' C18' H18D 108.7 . . ?
C18' C19' H19C 109.7 . . ?
C18' C19' H19D 109.7 . . ?
C18' C19' C20' 109.8(15) . . ?
H19C C19' H19D 108.2 . . ?
C20' C19' H19C 109.7 . . ?
C20' C19' H19D 109.7 . . ?
C19' C20' H20D 109.5 . . ?
C19' C20' H20E 109.5 . . ?
C19' C20' H20F 109.5 . . ?
H20D C20' H20E 109.5 . . ?
H20D C20' H20F 109.5 . . ?
H20E C20' H20F 109.5 . . ?
C7 N1 C8 173.5(6) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C9 H9 F2 0.93 2.35 3.139(8) 142.0 2_774 yes

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
Au1 C11 C12 C3 179.6(6) . . . . ?
Au1 C11 C12 F1 0.0(9) . . . . ?
Au1 C11 C6 C5 179.1(5) . . . . ?
Au1 C11 C6 F5 0.4(9) . . . . ?
C11 C12 C3 C4 0.3(12) . . . . ?
C11 C12 C3 F2 -179.0(7) . . . . ?
C12 C11 C6 C5 -1.8(10) . . . . ?
C12 C11 C6 F5 179.5(6) . . . . ?
C12 C3 C4 C5 0.1(12) . . . . ?
C12 C3 C4 F3 -179.5(7) . . . . ?
C3 C4 C5 C6 -1.3(11) . . . . ?
C3 C4 C5 F4 -179.8(7) . . . . ?
C4 C5 C6 C11 2.3(11) . . . . ?
C4 C5 C6 F5 -179.0(7) . . . . ?
C6 C11 C12 C3 0.5(10) . . . . ?
C6 C11 C12 F1 -179.1(6) . . . . ?
C8 C9 C10 C8 -0.5(10) . . . 2_675 ?
C8 C9 C10 O1 -172.6(10) . . . . ?
C8 C9 C10 O1' 165.3(14) . . . . ?
C8 C10 O1 C14 171.7(12) 2_675 . . . ?
C8 C10 O1' C14' -167(3) 2_675 . . . ?
C9 C10 O1 C14 -16.2(19) . . . . ?
C9 C10 O1' C14' 27(4) . . . . ?
C10 C8 C9 C10 0.5(11) 2_675 . . . ?
C10 O1 C14 C15 -160.3(13) . . . . ?
C10 O1' C14' C15' 147(4) . . . . ?
O1 C14 C15 C16 -58.1(19) . . . . ?
C14 C15 C16 C17 -166.7(15) . . . . ?
C15 C16 C17 C18 -125(3) . . . . ?
C16 C17 C18 C19 173(2) . . . . ?
C17 C18 C19 C20 133(3) . . . . ?
O1' C14' C15' C16' 19(7) . . . . ?
C14' C15' C16' C17' 164(4) . . . . ?
C15' C16' C17' C18' 111(4) . . . . ?
C16' C17' C18' C19' 174(2) . . . . ?
C17' C18' C19' C20' -89(5) . . . . ?
F1 C12 C3 C4 180.0(7) . . . . ?
F1 C12 C3 F2 0.6(11) . . . . ?
F2 C3 C4 C5 179.4(7) . . . . ?
F2 C3 C4 F3 -0.1(12) . . . . ?
F3 C4 C5 C6 178.2(7) . . . . ?
F3 C4 C5 F4 -0.3(11) . . . . ?
F4 C5 C6 C11 -179.3(6) . . . . ?
F4 C5 C6 F5 -0.6(10) . . . . ?
N1 C8 C9 C10 -179.0(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_C9
_database_code_depnum_ccdc_archive 'CCDC 1939847'
loop_
_audit_author_name
_audit_author_address
'Yu Bao Dong'
;Central China Normal University
China
;
_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2019-11-28 downloaded from the CCDC.
;
_audit_creation_date             2019-05-30
_audit_creation_method           
; 
Olex2 1.2 
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) 
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
'[μ-[1,4-di(isocyano-\kC)-2,5-dinonyloxybenzene]]bis(2,3,4,5,6-pentafluorophenyl)digold(I)'
_chemical_formula_moiety         'C38 H40 Au2 F10 N2 O2'
_chemical_formula_sum            'C38 H40 Au2 F10 N2 O2'
_chemical_formula_weight         1140.65
_chemical_melting_point          ?
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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                   8.828(3)
_cell_length_b                   10.637(3)
_cell_length_c                   11.035(3)
_cell_angle_alpha                104.086(4)
_cell_angle_beta                 94.677(4)
_cell_angle_gamma                95.957(4)
_cell_volume                     993.5(5)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3430
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.25
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.523
_shelx_estimated_absorpt_T_min   0.401
_exptl_absorpt_coefficient_mu    7.457
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.2878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.907
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             546
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.0734
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7094
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.491
_diffrn_reflns_theta_min         1.914
_diffrn_ambient_temperature      294(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2831
_reflns_number_total             3650
_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.553
_refine_diff_density_min         -1.223
_refine_diff_density_rms         0.215
_refine_ls_extinction_coef       0.021(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3650
_refine_ls_number_restraints     31
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0556
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0958P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1485
_refine_ls_wR_factor_ref         0.1578
_refine_special_details          ?
_olex2_refinement_description    
; 
1. Fixed Uiso 
 At 1.2 times of: 
  All C(H) groups, All C(H,H) groups 
 At 1.5 times of: 
  All C(H,H,H) groups 
2. Restrained distances 
 C17-C18 = C18-C19 
 1.51 with sigma of 0.01 
 C11-C12 = C12-C13 = C13-C14 = C14-C15 = C15-C16 = C16-C17 
 1.51 with sigma of 0.01 
 C9-O1 = O1-C11 
 1.42 with sigma of 0.01 
 C16-C18 = C17-C19 
 2.54 with sigma of 0.02 
 C9-C11 = O1-C12 = C11-C13 = C12-C14 = C13-C15 = C14-C16 = C15-C17 
 2.54 with sigma of 0.02 
3. Uiso/Uaniso restraints and constraints 
Uanis(C14) \\sim Ueq, Uanis(C15) \\sim Ueq, : with sigma of 0.01 and sigma for 
terminal atoms of 0.02 
4. Others 
 Fixed Uiso: C16(0.2) C17(0.2) C18(0.2) C19(0.2) 
5.a Secondary CH2 refined with riding coordinates: 
 C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A, 
 H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B) 
5.b Aromatic/amide H refined with riding coordinates: 
 C10(H10) 
5.c Idealised Me refined as rotating group: 
 C19(H19A,H19B,H19C) 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.29765(4) -0.02344(3) 0.40901(4) 0.0719(3) Uani 1 1 d . . . . .
C1 C 0.2362(12) 0.1387(9) 0.3631(10) 0.066(2) Uani 1 1 d . . . . .
C2 C 0.1118(13) 0.1956(9) 0.4065(11) 0.078(3) Uani 1 1 d . . . . .
C3 C 0.0695(14) 0.3063(11) 0.3776(14) 0.094(4) Uani 1 1 d . . . . .
C4 C 0.1467(18) 0.3593(11) 0.2961(14) 0.091(4) Uani 1 1 d . . . . .
C5 C 0.2653(17) 0.3104(11) 0.2538(11) 0.085(3) Uani 1 1 d . . . . .
C6 C 0.3141(14) 0.2006(10) 0.2863(10) 0.075(3) Uani 1 1 d . . . . .
C7 C 0.3572(12) -0.1835(11) 0.4468(11) 0.074(3) Uani 1 1 d . . . . .
C8 C 0.4425(10) -0.3913(8) 0.4840(9) 0.058(2) Uani 1 1 d . . . . .
C9 C 0.5564(11) -0.4367(9) 0.4179(8) 0.063(2) Uani 1 1 d D . . . .
C10 C 0.6149(11) -0.5460(9) 0.4311(9) 0.061(2) Uani 1 1 d . . . . .
H10 H 0.6918 -0.5777 0.3840 0.073 Uiso 1 1 calc R . . . .
C11 C 0.7260(16) -0.4035(13) 0.2613(13) 0.112(5) Uani 1 1 d D . . . .
H11A H 0.7102 -0.4971 0.2246 0.135 Uiso 1 1 calc R . . . .
H11B H 0.8208 -0.3826 0.3172 0.135 Uiso 1 1 calc R . . . .
C12 C 0.739(2) -0.3331(11) 0.1582(12) 0.145(7) Uani 1 1 d D . . . .
H12A H 0.8244 -0.3590 0.1125 0.174 Uiso 1 1 calc R . . . .
H12B H 0.6461 -0.3580 0.0996 0.174 Uiso 1 1 calc R . . . .
C13 C 0.761(2) -0.1868(10) 0.2117(13) 0.128(6) Uani 1 1 d D . . . .
H13A H 0.8612 -0.1601 0.2603 0.153 Uiso 1 1 calc R . . . .
H13B H 0.6839 -0.1620 0.2672 0.153 Uiso 1 1 calc R . . . .
C14 C 0.750(3) -0.1191(14) 0.1057(14) 0.163(7) Uani 1 1 d D U . . .
H14A H 0.8260 -0.1474 0.0494 0.195 Uiso 1 1 calc R . . . .
H14B H 0.6499 -0.1465 0.0583 0.195 Uiso 1 1 calc R . . . .
C15 C 0.775(3) 0.0284(13) 0.1493(15) 0.151(7) Uani 1 1 d D U . . .
H15A H 0.8757 0.0572 0.1957 0.182 Uiso 1 1 calc R . . . .
H15B H 0.6992 0.0580 0.2052 0.182 Uiso 1 1 calc R . . . .
C16 C 0.761(3) 0.0880(17) 0.0375(18) 0.200 Uiso 1 1 d D U . . .
H16A H 0.8345 0.0546 -0.0189 0.240 Uiso 1 1 calc R . . . .
H16B H 0.6596 0.0585 -0.0075 0.240 Uiso 1 1 calc R . . . .
C17 C 0.786(3) 0.2341(17) 0.0682(18) 0.200 Uiso 1 1 d D U . . .
H17A H 0.8720 0.2662 0.1332 0.240 Uiso 1 1 calc R . . . .
H17B H 0.6961 0.2684 0.1006 0.240 Uiso 1 1 calc R . . . .
F1 F 0.0273(8) 0.1442(7) 0.4824(8) 0.110(2) Uani 1 1 d . . . . .
F2 F -0.0570(11) 0.3573(10) 0.4220(12) 0.151(4) Uani 1 1 d . . . . .
F3 F 0.1035(13) 0.4696(8) 0.2696(9) 0.136(3) Uani 1 1 d . . . . .
F4 F 0.3479(12) 0.3661(8) 0.1774(7) 0.122(3) Uani 1 1 d . . . . .
F5 F 0.4398(9) 0.1564(7) 0.2410(7) 0.107(2) Uani 1 1 d . . . . .
N1 N 0.3870(9) -0.2786(7) 0.4676(7) 0.0622(18) Uani 1 1 d . . . . .
O1 O 0.6014(10) -0.3663(7) 0.3313(7) 0.086(2) Uani 1 1 d D . . . .
C18 C 0.820(2) 0.283(2) -0.047(2) 0.200 Uiso 1 1 d D U . . .
H18A H 0.8837 0.3669 -0.0204 0.240 Uiso 1 1 calc R . . . .
H18B H 0.8755 0.2222 -0.1005 0.240 Uiso 1 1 calc R . . . .
C19 C 0.675(3) 0.298(3) -0.121(2) 0.200 Uiso 1 1 d D U . . .
H19A H 0.6120 0.2151 -0.1483 0.300 Uiso 1 1 calc GR . . . .
H19B H 0.7005 0.3284 -0.1927 0.300 Uiso 1 1 calc GR . . . .
H19C H 0.6209 0.3601 -0.0688 0.300 Uiso 1 1 calc GR . . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.025(10) . ?
Au1 C7 1.961(12) . ?
C1 C2 1.372(16) . ?
C1 C6 1.377(15) . ?
C2 C3 1.372(15) . ?
C2 F1 1.340(13) . ?
C3 C4 1.36(2) . ?
C3 F2 1.366(16) . ?
C4 C5 1.29(2) . ?
C4 F3 1.360(13) . ?
C5 C6 1.401(16) . ?
C5 F4 1.360(14) . ?
C6 F5 1.337(13) . ?
C7 N1 1.142(13) . ?
C8 C9 1.351(14) . ?
C8 C10 1.375(13) 2_646 ?
C8 N1 1.386(11) . ?
C9 C10 1.354(13) . ?
C9 O1 1.408(8) . ?
C10 C8 1.375(13) 2_646 ?
C10 H10 0.9300 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.512(9) . ?
C11 O1 1.429(8) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.510(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.518(9) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.512(9) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.521(10) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.496(10) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.526(10) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.498(10) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?

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 C1 177.9(4) . . ?
C2 C1 Au1 122.1(8) . . ?
C2 C1 C6 114.6(10) . . ?
C6 C1 Au1 123.3(8) . . ?
C3 C2 C1 122.9(12) . . ?
F1 C2 C1 119.9(9) . . ?
F1 C2 C3 117.1(11) . . ?
C4 C3 C2 119.7(12) . . ?
C4 C3 F2 119.8(12) . . ?
F2 C3 C2 120.3(14) . . ?
C5 C4 C3 119.7(11) . . ?
C5 C4 F3 121.5(14) . . ?
F3 C4 C3 118.7(14) . . ?
C4 C5 C6 121.4(12) . . ?
C4 C5 F4 120.3(12) . . ?
F4 C5 C6 118.3(13) . . ?
C1 C6 C5 121.6(12) . . ?
F5 C6 C1 120.1(10) . . ?
F5 C6 C5 118.3(11) . . ?
N1 C7 Au1 177.7(10) . . ?
C9 C8 C10 120.4(8) . 2_646 ?
C9 C8 N1 119.2(8) . . ?
C10 C8 N1 120.4(9) 2_646 . ?
C8 C9 C10 121.4(8) . . ?
C8 C9 O1 114.8(8) . . ?
C10 C9 O1 123.7(8) . . ?
C8 C10 H10 120.9 2_646 . ?
C9 C10 C8 118.2(9) . 2_646 ?
C9 C10 H10 120.9 . . ?
H11A C11 H11B 108.1 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
O1 C11 H11A 109.5 . . ?
O1 C11 H11B 109.5 . . ?
O1 C11 C12 110.7(9) . . ?
C11 C12 H12A 109.4 . . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C13 C12 C11 111.0(10) . . ?
C13 C12 H12A 109.4 . . ?
C13 C12 H12B 109.4 . . ?
C12 C13 H13A 109.7 . . ?
C12 C13 H13B 109.7 . . ?
C12 C13 C14 109.8(10) . . ?
H13A C13 H13B 108.2 . . ?
C14 C13 H13A 109.7 . . ?
C14 C13 H13B 109.7 . . ?
C13 C14 H14A 108.8 . . ?
C13 C14 H14B 108.8 . . ?
H14A C14 H14B 107.6 . . ?
C15 C14 C13 114.0(11) . . ?
C15 C14 H14A 108.8 . . ?
C15 C14 H14B 108.8 . . ?
C14 C15 H15A 109.6 . . ?
C14 C15 H15B 109.6 . . ?
C14 C15 C16 110.5(11) . . ?
H15A C15 H15B 108.1 . . ?
C16 C15 H15A 109.6 . . ?
C16 C15 H15B 109.6 . . ?
C15 C16 H16A 108.4 . . ?
C15 C16 H16B 108.4 . . ?
H16A C16 H16B 107.4 . . ?
C17 C16 C15 115.6(12) . . ?
C17 C16 H16A 108.4 . . ?
C17 C16 H16B 108.4 . . ?
C16 C17 H17A 109.3 . . ?
C16 C17 H17B 109.3 . . ?
C16 C17 C18 111.6(13) . . ?
H17A C17 H17B 108.0 . . ?
C18 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
C7 N1 C8 171.5(10) . . ?
C9 O1 C11 118.8(7) . . ?
C17 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
C19 C18 C17 111.8(13) . . ?
C19 C18 H18A 109.3 . . ?
C19 C18 H18B 109.3 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C10 H10 F2 0.93 2.42 3.174(13) 137.7 1_645

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
Au1 C1 C2 C3 179.2(9) . . . . ?
Au1 C1 C2 F1 0.4(15) . . . . ?
Au1 C1 C6 C5 178.1(7) . . . . ?
Au1 C1 C6 F5 -2.1(14) . . . . ?
C1 C2 C3 C4 4.3(18) . . . . ?
C1 C2 C3 F2 178.9(11) . . . . ?
C2 C1 C6 C5 -1.7(15) . . . . ?
C2 C1 C6 F5 178.2(9) . . . . ?
C2 C3 C4 C5 -4.9(19) . . . . ?
C2 C3 C4 F3 -179.5(10) . . . . ?
C3 C4 C5 C6 2.3(18) . . . . ?
C3 C4 C5 F4 -176.8(10) . . . . ?
C4 C5 C6 C1 1.1(17) . . . . ?
C4 C5 C6 F5 -178.8(11) . . . . ?
C6 C1 C2 C3 -1.0(16) . . . . ?
C6 C1 C2 F1 -179.8(10) . . . . ?
C8 C9 C10 C8 -1.3(16) . . . 2_646 ?
C8 C9 O1 C11 177.1(11) . . . . ?
C10 C8 C9 C10 1.4(16) 2_646 . . . ?
C10 C8 C9 O1 178.0(9) 2_646 . . . ?
C10 C9 O1 C11 -6.4(16) . . . . ?
C11 C12 C13 C14 -171.7(16) . . . . ?
C12 C11 O1 C9 170.0(11) . . . . ?
C12 C13 C14 C15 -178.8(18) . . . . ?
C13 C14 C15 C16 -179.8(19) . . . . ?
C14 C15 C16 C17 -179(2) . . . . ?
C15 C16 C17 C18 162(2) . . . . ?
C16 C17 C18 C19 88(3) . . . . ?
F1 C2 C3 C4 -176.9(11) . . . . ?
F1 C2 C3 F2 -2.2(17) . . . . ?
F2 C3 C4 C5 -179.5(12) . . . . ?
F2 C3 C4 F3 5.8(18) . . . . ?
F3 C4 C5 C6 176.8(10) . . . . ?
F3 C4 C5 F4 -2.3(18) . . . . ?
F4 C5 C6 C1 -179.9(10) . . . . ?
F4 C5 C6 F5 0.3(14) . . . . ?
N1 C8 C9 C10 179.7(8) . . . . ?
N1 C8 C9 O1 -3.7(13) . . . . ?
O1 C9 C10 C8 -177.7(9) . . . 2_646 ?
O1 C11 C12 C13 58.5(19) . . . . ?

# start Validation Reply Form 
_vrf_PLAT201_C9                  
; 
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......          4 Report 
RESPONSE: This is due to the serious disorder of the carbon 
C16-C19 atoms. Their thermal factors are refined as istropic models. 
;
# end Validation Reply Form 

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_6O
_database_code_depnum_ccdc_archive 'CCDC 1940006'
loop_
_audit_author_name
_audit_author_address
'Yu Bao Dong'
;Central China Normal University
China
;
_audit_update_record             
;
2019-07-12 deposited with the CCDC.	2019-11-28 downloaded from the CCDC.
;
_audit_creation_date             2019-05-31
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.04.25 svn.r3594 for OlexSys, GUI svn.r5751)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C32 H28 Au2 F10 N2 O2'
_chemical_formula_sum            'C32 H28 Au2 F10 N2 O2'
_chemical_formula_weight         1056.50
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.509(5)
_cell_length_b                   36.098(18)
_cell_length_c                   10.429(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.287(8)
_cell_angle_gamma                90
_cell_volume                     3565(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1570
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.14
_cell_measurement_theta_min      2.22
_shelx_estimated_absorpt_T_max   0.682
_shelx_estimated_absorpt_T_min   0.491
_exptl_absorpt_coefficient_mu    8.304
_exptl_absorpt_correction_T_max  0.7450
_exptl_absorpt_correction_T_min  0.5007
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.969
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       piece
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1110
_diffrn_reflns_av_unetI/netI     0.1007
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            22407
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        23.789
_diffrn_reflns_theta_max         23.789
_diffrn_reflns_theta_min         2.041
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2793
_reflns_number_total             5419
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.837
_refine_diff_density_min         -2.052
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         5419
_refine_ls_number_restraints     133
_refine_ls_R_factor_all          0.1465
_refine_ls_R_factor_gt           0.0678
_refine_ls_restrained_S_all      1.224
_refine_ls_shift/su_max          0.089
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0090P)²+32.5708P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1272
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C10-C12 = C10-C12' = C11-C13 = C11-C13' = C12-C14 = C12'-C14'
 2.54 with sigma of 0.02
 C11-C12 = C11-C12' = C12-C13 = C12'-C13' = C13-C14 = C13'-C14'
 1.51 with sigma of 0.01
 C18-C20 = C18'-C20'
 2.54 with sigma of 0.02
 C15-C17 = C15-C17' = C16-C18 = C16-C18' = C17-C19 = C17'-C18'
 2.54 with sigma of 0.02
 C19-C20 = C19'-C20'
 1.51 with sigma of 0.01
 C16-C17 = C16-C17' = C17-C18 = C17'-C18' = C18-C19 = C18'-C19'
 1.51 with sigma of 0.01
3. Rigid bond restraints
 C11, C12
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C11, C12'
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C16, C17'
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
C20' \\sim C19': within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
Uanis(C12) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C17)
\\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C20) \\sim Ueq,
Uanis(C12') \\sim Ueq, Uanis(C13') \\sim Ueq, Uanis(C14') \\sim Ueq,
Uanis(C17') \\sim Ueq, Uanis(C18') \\sim Ueq, Uanis(C19') \\sim Ueq,
Uanis(C20') \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C12) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C17)
\\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C13') \\sim Ueq,
Uanis(C14') \\sim Ueq, Uanis(C17') \\sim Ueq, Uanis(C18') \\sim Ueq,
Uanis(C19') \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C20)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Others
 Sof(H11C)=Sof(H11D)=Sof(C12')=Sof(H12C)=Sof(H12D)=Sof(C13')=Sof(H13C)=
 Sof(H13D)=Sof(C14')=Sof(H14D)=Sof(H14E)=Sof(H14F)=1-FVAR(1)
 Sof(H11A)=Sof(H11B)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(C13)=Sof(H13A)=Sof(H13B)=
 Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=FVAR(1)
 Sof(C17')=Sof(H17C)=Sof(H17D)=Sof(C18')=Sof(H18C)=Sof(H18D)=Sof(C19')=
 Sof(H19C)=Sof(H19D)=Sof(C20')=Sof(H20D)=Sof(H20E)=Sof(H20F)=Sof(H16C)=
 Sof(H16D)=1-FVAR(2)
 Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(C18)=Sof(H18A)=Sof(H18B)=Sof(C19)=Sof(H19A)=
 Sof(H19B)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=Sof(H16A)=Sof(H16B)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C11(H11C,H11D), C12(H12A,H12B),
 C13(H13A,H13B), C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B), C12'(H12C,
 H12D), C13'(H13C,H13D), C17'(H17C,H17D), C18'(H18C,H18D), C19'(H19C,H19D),
 C15(H15A,H15B), C16(H16A,H16B), C16(H16C,H16D)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6)
6.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C20(H20A,H20B,H20C), C14'(H14D,H14E,H14F), C20'(H20D,
 H20E,H20F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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 0.42678(7) 0.31394(2) 0.71287(7) 0.0833(3) Uani 1 1 d . . . . .
Au2 Au 0.18322(7) 0.30689(2) 0.49602(6) 0.0817(3) Uani 1 1 d . . . . .
C1 C 0.7210(18) 0.2660(8) 0.4430(18) 0.086(6) Uani 1 1 d . . . . .
C2 C 0.7918(19) 0.2924(8) 0.3781(17) 0.090(7) Uani 1 1 d . . . . .
C3 C 0.8846(18) 0.2795(7) 0.2897(15) 0.081(6) Uani 1 1 d . . . . .
H3 H 0.934846 0.296256 0.243694 0.098 Uiso 1 1 calc R . . . .
C4 C 0.8996(19) 0.2427(8) 0.2729(16) 0.081(6) Uani 1 1 d . . . . .
C5 C 0.8271(19) 0.2158(8) 0.3333(19) 0.087(6) Uani 1 1 d . . . . .
C6 C 0.7320(17) 0.2286(7) 0.4197(17) 0.087(6) Uani 1 1 d . . . . .
H6 H 0.677024 0.211793 0.460730 0.105 Uiso 1 1 calc R . . . .
C7 C 0.553(2) 0.2920(6) 0.5951(17) 0.086(6) Uani 1 1 d . . . . .
C8 C 1.0652(19) 0.2167(6) 0.1133(18) 0.094(7) Uani 1 1 d . . . . .
C9 C 0.844(2) 0.3566(7) 0.3439(19) 0.121(8) Uani 1 1 d . . . . .
H9A H 0.813890 0.356514 0.252436 0.145 Uiso 1 1 calc R . . . .
H9B H 0.944886 0.352493 0.355790 0.145 Uiso 1 1 calc R . . . .
C10 C 0.806(3) 0.3929(6) 0.404(2) 0.157(11) Uani 1 1 d D . . . .
H10A H 0.704316 0.393624 0.409444 0.188 Uiso 1 1 calc R . . . .
H10B H 0.850970 0.394063 0.491333 0.188 Uiso 1 1 calc R . . . .
C11 C 0.847(3) 0.4251(7) 0.333(3) 0.191(12) Uani 1 1 d D U . . .
H11A H 0.821327 0.420807 0.242363 0.230 Uiso 0.53(4) 1 calc R . P A 1
H11B H 0.949055 0.427289 0.345351 0.230 Uiso 0.53(4) 1 calc R . P A 1
H11C H 0.784083 0.427086 0.254925 0.230 Uiso 0.47(4) 1 calc R . P A 2
H11D H 0.941370 0.420893 0.308148 0.230 Uiso 0.47(4) 1 calc R . P A 2
C12 C 0.784(5) 0.4619(7) 0.369(6) 0.216(19) Uani 0.53(4) 1 d D U P A 1
H12A H 0.685726 0.462614 0.334457 0.259 Uiso 0.53(4) 1 calc R . P A 1
H12B H 0.786210 0.463346 0.462163 0.259 Uiso 0.53(4) 1 calc R . P A 1
C13 C 0.859(6) 0.4952(8) 0.321(6) 0.21(3) Uani 0.53(4) 1 d D U P A 1
H13A H 0.960036 0.491773 0.339949 0.254 Uiso 0.53(4) 1 calc R . P A 1
H13B H 0.840042 0.496436 0.227874 0.254 Uiso 0.53(4) 1 calc R . P A 1
C14 C 0.817(9) 0.5316(9) 0.378(8) 0.29(4) Uani 0.53(4) 1 d D U P A 1
H14A H 0.792220 0.548900 0.309493 0.430 Uiso 0.53(4) 1 calc GR . P A 1
H14B H 0.895453 0.541193 0.432615 0.430 Uiso 0.53(4) 1 calc GR . P A 1
H14C H 0.738198 0.527783 0.426803 0.430 Uiso 0.53(4) 1 calc GR . P A 1
C17 C 0.733(6) 0.0832(6) 0.360(6) 0.19(3) Uani 0.57(4) 1 d D U P B 1
H17A H 0.632185 0.083916 0.333228 0.233 Uiso 0.57(4) 1 calc R . P B 1
H17B H 0.744549 0.084166 0.452965 0.233 Uiso 0.57(4) 1 calc R . P B 1
C18 C 0.793(6) 0.0470(6) 0.315(6) 0.18(3) Uani 0.57(4) 1 d D U P B 1
H18A H 0.759311 0.043023 0.225659 0.219 Uiso 0.57(4) 1 calc R . P B 1
H18B H 0.894750 0.048911 0.320925 0.219 Uiso 0.57(4) 1 calc R . P B 1
C19 C 0.752(6) 0.0140(10) 0.393(8) 0.29(5) Uani 0.57(4) 1 d D U P B 1
H19A H 0.781318 -0.008404 0.351752 0.348 Uiso 0.57(4) 1 calc R . P B 1
H19B H 0.803809 0.015255 0.477870 0.348 Uiso 0.57(4) 1 calc R . P B 1
C20 C 0.596(6) 0.0117(19) 0.409(7) 0.33(5) Uani 0.57(4) 1 d D U P B 1
H20A H 0.547725 0.001954 0.331338 0.502 Uiso 0.57(4) 1 calc GR . P B 1
H20B H 0.560939 0.035918 0.425356 0.502 Uiso 0.57(4) 1 calc GR . P B 1
H20C H 0.581615 -0.004405 0.479664 0.502 Uiso 0.57(4) 1 calc GR . P B 1
C12' C 0.847(4) 0.4620(8) 0.403(4) 0.172(17) Uani 0.47(4) 1 d D U P A 2
H12C H 0.880578 0.458318 0.492592 0.207 Uiso 0.47(4) 1 calc R . P A 2
H12D H 0.911588 0.478758 0.365672 0.207 Uiso 0.47(4) 1 calc R . P A 2
C13' C 0.702(5) 0.4799(15) 0.396(10) 0.33(6) Uani 0.47(4) 1 d D U P A 2
H13C H 0.661176 0.479335 0.307547 0.392 Uiso 0.47(4) 1 calc R . P A 2
H13D H 0.642285 0.465338 0.447017 0.392 Uiso 0.47(4) 1 calc R . P A 2
C14' C 0.703(8) 0.5194(14) 0.443(10) 0.30(5) Uani 0.47(4) 1 d D U P A 2
H14D H 0.687075 0.535882 0.371100 0.457 Uiso 0.47(4) 1 calc GR . P A 2
H14E H 0.793205 0.524887 0.488928 0.457 Uiso 0.47(4) 1 calc GR . P A 2
H14F H 0.630100 0.522691 0.499860 0.457 Uiso 0.47(4) 1 calc GR . P A 2
C17' C 0.759(8) 0.0832(7) 0.381(4) 0.141(16) Uani 0.43(4) 1 d D U P B 2
H17C H 0.681280 0.088980 0.431643 0.169 Uiso 0.43(4) 1 calc R . P B 2
H17D H 0.837561 0.073835 0.436997 0.169 Uiso 0.43(4) 1 calc R . P B 2
C18' C 0.708(10) 0.0518(12) 0.262(7) 0.31(7) Uani 0.43(4) 1 d D U P B 2
H18C H 0.610443 0.055259 0.226674 0.373 Uiso 0.43(4) 1 calc R . P B 2
H18D H 0.769652 0.051733 0.193043 0.373 Uiso 0.43(4) 1 calc R . P B 2
C19' C 0.727(10) 0.018(4) 0.347(18) 0.54(9) Uani 0.43(4) 1 d D U P B 2
H19C H 0.671942 -0.002165 0.306660 0.642 Uiso 0.43(4) 1 calc R . P B 2
H19D H 0.689064 0.023387 0.428426 0.642 Uiso 0.43(4) 1 calc R . P B 2
C20' C 0.878(12) 0.006(4) 0.374(14) 0.55(9) Uani 0.43(4) 1 d D U P B 2
H20D H 0.892399 -0.004502 0.458948 0.827 Uiso 0.43(4) 1 calc GR . P B 2
H20E H 0.939924 0.026441 0.366697 0.827 Uiso 0.43(4) 1 calc GR . P B 2
H20F H 0.898658 -0.012941 0.312132 0.827 Uiso 0.43(4) 1 calc GR . P B 2
C15 C 0.778(2) 0.1525(5) 0.3661(19) 0.099(6) Uani 1 1 d D U . . .
H15A H 0.677657 0.157618 0.361059 0.119 Uiso 1 1 calc R . . . .
H15B H 0.813647 0.151713 0.456244 0.119 Uiso 1 1 calc R . . . .
C16 C 0.801(2) 0.1169(5) 0.307(2) 0.141(9) Uani 1 1 d D U . . .
H16A H 0.902513 0.112520 0.312648 0.169 Uiso 0.57(4) 1 calc R . P B 1
H16B H 0.769341 0.118804 0.215951 0.169 Uiso 0.57(4) 1 calc R . P B 1
H16C H 0.901060 0.114781 0.294533 0.169 Uiso 0.43(4) 1 calc R . P B 2
H16D H 0.749720 0.116536 0.222112 0.169 Uiso 0.43(4) 1 calc R . P B 2
C21 C 0.3015(17) 0.3320(6) 0.3666(16) 0.070(5) Uani 1 1 d . . . . .
C22 C 0.307(2) 0.3693(9) 0.355(2) 0.110(8) Uani 1 1 d . . . . .
C23 C 0.389(4) 0.3890(10) 0.272(4) 0.141(11) Uani 1 1 d . . . . .
C24 C 0.465(3) 0.3680(13) 0.197(3) 0.131(13) Uani 1 1 d . . . . .
C25 C 0.463(2) 0.3328(10) 0.205(2) 0.112(9) Uani 1 1 d . . . . .
C26 C 0.3847(19) 0.3134(7) 0.2868(19) 0.083(6) Uani 1 1 d . . . . .
C27 C 0.3074(17) 0.3403(7) 0.8366(17) 0.078(5) Uani 1 1 d . . . . .
C28 C 0.297(3) 0.3775(8) 0.845(3) 0.111(8) Uani 1 1 d . . . . .
C29 C 0.213(3) 0.3951(9) 0.931(3) 0.132(10) Uani 1 1 d . . . . .
C30 C 0.140(2) 0.3720(11) 1.011(2) 0.105(8) Uani 1 1 d . . . . .
C31 C 0.147(2) 0.3356(9) 1.006(2) 0.101(7) Uani 1 1 d . . . . .
C32 C 0.229(2) 0.3212(7) 0.9170(19) 0.083(6) Uani 1 1 d . . . . .
F1 F 0.2302(17) 0.3914(4) 0.4301(15) 0.157(5) Uani 1 1 d . . . . .
F2 F 0.387(2) 0.4248(5) 0.270(2) 0.229(10) Uani 1 1 d . . . . .
F3 F 0.5477(14) 0.3844(5) 0.1163(13) 0.187(7) Uani 1 1 d . . . . .
F4 F 0.5449(16) 0.3106(4) 0.1295(11) 0.168(6) Uani 1 1 d . . . . .
F5 F 0.3841(14) 0.2766(4) 0.2890(12) 0.136(5) Uani 1 1 d . . . . .
F6 F 0.3731(18) 0.3985(4) 0.7728(17) 0.174(6) Uani 1 1 d . . . . .
F7 F 0.214(2) 0.4312(6) 0.932(2) 0.235(10) Uani 1 1 d . . . . .
F8 F 0.0592(16) 0.3904(5) 1.0937(14) 0.198(8) Uani 1 1 d . . . . .
F9 F 0.0634(11) 0.3173(4) 1.0781(12) 0.152(6) Uani 1 1 d . . . . .
F10 F 0.2266(12) 0.2837(4) 0.9170(11) 0.124(4) Uani 1 1 d . . . . .
N1 N 0.6293(16) 0.2790(5) 0.5274(15) 0.104(6) Uani 1 1 d . . . . .
N2 N 0.9918(15) 0.2299(5) 0.1829(14) 0.093(5) Uani 1 1 d . . . . .
O1 O 0.7715(14) 0.3291(5) 0.4080(13) 0.105(5) Uani 1 1 d . . . . .
O2 O 0.8469(14) 0.1807(5) 0.3037(14) 0.104(5) Uani 1 1 d . . . . .


_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 Au2 3.0949(15) . ?
Au1 C7 1.96(2) . ?
Au1 C27 2.032(19) . ?
Au2 C8 1.93(2) 4_466 ?
Au2 C21 2.046(18) . ?
C1 C2 1.38(3) . ?
C1 C6 1.38(2) . ?
C1 N1 1.38(2) . ?
C2 C3 1.41(2) . ?
C2 O1 1.38(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.35(2) . ?
C4 C5 1.38(3) . ?
C4 N2 1.42(2) . ?
C5 C6 1.41(3) . ?
C5 O2 1.32(2) . ?
C6 H6 0.9300 . ?
C7 N1 1.16(2) . ?
C8 N2 1.155(19) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.51(2) . ?
C9 O1 1.41(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.45(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C11 H11D 0.9700 . ?
C11 C12 1.515(10) . ?
C11 C12' 1.517(10) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.510(10) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.509(10) . ?
C14 H14A 0.9601 . ?
C14 H14B 0.9601 . ?
C14 H14C 0.9601 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.514(10) . ?
C17 C16 1.509(10) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.511(10) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.509(10) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C12' H12C 0.9700 . ?
C12' H12D 0.9700 . ?
C12' C13' 1.512(10) . ?
C13' H13C 0.9700 . ?
C13' H13D 0.9700 . ?
C13' C14' 1.509(10) . ?
C14' H14D 0.9606 . ?
C14' H14E 0.9606 . ?
C14' H14F 0.9606 . ?
C17' H17C 0.9700 . ?
C17' H17D 0.9700 . ?
C17' C18' 1.716(9) . ?
C17' C16 1.515(10) . ?
C18' H18C 0.9700 . ?
C18' H18D 0.9700 . ?
C18' C19' 1.509(11) . ?
C19' H19C 0.9700 . ?
C19' H19D 0.9700 . ?
C19' C20' 1.510(11) . ?
C20' H20D 0.9601 . ?
C20' H20E 0.9601 . ?
C20' H20F 0.9601 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.45(2) . ?
C15 O2 1.403(19) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C16 H16D 0.9700 . ?
C21 C22 1.35(3) . ?
C21 C26 1.38(2) . ?
C22 C23 1.41(3) . ?
C22 F1 1.38(2) . ?
C23 C24 1.35(4) . ?
C23 F2 1.29(3) . ?
C24 C25 1.27(4) . ?
C24 F3 1.34(3) . ?
C25 C26 1.38(3) . ?
C25 F4 1.41(3) . ?
C26 F5 1.33(2) . ?
C27 C28 1.35(3) . ?
C27 C32 1.36(2) . ?
C28 C29 1.41(3) . ?
C28 F6 1.33(2) . ?
C29 C30 1.41(3) . ?
C29 F7 1.30(3) . ?
C30 C31 1.31(3) . ?
C30 F8 1.38(2) . ?
C31 C32 1.37(3) . ?
C31 F9 1.32(2) . ?
C32 F10 1.35(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 Au1 Au2 88.2(5) . . ?
C7 Au1 C27 175.3(8) . . ?
C27 Au1 Au2 94.5(5) . . ?
C8 Au2 Au1 90.7(5) 4_466 . ?
C8 Au2 C21 177.8(7) 4_466 . ?
C21 Au2 Au1 91.5(5) . . ?
C2 C1 C6 123(2) . . ?
N1 C1 C2 117(2) . . ?
N1 C1 C6 121(2) . . ?
C1 C2 C3 117(2) . . ?
C1 C2 O1 117.9(19) . . ?
O1 C2 C3 125(2) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 C2 119(2) . . ?
C4 C3 H3 120.4 . . ?
C3 C4 C5 125(2) . . ?
C3 C4 N2 119(2) . . ?
C5 C4 N2 116(2) . . ?
C4 C5 C6 116(2) . . ?
O2 C5 C4 119(2) . . ?
O2 C5 C6 125(2) . . ?
C1 C6 C5 120(2) . . ?
C1 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
N1 C7 Au1 178.6(17) . . ?
N2 C8 Au2 178(2) . 4_665 ?
H9A C9 H9B 108.8 . . ?
C10 C9 H9A 110.7 . . ?
C10 C9 H9B 110.6 . . ?
O1 C9 H9A 110.7 . . ?
O1 C9 H9B 110.6 . . ?
O1 C9 C10 105(2) . . ?
C9 C10 H10A 108.9 . . ?
C9 C10 H10B 108.9 . . ?
H10A C10 H10B 107.7 . . ?
C11 C10 C9 113(2) . . ?
C11 C10 H10A 108.9 . . ?
C11 C10 H10B 108.9 . . ?
C10 C11 H11A 108.2 . . ?
C10 C11 H11B 108.2 . . ?
C10 C11 H11C 108.1 . . ?
C10 C11 H11D 108.2 . . ?
C10 C11 C12 116(2) . . ?
C10 C11 C12' 117(2) . . ?
H11A C11 H11B 107.4 . . ?
H11C C11 H11D 107.3 . . ?
C12 C11 H11A 108.1 . . ?
C12 C11 H11B 108.3 . . ?
C12' C11 H11C 108.2 . . ?
C12' C11 H11D 108.1 . . ?
C11 C12 H12A 108.9 . . ?
C11 C12 H12B 108.7 . . ?
H12A C12 H12B 107.7 . . ?
C13 C12 C11 113.8(16) . . ?
C13 C12 H12A 108.9 . . ?
C13 C12 H12B 108.6 . . ?
C12 C13 H13A 108.8 . . ?
C12 C13 H13B 108.5 . . ?
H13A C13 H13B 107.6 . . ?
C14 C13 C12 114.4(16) . . ?
C14 C13 H13A 108.9 . . ?
C14 C13 H13B 108.5 . . ?
C13 C14 H14A 109.7 . . ?
C13 C14 H14B 109.2 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
H17A C17 H17B 107.7 . . ?
C18 C17 H17A 109.0 . . ?
C18 C17 H17B 108.8 . . ?
C16 C17 H17A 108.9 . . ?
C16 C17 H17B 108.9 . . ?
C16 C17 C18 113.3(16) . . ?
C17 C18 H18A 108.8 . . ?
C17 C18 H18B 109.0 . . ?
H18A C18 H18B 107.7 . . ?
C19 C18 C17 113.2(16) . . ?
C19 C18 H18A 108.8 . . ?
C19 C18 H18B 109.0 . . ?
C18 C19 H19A 108.8 . . ?
C18 C19 H19B 108.7 . . ?
H19A C19 H19B 107.7 . . ?
C20 C19 C18 113.8(16) . . ?
C20 C19 H19A 108.8 . . ?
C20 C19 H19B 108.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.4 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C11 C12' H12C 108.9 . . ?
C11 C12' H12D 109.0 . . ?
H12C C12' H12D 107.7 . . ?
C13' C12' C11 113.2(16) . . ?
C13' C12' H12C 108.9 . . ?
C13' C12' H12D 109.0 . . ?
C12' C13' H13C 108.6 . . ?
C12' C13' H13D 108.8 . . ?
H13C C13' H13D 107.6 . . ?
C14' C13' C12' 114.2(17) . . ?
C14' C13' H13C 108.8 . . ?
C14' C13' H13D 108.6 . . ?
C13' C14' H14D 109.4 . . ?
C13' C14' H14E 109.6 . . ?
C13' C14' H14F 109.6 . . ?
H14D C14' H14E 109.4 . . ?
H14D C14' H14F 109.4 . . ?
H14E C14' H14F 109.4 . . ?
H17C C17' H17D 109.0 . . ?
C18' C17' H17C 110.8 . . ?
C18' C17' H17D 111.3 . . ?
C16 C17' H17C 111.0 . . ?
C16 C17' H17D 111.1 . . ?
C16 C17' C18' 103.5(13) . . ?
C17' C18' H18C 112.9 . . ?
C17' C18' H18D 112.5 . . ?
H18C C18' H18D 110.1 . . ?
C19' C18' C17' 96(9) . . ?
C19' C18' H18C 112.7 . . ?
C19' C18' H18D 112.4 . . ?
C18' C19' H19C 108.8 . . ?
C18' C19' H19D 108.4 . . ?
C18' C19' C20' 114.1(17) . . ?
H19C C19' H19D 107.6 . . ?
C20' C19' H19C 109.2 . . ?
C20' C19' H19D 108.4 . . ?
C19' C20' H20D 109.6 . . ?
C19' C20' H20E 109.8 . . ?
C19' C20' H20F 109.1 . . ?
H20D C20' H20E 109.5 . . ?
H20D C20' H20F 109.5 . . ?
H20E C20' H20F 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C16 C15 H15A 109.6 . . ?
C16 C15 H15B 109.5 . . ?
O2 C15 H15A 109.6 . . ?
O2 C15 H15B 109.6 . . ?
O2 C15 C16 110.4(17) . . ?
C17 C16 H16A 107.8 . . ?
C17 C16 H16B 107.8 . . ?
C17' C16 H16C 108.3 . . ?
C17' C16 H16D 108.4 . . ?
C15 C16 C17 117.9(17) . . ?
C15 C16 C17' 115.8(18) . . ?
C15 C16 H16A 107.8 . . ?
C15 C16 H16B 107.8 . . ?
C15 C16 H16C 108.4 . . ?
C15 C16 H16D 108.3 . . ?
H16A C16 H16B 107.2 . . ?
H16C C16 H16D 107.4 . . ?
C22 C21 Au2 122.0(17) . . ?
C22 C21 C26 114(2) . . ?
C26 C21 Au2 124.4(17) . . ?
C21 C22 C23 126(3) . . ?
C21 C22 F1 120(2) . . ?
F1 C22 C23 114(3) . . ?
C24 C23 C22 116(3) . . ?
F2 C23 C22 120(4) . . ?
F2 C23 C24 124(4) . . ?
C25 C24 C23 120(3) . . ?
C25 C24 F3 120(4) . . ?
F3 C24 C23 120(4) . . ?
C24 C25 C26 124(3) . . ?
C24 C25 F4 121(3) . . ?
C26 C25 F4 115(3) . . ?
C21 C26 C25 120(2) . . ?
F5 C26 C21 118(2) . . ?
F5 C26 C25 122(2) . . ?
C28 C27 Au1 123.6(17) . . ?
C28 C27 C32 115(2) . . ?
C32 C27 Au1 121.7(18) . . ?
C27 C28 C29 123(3) . . ?
F6 C28 C27 119(2) . . ?
F6 C28 C29 118(3) . . ?
C30 C29 C28 117(3) . . ?
F7 C29 C28 117(3) . . ?
F7 C29 C30 126(3) . . ?
C31 C30 C29 123(2) . . ?
C31 C30 F8 123(3) . . ?
F8 C30 C29 115(3) . . ?
C30 C31 C32 116(2) . . ?
C30 C31 F9 116(2) . . ?
F9 C31 C32 127(3) . . ?
C27 C32 C31 127(2) . . ?
F10 C32 C27 121(2) . . ?
F10 C32 C31 112(2) . . ?
C7 N1 C1 176(2) . . ?
C8 N2 C4 175(2) . . ?
C2 O1 C9 119.0(17) . . ?
C5 O2 C15 120.4(18) . . ?

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
Au1 C27 C28 C29 179.8(18) . . . . ?
Au1 C27 C28 F6 -3(3) . . . . ?
Au1 C27 C32 C31 178.5(16) . . . . ?
Au1 C27 C32 F10 -1(2) . . . . ?
Au2 C21 C22 C23 178(2) . . . . ?
Au2 C21 C22 F1 -1(3) . . . . ?
Au2 C21 C26 C25 -178.4(15) . . . . ?
Au2 C21 C26 F5 3(2) . . . . ?
C1 C2 C3 C4 0(3) . . . . ?
C1 C2 O1 C9 179.4(17) . . . . ?
C2 C1 C6 C5 5(3) . . . . ?
C2 C3 C4 C5 2(3) . . . . ?
C2 C3 C4 N2 179.3(15) . . . . ?
C3 C2 O1 C9 2(3) . . . . ?
C3 C4 C5 C6 -1(3) . . . . ?
C3 C4 C5 O2 176.9(17) . . . . ?
C4 C5 C6 C1 -3(3) . . . . ?
C4 C5 O2 C15 178.1(16) . . . . ?
C6 C1 C2 C3 -4(3) . . . . ?
C6 C1 C2 O1 179.2(17) . . . . ?
C6 C5 O2 C15 -5(3) . . . . ?
C9 C10 C11 C12 166(4) . . . . ?
C9 C10 C11 C12' -165(2) . . . . ?
C10 C9 O1 C2 -176.6(18) . . . . ?
C10 C11 C12 C13 164(4) . . . . ?
C10 C11 C12' C13' -83(5) . . . . ?
C11 C12 C13 C14 -168(6) . . . . ?
C11 C12' C13' C14' -170(7) . . . . ?
C17 C18 C19 C20 50(7) . . . . ?
C18 C17 C16 C15 -165(4) . . . . ?
C17' C18' C19' C20' -79(18) . . . . ?
C18' C17' C16 C15 148(4) . . . . ?
C16 C17 C18 C19 165(5) . . . . ?
C16 C17' C18' C19' 159(5) . . . . ?
C16 C15 O2 C5 172.7(18) . . . . ?
C21 C22 C23 C24 2(4) . . . . ?
C21 C22 C23 F2 -179(2) . . . . ?
C22 C21 C26 C25 0(3) . . . . ?
C22 C21 C26 F5 -178.5(18) . . . . ?
C22 C23 C24 C25 -2(5) . . . . ?
C22 C23 C24 F3 -179(2) . . . . ?
C23 C24 C25 C26 1(5) . . . . ?
C23 C24 C25 F4 -178(2) . . . . ?
C24 C25 C26 C21 0(4) . . . . ?
C24 C25 C26 F5 178(3) . . . . ?
C26 C21 C22 C23 -1(3) . . . . ?
C26 C21 C22 F1 -179.3(18) . . . . ?
C27 C28 C29 C30 0(4) . . . . ?
C27 C28 C29 F7 178(2) . . . . ?
C28 C27 C32 C31 -3(3) . . . . ?
C28 C27 C32 F10 178.3(18) . . . . ?
C28 C29 C30 C31 0(4) . . . . ?
C28 C29 C30 F8 180(2) . . . . ?
C29 C30 C31 C32 -1(4) . . . . ?
C29 C30 C31 F9 -174(2) . . . . ?
C30 C31 C32 C27 3(3) . . . . ?
C30 C31 C32 F10 -178.1(19) . . . . ?
C32 C27 C28 C29 1(3) . . . . ?
C32 C27 C28 F6 177.8(19) . . . . ?
F1 C22 C23 C24 -180(2) . . . . ?
F1 C22 C23 F2 -1(4) . . . . ?
F2 C23 C24 C25 179(3) . . . . ?
F2 C23 C24 F3 2(5) . . . . ?
F3 C24 C25 C26 178.4(19) . . . . ?
F3 C24 C25 F4 -1(4) . . . . ?
F4 C25 C26 C21 179.3(16) . . . . ?
F4 C25 C26 F5 -2(3) . . . . ?
F6 C28 C29 C30 -176(2) . . . . ?
F6 C28 C29 F7 2(4) . . . . ?
F7 C29 C30 C31 -178(3) . . . . ?
F7 C29 C30 F8 2(4) . . . . ?
F8 C30 C31 C32 178.7(18) . . . . ?
F8 C30 C31 F9 6(3) . . . . ?
F9 C31 C32 C27 174.9(19) . . . . ?
F9 C31 C32 F10 -6(3) . . . . ?
N1 C1 C2 C3 -179.1(15) . . . . ?
N1 C1 C2 O1 4(3) . . . . ?
N1 C1 C6 C5 -179.7(15) . . . . ?
N2 C4 C5 C6 -178.1(14) . . . . ?
N2 C4 C5 O2 0(2) . . . . ?
O1 C2 C3 C4 177.2(17) . . . . ?
O1 C9 C10 C11 -168(2) . . . . ?
O2 C5 C6 C1 179.9(18) . . . . ?
O2 C15 C16 C17 -179(4) . . . . ?
O2 C15 C16 C17' 168(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_THETM01_6O                  
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
            Calculated sin(theta_max)/wavelength =    0.5675
RESPONSE: A full set of data was collected, however the very high angle data 
was dominated by noise and was omitted. This arbitrary theta limit is 
inappropriate for highly disordered structure.
;
_vrf_PLAT220_6O                  
;
PROBLEM: Non-Solvent  Resd 1  C   Ueq(max)/Ueq(min) Range        7.9 Ratio
RESPONSE: This is due to the serious disorder in the structure.
Inparticular the disordered side-chains are very dynamic.
;
_vrf_PLAT342_6O                  
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.03762 Ang.
RESPONSE: Moderate data quality in context with gold as heavy atom.
;
_vrf_PLAT780_6O                  
;
PROBLEM: Coordinates do not Form a Properly Connected Set     Please Do !  
RESPONSE: This seems to be a false alarm. 
Or due to the two different parts of dinuclear molecules exist in the asymmetric unit.
;
# end Validation Reply Form
