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

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

data_e
_audit_block_doi                 10.5517/cc141lrj
_database_code_depnum_ccdc_archive 'CCDC 1044227'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/C5DT02035B 2015
_audit_update_record             
;
2015-09-14 deposited with the CCDC.
2015-10-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H24 Au F5 N2 O'
_chemical_formula_sum            'C31 H24 Au F5 N2 O'
_chemical_formula_weight         732.49

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'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  -P1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.6240(11)
_cell_length_b                   13.6244(18)
_cell_length_c                   14.516(2)
_cell_angle_alpha                102.723(2)
_cell_angle_beta                 100.056(2)
_cell_angle_gamma                105.814(2)
_cell_volume                     1370.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    6805
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      30.40

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             712
_exptl_absorpt_coefficient_mu    5.430
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4415
_exptl_absorpt_correction_T_max  0.6127
_exptl_absorpt_process_details   SHELXS-97

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10466
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.49
_diffrn_reflns_theta_max         26.00
_reflns_number_total             5355
_reflns_number_gt                4809
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0819P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5355
_refine_ls_number_parameters     361
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0366
_refine_ls_wR_factor_ref         0.1207
_refine_ls_wR_factor_gt          0.1131
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.07672(3) -0.154709(15) 0.535530(16) 0.05694(12) Uani 1 1 d . . .
C1 C 0.3355(9) 0.1979(5) 0.6855(5) 0.0586(14) Uani 1 1 d . . .
C2 C 0.2897(8) 0.2420(5) 0.7681(5) 0.0596(13) Uani 1 1 d . . .
H2 H 0.2054 0.2000 0.7941 0.071 Uiso 1 1 calc R . .
C3 C 0.3692(8) 0.3487(5) 0.8119(5) 0.0603(14) Uani 1 1 d . . .
H3 H 0.3397 0.3793 0.8685 0.072 Uiso 1 1 calc R . .
C4 C 0.4952(8) 0.4124(4) 0.7722(5) 0.0554(12) Uani 1 1 d . . .
C5 C 0.5442(9) 0.3677(5) 0.6904(5) 0.0622(14) Uani 1 1 d . . .
H5 H 0.6290 0.4099 0.6646 0.075 Uiso 1 1 calc R . .
C6 C 0.4658(8) 0.2589(5) 0.6465(5) 0.0601(13) Uani 1 1 d . . .
H6 H 0.4996 0.2270 0.5918 0.072 Uiso 1 1 calc R . .
C7 C 0.7032(10) 0.5857(5) 0.7902(6) 0.0713(19) Uani 1 1 d . . .
H7A H 0.6575 0.5802 0.7219 0.086 Uiso 1 1 calc R . .
H7B H 0.8151 0.5644 0.7973 0.086 Uiso 1 1 calc R . .
C8 C 0.7498(8) 0.6980(4) 0.8508(5) 0.0601(14) Uani 1 1 d . . .
H8A H 0.7867 0.7013 0.9191 0.072 Uiso 1 1 calc R . .
H8B H 0.6380 0.7192 0.8409 0.072 Uiso 1 1 calc R . .
C9 C 0.9058(8) 0.7755(5) 0.8268(5) 0.0646(16) Uani 1 1 d . . .
H9A H 1.0205 0.7580 0.8426 0.078 Uiso 1 1 calc R . .
H9B H 0.8742 0.7666 0.7571 0.078 Uiso 1 1 calc R . .
C10 C 0.9433(7) 0.8903(4) 0.8795(4) 0.0506(11) Uani 1 1 d . . .
H10A H 0.9766 0.8995 0.9492 0.061 Uiso 1 1 calc R . .
H10B H 0.8285 0.9077 0.8642 0.061 Uiso 1 1 calc R . .
C11 C 1.1003(7) 0.9679(4) 0.8536(4) 0.0503(11) Uani 1 1 d . . .
H11A H 1.0836 0.9482 0.7834 0.060 Uiso 1 1 calc R . .
H11B H 1.0923 1.0390 0.8737 0.060 Uiso 1 1 calc R . .
C12 C 1.2921(6) 0.9681(4) 0.9025(4) 0.0512(11) Uani 1 1 d . . .
H12A H 1.3150 0.9980 0.9723 0.061 Uiso 1 1 calc R . .
H12B H 1.2915 0.8951 0.8911 0.061 Uiso 1 1 calc R . .
C13 C 1.5105(6) 0.9857(4) 0.7905(4) 0.0459(10) Uani 1 1 d . . .
C14 C 1.4526(8) 0.8837(5) 0.7311(5) 0.0558(13) Uani 1 1 d . . .
H14 H 1.3572 0.8301 0.7401 0.067 Uiso 1 1 calc R . .
C15 C 1.5407(9) 0.8635(5) 0.6575(5) 0.0694(16) Uani 1 1 d . . .
H15 H 1.5043 0.7950 0.6159 0.083 Uiso 1 1 calc R . .
C16 C 1.6845(9) 0.9444(6) 0.6445(5) 0.0731(17) Uani 1 1 d . . .
H16 H 1.7406 0.9287 0.5936 0.088 Uiso 1 1 calc R . .
C17 C 1.7443(8) 1.0453(5) 0.7041(5) 0.0625(14) Uani 1 1 d . . .
H17 H 1.8401 1.0980 0.6943 0.075 Uiso 1 1 calc R . .
C18 C 1.6597(7) 1.0690(4) 0.7807(4) 0.0464(11) Uani 1 1 d . . .
C19 C 1.6844(7) 1.1638(4) 0.8566(4) 0.0488(11) Uani 1 1 d . . .
C20 C 1.8084(9) 1.2674(5) 0.8875(5) 0.0659(16) Uani 1 1 d . . .
H20 H 1.9026 1.2878 0.8560 0.079 Uiso 1 1 calc R . .
C21 C 1.7908(10) 1.3393(5) 0.9651(5) 0.0787(19) Uani 1 1 d . . .
H21 H 1.8695 1.4096 0.9841 0.094 Uiso 1 1 calc R . .
C22 C 1.6578(11) 1.3080(5) 1.0145(5) 0.0739(17) Uani 1 1 d . . .
H22 H 1.6511 1.3576 1.0680 0.089 Uiso 1 1 calc R . .
C23 C 1.5351(9) 1.2072(5) 0.9885(4) 0.0626(13) Uani 1 1 d . . .
H23 H 1.4451 1.1875 1.0226 0.075 Uiso 1 1 calc R . .
C24 C 1.5504(6) 1.1354(4) 0.9093(3) 0.0457(10) Uani 1 1 d . . .
C25 C 0.1888(9) -0.0019(5) 0.6013(5) 0.0593(14) Uani 1 1 d . . .
C26 C -0.0389(8) -0.3112(5) 0.4650(4) 0.0522(12) Uani 1 1 d . . .
C27 C -0.1469(11) -0.3860(5) 0.5021(5) 0.0716(17) Uani 1 1 d . . .
C28 C -0.2222(11) -0.4906(5) 0.4528(6) 0.0755(19) Uani 1 1 d . . .
C29 C -0.2012(9) -0.5279(5) 0.3648(6) 0.0650(16) Uani 1 1 d . . .
C30 C -0.0977(9) -0.4590(5) 0.3230(5) 0.0712(17) Uani 1 1 d . . .
C31 C -0.0184(8) -0.3550(5) 0.3745(5) 0.0591(14) Uani 1 1 d . . .
F1 F -0.1798(10) -0.3556(5) 0.5894(4) 0.128(2) Uani 1 1 d . . .
F2 F -0.3332(10) -0.5602(4) 0.4926(5) 0.134(2) Uani 1 1 d . . .
F3 F -0.2853(7) -0.6326(3) 0.3133(5) 0.1091(18) Uani 1 1 d . . .
F4 F -0.0755(7) -0.4935(4) 0.2323(4) 0.1084(16) Uani 1 1 d . . .
F5 F 0.0847(6) -0.2902(4) 0.3311(3) 0.0845(12) Uani 1 1 d . . .
N1 N 0.2554(7) 0.0880(4) 0.6389(4) 0.0617(12) Uani 1 1 d . . .
N2 N 1.4471(6) 1.0277(3) 0.8692(3) 0.0472(9) Uani 1 1 d . . .
O1 O 0.5621(6) 0.5177(3) 0.8215(4) 0.0689(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 C25 1.962(7) . ?
Au1 C26 2.017(6) . ?
C1 C2 1.365(10) . ?
C1 C6 1.397(9) . ?
C1 N1 1.408(8) . ?
C2 C3 1.364(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.403(8) . ?
C3 H3 0.9300 . ?
C4 O1 1.361(7) . ?
C4 C5 1.371(9) . ?
C5 C6 1.389(8) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 O1 1.427(7) . ?
C7 C8 1.498(8) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.507(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.506(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.528(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.509(7) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 N2 1.463(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.369(8) . ?
C13 N2 1.387(7) . ?
C13 C18 1.424(7) . ?
C14 C15 1.374(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.401(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.358(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.400(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.445(8) . ?
C19 C20 1.390(8) . ?
C19 C24 1.402(7) . ?
C20 C21 1.372(9) . ?
C20 H20 0.9300 . ?
C21 C22 1.371(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.361(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.380(8) . ?
C23 H23 0.9300 . ?
C24 N2 1.395(6) . ?
C25 N1 1.151(9) . ?
C26 C31 1.372(9) . ?
C26 C27 1.395(9) . ?
C27 F1 1.333(8) . ?
C27 C28 1.355(9) . ?
C28 C29 1.321(12) . ?
C28 F2 1.387(8) . ?
C29 F3 1.367(7) . ?
C29 C30 1.374(11) . ?
C30 F4 1.353(8) . ?
C30 C31 1.356(9) . ?
C31 F5 1.354(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C25 Au1 C26 178.7(2) . . ?
C2 C1 C6 121.5(6) . . ?
C2 C1 N1 120.2(6) . . ?
C6 C1 N1 118.2(6) . . ?
C3 C2 C1 119.2(6) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 120.5(6) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
O1 C4 C5 124.8(5) . . ?
O1 C4 C3 114.9(5) . . ?
C5 C4 C3 120.3(6) . . ?
C4 C5 C6 119.3(6) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C1 119.1(6) . . ?
C5 C6 H6 120.4 . . ?
C1 C6 H6 120.4 . . ?
O1 C7 C8 109.1(5) . . ?
O1 C7 H7A 109.9 . . ?
C8 C7 H7A 109.9 . . ?
O1 C7 H7B 109.9 . . ?
C8 C7 H7B 109.9 . . ?
H7A C7 H7B 108.3 . . ?
C7 C8 C9 113.1(5) . . ?
C7 C8 H8A 109.0 . . ?
C9 C8 H8A 109.0 . . ?
C7 C8 H8B 109.0 . . ?
C9 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
C10 C9 C8 114.4(5) . . ?
C10 C9 H9A 108.7 . . ?
C8 C9 H9A 108.7 . . ?
C10 C9 H9B 108.7 . . ?
C8 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C9 C10 C11 113.7(4) . . ?
C9 C10 H10A 108.8 . . ?
C11 C10 H10A 108.8 . . ?
C9 C10 H10B 108.8 . . ?
C11 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
C12 C11 C10 111.5(4) . . ?
C12 C11 H11A 109.3 . . ?
C10 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C10 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
N2 C12 C11 114.4(4) . . ?
N2 C12 H12A 108.7 . . ?
C11 C12 H12A 108.7 . . ?
N2 C12 H12B 108.7 . . ?
C11 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C14 C13 N2 129.5(5) . . ?
C14 C13 C18 122.8(5) . . ?
N2 C13 C18 107.6(4) . . ?
C13 C14 C15 117.5(5) . . ?
C13 C14 H14 121.3 . . ?
C15 C14 H14 121.3 . . ?
C14 C15 C16 121.0(6) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C17 C16 C15 121.7(6) . . ?
C17 C16 H16 119.1 . . ?
C15 C16 H16 119.1 . . ?
C16 C17 C18 119.1(5) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 H17 120.5 . . ?
C17 C18 C13 117.8(5) . . ?
C17 C18 C19 134.7(5) . . ?
C13 C18 C19 107.4(4) . . ?
C20 C19 C24 118.2(5) . . ?
C20 C19 C18 135.2(5) . . ?
C24 C19 C18 106.6(4) . . ?
C21 C20 C19 119.5(6) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C22 C21 C20 120.2(6) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 122.7(6) . . ?
C23 C22 H22 118.6 . . ?
C21 C22 H22 118.6 . . ?
C22 C23 C24 117.0(5) . . ?
C22 C23 H23 121.5 . . ?
C24 C23 H23 121.5 . . ?
C23 C24 N2 128.7(5) . . ?
C23 C24 C19 122.3(5) . . ?
N2 C24 C19 109.0(4) . . ?
N1 C25 Au1 179.1(6) . . ?
C31 C26 C27 112.9(6) . . ?
C31 C26 Au1 122.9(5) . . ?
C27 C26 Au1 124.2(5) . . ?
F1 C27 C28 117.3(6) . . ?
F1 C27 C26 120.1(6) . . ?
C28 C27 C26 122.7(6) . . ?
C29 C28 C27 121.7(6) . . ?
C29 C28 F2 118.5(6) . . ?
C27 C28 F2 119.7(7) . . ?
C28 C29 F3 121.5(7) . . ?
C28 C29 C30 119.1(6) . . ?
F3 C29 C30 119.4(7) . . ?
F4 C30 C31 120.5(7) . . ?
F4 C30 C29 121.0(6) . . ?
C31 C30 C29 118.5(6) . . ?
F5 C31 C30 116.5(6) . . ?
F5 C31 C26 118.4(6) . . ?
C30 C31 C26 125.1(6) . . ?
C25 N1 C1 179.4(8) . . ?
C13 N2 C24 109.4(4) . . ?
C13 N2 C12 124.7(4) . . ?
C24 N2 C12 125.8(4) . . ?
C4 O1 C7 117.8(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
C6 C1 C2 C3 1.8(9) . . . . ?
N1 C1 C2 C3 180.0(6) . . . . ?
C1 C2 C3 C4 0.6(10) . . . . ?
C2 C3 C4 O1 178.9(6) . . . . ?
C2 C3 C4 C5 -1.9(10) . . . . ?
O1 C4 C5 C6 -180.0(6) . . . . ?
C3 C4 C5 C6 0.9(10) . . . . ?
C4 C5 C6 C1 1.4(10) . . . . ?
C2 C1 C6 C5 -2.8(9) . . . . ?
N1 C1 C6 C5 178.9(6) . . . . ?
O1 C7 C8 C9 176.8(6) . . . . ?
C7 C8 C9 C10 174.4(6) . . . . ?
C8 C9 C10 C11 -179.4(5) . . . . ?
C9 C10 C11 C12 -75.9(6) . . . . ?
C10 C11 C12 N2 170.9(4) . . . . ?
N2 C13 C14 C15 -180.0(5) . . . . ?
C18 C13 C14 C15 -1.9(8) . . . . ?
C13 C14 C15 C16 0.1(10) . . . . ?
C14 C15 C16 C17 0.8(11) . . . . ?
C15 C16 C17 C18 -0.1(11) . . . . ?
C16 C17 C18 C13 -1.6(9) . . . . ?
C16 C17 C18 C19 -179.9(6) . . . . ?
C14 C13 C18 C17 2.7(8) . . . . ?
N2 C13 C18 C17 -178.9(5) . . . . ?
C14 C13 C18 C19 -178.6(5) . . . . ?
N2 C13 C18 C19 -0.2(6) . . . . ?
C17 C18 C19 C20 -4.7(12) . . . . ?
C13 C18 C19 C20 176.9(7) . . . . ?
C17 C18 C19 C24 178.3(6) . . . . ?
C13 C18 C19 C24 -0.2(6) . . . . ?
C24 C19 C20 C21 -3.0(10) . . . . ?
C18 C19 C20 C21 -179.7(7) . . . . ?
C19 C20 C21 C22 3.1(12) . . . . ?
C20 C21 C22 C23 -1.9(12) . . . . ?
C21 C22 C23 C24 0.5(11) . . . . ?
C22 C23 C24 N2 178.2(6) . . . . ?
C22 C23 C24 C19 -0.5(9) . . . . ?
C20 C19 C24 C23 1.7(8) . . . . ?
C18 C19 C24 C23 179.3(5) . . . . ?
C20 C19 C24 N2 -177.2(5) . . . . ?
C18 C19 C24 N2 0.4(6) . . . . ?
C26 Au1 C25 N1 -24(46) . . . . ?
C25 Au1 C26 C31 29(9) . . . . ?
C25 Au1 C26 C27 -152(9) . . . . ?
C31 C26 C27 F1 -179.9(7) . . . . ?
Au1 C26 C27 F1 0.2(11) . . . . ?
C31 C26 C27 C28 0.0(11) . . . . ?
Au1 C26 C27 C28 -179.9(6) . . . . ?
F1 C27 C28 C29 178.3(8) . . . . ?
C26 C27 C28 C29 -1.6(13) . . . . ?
F1 C27 C28 F2 2.0(12) . . . . ?
C26 C27 C28 F2 -177.9(7) . . . . ?
C27 C28 C29 F3 -176.7(7) . . . . ?
F2 C28 C29 F3 -0.3(11) . . . . ?
C27 C28 C29 C30 1.0(12) . . . . ?
F2 C28 C29 C30 177.4(7) . . . . ?
C28 C29 C30 F4 -178.8(7) . . . . ?
F3 C29 C30 F4 -1.1(10) . . . . ?
C28 C29 C30 C31 1.0(10) . . . . ?
F3 C29 C30 C31 178.7(6) . . . . ?
F4 C30 C31 F5 -1.2(9) . . . . ?
C29 C30 C31 F5 179.0(6) . . . . ?
F4 C30 C31 C26 177.1(6) . . . . ?
C29 C30 C31 C26 -2.7(10) . . . . ?
C27 C26 C31 F5 -179.6(6) . . . . ?
Au1 C26 C31 F5 0.3(8) . . . . ?
C27 C26 C31 C30 2.1(10) . . . . ?
Au1 C26 C31 C30 -178.0(5) . . . . ?
Au1 C25 N1 C1 156(58) . . . . ?
C2 C1 N1 C25 10(78) . . . . ?
C6 C1 N1 C25 -171(100) . . . . ?
C14 C13 N2 C24 178.7(5) . . . . ?
C18 C13 N2 C24 0.4(6) . . . . ?
C14 C13 N2 C12 -2.8(8) . . . . ?
C18 C13 N2 C12 178.9(4) . . . . ?
C23 C24 N2 C13 -179.4(5) . . . . ?
C19 C24 N2 C13 -0.6(6) . . . . ?
C23 C24 N2 C12 2.2(9) . . . . ?
C19 C24 N2 C12 -179.0(4) . . . . ?
C11 C12 N2 C13 -88.3(6) . . . . ?
C11 C12 N2 C24 89.9(6) . . . . ?
C5 C4 O1 C7 -4.5(10) . . . . ?
C3 C4 O1 C7 174.7(6) . . . . ?
C8 C7 O1 C4 177.3(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.851
_refine_diff_density_min         -1.692
_refine_diff_density_rms         0.171
####################################################################### 
# 
# 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_mo_140722f_0m
_database_code_depnum_ccdc_archive 'CCDC 1423615'
_audit_update_record             
;
2015-09-11 deposited with the CCDC.
2015-10-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H22 Au F5 N2 O'
_chemical_formula_weight         718.46

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   18.208(4)
_cell_length_b                   17.298(3)
_cell_length_c                   16.458(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.525(3)
_cell_angle_gamma                90.00
_cell_volume                     5112.1(17)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    8920
_cell_measurement_theta_min      2.17
_cell_measurement_theta_max      31.19

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.867
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2784
_exptl_absorpt_coefficient_mu    5.820
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.3890
_exptl_absorpt_correction_T_max  0.5938
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15351
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.63
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4454
_reflns_number_gt                3548
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1015P)²+97.5493P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4454
_refine_ls_number_parameters     352
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0810
_refine_ls_R_factor_gt           0.0610
_refine_ls_wR_factor_ref         0.1871
_refine_ls_wR_factor_gt          0.1676
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.41349(3) 1.05782(3) 0.72363(3) 0.0476(2) Uani 1 1 d . . .
C1 C 0.3868(6) 1.1408(6) 0.7986(8) 0.046(3) Uani 1 1 d . . .
C2 C 0.3634(7) 1.1246(7) 0.8744(7) 0.044(3) Uani 1 1 d . . .
C3 C 0.3489(7) 1.1793(8) 0.9305(8) 0.054(3) Uani 1 1 d . . .
C4 C 0.3587(7) 1.2547(8) 0.9122(8) 0.053(3) Uani 1 1 d . . .
C5 C 0.3835(7) 1.2761(7) 0.8408(8) 0.051(3) Uani 1 1 d . . .
C6 C 0.3950(7) 1.2197(7) 0.7872(7) 0.047(3) Uani 1 1 d . . .
C7 C 0.4463(8) 0.9741(7) 0.6571(9) 0.057(3) Uani 1 1 d . . .
C8 C 0.5021(7) 0.8647(7) 0.5826(8) 0.048(3) Uani 1 1 d . . .
C9 C 0.5005(7) 0.7916(7) 0.6103(8) 0.052(3) Uani 1 1 d . . .
H9 H 0.4821 0.7819 0.6587 0.063 Uiso 1 1 calc R . .
C10 C 0.5260(8) 0.7305(7) 0.5677(8) 0.057(3) Uani 1 1 d . . .
H10 H 0.5232 0.6798 0.5858 0.068 Uiso 1 1 calc R . .
C11 C 0.5556(7) 0.7470(7) 0.4980(7) 0.046(3) Uani 1 1 d . . .
C12 C 0.5592(8) 0.8225(7) 0.4706(8) 0.055(3) Uani 1 1 d . . .
H12 H 0.5798 0.8332 0.4238 0.066 Uiso 1 1 calc R . .
C13 C 0.5317(7) 0.8824(7) 0.5138(7) 0.049(3) Uani 1 1 d . . .
H13 H 0.5334 0.9333 0.4961 0.059 Uiso 1 1 calc R . .
C14 C 0.5630(8) 0.6127(7) 0.4600(8) 0.053(3) Uani 1 1 d . . .
H14A H 0.5101 0.6067 0.4605 0.064 Uiso 1 1 calc R . .
H14B H 0.5904 0.5926 0.5112 0.064 Uiso 1 1 calc R . .
C15 C 0.5851(8) 0.5718(7) 0.3874(9) 0.055(3) Uani 1 1 d . . .
H15A H 0.6381 0.5783 0.3880 0.066 Uiso 1 1 calc R . .
H15B H 0.5589 0.5943 0.3368 0.066 Uiso 1 1 calc R . .
C16 C 0.5667(8) 0.4855(7) 0.3896(8) 0.058(3) Uani 1 1 d . . .
H16A H 0.5138 0.4795 0.3897 0.070 Uiso 1 1 calc R . .
H16B H 0.5930 0.4634 0.4404 0.070 Uiso 1 1 calc R . .
C17 C 0.5879(7) 0.4408(8) 0.3163(9) 0.058(3) Uani 1 1 d . . .
H17A H 0.5646 0.3903 0.3137 0.070 Uiso 1 1 calc R . .
H17B H 0.5684 0.4681 0.2658 0.070 Uiso 1 1 calc R . .
C18 C 0.6699(7) 0.4309(7) 0.3214(8) 0.052(3) Uani 1 1 d . . .
H18A H 0.6930 0.4814 0.3210 0.063 Uiso 1 1 calc R . .
H18B H 0.6899 0.4060 0.3731 0.063 Uiso 1 1 calc R . .
C19 C 0.7108(6) 0.4121(7) 0.1825(6) 0.042(3) Uani 1 1 d . . .
C20 C 0.7129(7) 0.4876(7) 0.1541(9) 0.056(3) Uani 1 1 d . . .
H20 H 0.6971 0.5289 0.1829 0.067 Uiso 1 1 calc R . .
C21 C 0.7396(9) 0.4985(9) 0.0812(11) 0.079(5) Uani 1 1 d . . .
H21 H 0.7437 0.5485 0.0618 0.095 Uiso 1 1 calc R . .
C22 C 0.7611(9) 0.4354(8) 0.0347(9) 0.065(4) Uani 1 1 d . . .
H22 H 0.7793 0.4442 -0.0141 0.078 Uiso 1 1 calc R . .
C23 C 0.7547(8) 0.3623(8) 0.0624(8) 0.056(3) Uani 1 1 d . . .
H23 H 0.7688 0.3209 0.0325 0.068 Uiso 1 1 calc R . .
C24 C 0.7269(6) 0.3486(6) 0.1357(7) 0.041(3) Uani 1 1 d . . .
C25 C 0.7141(6) 0.2799(6) 0.1793(6) 0.042(3) Uani 1 1 d . . .
C26 C 0.7189(8) 0.2001(7) 0.1647(8) 0.059(3) Uani 1 1 d . . .
H26 H 0.7339 0.1827 0.1166 0.071 Uiso 1 1 calc R . .
C27 C 0.7016(8) 0.1488(7) 0.2206(8) 0.060(4) Uani 1 1 d . . .
H27 H 0.7045 0.0960 0.2107 0.072 Uiso 1 1 calc R . .
C28 C 0.6796(8) 0.1748(8) 0.2929(10) 0.069(4) Uani 1 1 d . . .
H28 H 0.6668 0.1387 0.3300 0.083 Uiso 1 1 calc R . .
C29 C 0.6762(8) 0.2517(8) 0.3110(9) 0.059(3) Uani 1 1 d . . .
H29 H 0.6641 0.2682 0.3609 0.071 Uiso 1 1 calc R . .
C30 C 0.6911(6) 0.3030(6) 0.2537(7) 0.042(3) Uani 1 1 d . . .
F1 F 0.3538(5) 1.0486(4) 0.8945(6) 0.072(2) Uani 1 1 d . . .
F2 F 0.3243(5) 1.1595(6) 0.9987(5) 0.082(3) Uani 1 1 d . . .
F3 F 0.3444(5) 1.3107(5) 0.9650(5) 0.083(3) Uani 1 1 d . . .
F4 F 0.3934(5) 1.3517(4) 0.8232(6) 0.079(2) Uani 1 1 d . . .
F5 F 0.4187(5) 1.2421(5) 0.7173(4) 0.073(2) Uani 1 1 d . . .
N1 N 0.6891(5) 0.3847(5) 0.2530(6) 0.046(2) Uani 1 1 d . . .
N3 N 0.4716(6) 0.9266(6) 0.6220(6) 0.052(3) Uani 1 1 d . . .
O1 O 0.5815(6) 0.6937(5) 0.4493(6) 0.063(2) 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 C7 1.967(12) . ?
Au1 C1 2.004(11) . ?
Au1 Au1 3.1262(11) 2_656 ?
C1 C6 1.390(16) . ?
C1 C2 1.412(17) . ?
C2 F1 1.374(13) . ?
C2 C3 1.378(18) . ?
C3 F2 1.320(15) . ?
C3 C4 1.357(19) . ?
C4 F3 1.355(14) . ?
C4 C5 1.378(18) . ?
C5 C6 1.355(17) . ?
C5 F4 1.358(14) . ?
C6 F5 1.351(13) . ?
C7 N3 1.144(15) . ?
C8 C9 1.346(18) . ?
C8 C13 1.366(17) . ?
C8 N3 1.413(15) . ?
C9 C10 1.391(17) . ?
C9 H9 0.9300 . ?
C10 C11 1.375(17) . ?
C10 H10 0.9300 . ?
C11 O1 1.357(14) . ?
C11 C12 1.387(17) . ?
C12 C13 1.395(17) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 O1 1.458(15) . ?
C14 C15 1.501(17) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.531(17) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.535(18) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.491(18) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 N1 1.470(14) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 N1 1.369(15) . ?
C19 C20 1.389(17) . ?
C19 C24 1.400(15) . ?
C20 C21 1.38(2) . ?
C20 H20 0.9300 . ?
C21 C22 1.42(2) . ?
C21 H21 0.9300 . ?
C22 C23 1.355(18) . ?
C22 H22 0.9300 . ?
C23 C24 1.404(17) . ?
C23 H23 0.9300 . ?
C24 C25 1.428(16) . ?
C25 C26 1.406(16) . ?
C25 C30 1.414(15) . ?
C26 C27 1.353(19) . ?
C26 H26 0.9300 . ?
C27 C28 1.39(2) . ?
C27 H27 0.9300 . ?
C28 C29 1.367(19) . ?
C28 H28 0.9300 . ?
C29 C30 1.355(18) . ?
C29 H29 0.9300 . ?
C30 N1 1.413(15) . ?

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 175.4(5) . . ?
C7 Au1 Au1 76.7(4) . 2_656 ?
C1 Au1 Au1 99.5(3) . 2_656 ?
C6 C1 C2 111.7(10) . . ?
C6 C1 Au1 125.3(10) . . ?
C2 C1 Au1 122.8(8) . . ?
F1 C2 C3 116.8(11) . . ?
F1 C2 C1 118.1(10) . . ?
C3 C2 C1 125.1(11) . . ?
F2 C3 C4 120.9(12) . . ?
F2 C3 C2 121.4(12) . . ?
C4 C3 C2 117.7(12) . . ?
F3 C4 C3 119.9(12) . . ?
F3 C4 C5 118.7(12) . . ?
C3 C4 C5 121.4(11) . . ?
C6 C5 F4 121.0(12) . . ?
C6 C5 C4 118.0(11) . . ?
F4 C5 C4 120.9(11) . . ?
F5 C6 C5 117.0(11) . . ?
F5 C6 C1 117.0(11) . . ?
C5 C6 C1 126.0(12) . . ?
N3 C7 Au1 173.9(12) . . ?
C9 C8 C13 121.6(11) . . ?
C9 C8 N3 121.6(12) . . ?
C13 C8 N3 116.8(11) . . ?
C8 C9 C10 121.0(12) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 H9 119.5 . . ?
C11 C10 C9 118.2(11) . . ?
C11 C10 H10 120.9 . . ?
C9 C10 H10 120.9 . . ?
O1 C11 C10 125.0(11) . . ?
O1 C11 C12 114.1(10) . . ?
C10 C11 C12 120.8(11) . . ?
C11 C12 C13 119.6(11) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C8 C13 C12 118.7(11) . . ?
C8 C13 H13 120.7 . . ?
C12 C13 H13 120.7 . . ?
O1 C14 C15 105.0(10) . . ?
O1 C14 H14A 110.8 . . ?
C15 C14 H14A 110.8 . . ?
O1 C14 H14B 110.8 . . ?
C15 C14 H14B 110.8 . . ?
H14A C14 H14B 108.8 . . ?
C14 C15 C16 110.6(11) . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C15 C16 C17 112.8(11) . . ?
C15 C16 H16A 109.0 . . ?
C17 C16 H16A 109.0 . . ?
C15 C16 H16B 109.0 . . ?
C17 C16 H16B 109.0 . . ?
H16A C16 H16B 107.8 . . ?
C18 C17 C16 113.2(11) . . ?
C18 C17 H17A 108.9 . . ?
C16 C17 H17A 108.9 . . ?
C18 C17 H17B 108.9 . . ?
C16 C17 H17B 108.9 . . ?
H17A C17 H17B 107.8 . . ?
N1 C18 C17 112.5(10) . . ?
N1 C18 H18A 109.1 . . ?
C17 C18 H18A 109.1 . . ?
N1 C18 H18B 109.1 . . ?
C17 C18 H18B 109.1 . . ?
H18A C18 H18B 107.8 . . ?
N1 C19 C20 129.7(11) . . ?
N1 C19 C24 108.1(10) . . ?
C20 C19 C24 122.1(11) . . ?
C21 C20 C19 117.1(13) . . ?
C21 C20 H20 121.5 . . ?
C19 C20 H20 121.5 . . ?
C20 C21 C22 122.0(13) . . ?
C20 C21 H21 119.0 . . ?
C22 C21 H21 119.0 . . ?
C23 C22 C21 119.1(14) . . ?
C23 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
C22 C23 C24 120.7(13) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C19 C24 C23 118.6(11) . . ?
C19 C24 C25 108.0(10) . . ?
C23 C24 C25 133.3(11) . . ?
C26 C25 C30 117.5(11) . . ?
C26 C25 C24 135.3(11) . . ?
C30 C25 C24 107.2(10) . . ?
C27 C26 C25 120.0(12) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 120.1(12) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C29 C28 C27 122.1(14) . . ?
C29 C28 H28 119.0 . . ?
C27 C28 H28 119.0 . . ?
C30 C29 C28 117.6(13) . . ?
C30 C29 H29 121.2 . . ?
C28 C29 H29 121.2 . . ?
C29 C30 N1 130.7(11) . . ?
C29 C30 C25 122.6(11) . . ?
N1 C30 C25 106.7(10) . . ?
C19 N1 C30 110.0(9) . . ?
C19 N1 C18 126.8(10) . . ?
C30 N1 C18 123.2(10) . . ?
C7 N3 C8 176.5(14) . . ?
C11 O1 C14 118.1(9) . . ?

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
C7 Au1 C1 C6 110(7) . . . . ?
Au1 Au1 C1 C6 76.9(10) 2_656 . . . ?
C7 Au1 C1 C2 -64(7) . . . . ?
Au1 Au1 C1 C2 -97.2(9) 2_656 . . . ?
C6 C1 C2 F1 -179.3(10) . . . . ?
Au1 C1 C2 F1 -4.6(15) . . . . ?
C6 C1 C2 C3 1.0(17) . . . . ?
Au1 C1 C2 C3 175.8(10) . . . . ?
F1 C2 C3 F2 -2.3(18) . . . . ?
C1 C2 C3 F2 177.3(11) . . . . ?
F1 C2 C3 C4 179.4(11) . . . . ?
C1 C2 C3 C4 -0.9(19) . . . . ?
F2 C3 C4 F3 1(2) . . . . ?
C2 C3 C4 F3 179.3(11) . . . . ?
F2 C3 C4 C5 -179.3(12) . . . . ?
C2 C3 C4 C5 -1(2) . . . . ?
F3 C4 C5 C6 -177.7(11) . . . . ?
C3 C4 C5 C6 3(2) . . . . ?
F3 C4 C5 F4 -0.1(19) . . . . ?
C3 C4 C5 F4 -179.8(12) . . . . ?
F4 C5 C6 F5 1.9(18) . . . . ?
C4 C5 C6 F5 179.5(11) . . . . ?
F4 C5 C6 C1 179.8(11) . . . . ?
C4 C5 C6 C1 -3(2) . . . . ?
C2 C1 C6 F5 178.7(10) . . . . ?
Au1 C1 C6 F5 4.1(16) . . . . ?
C2 C1 C6 C5 0.8(18) . . . . ?
Au1 C1 C6 C5 -173.8(10) . . . . ?
C1 Au1 C7 N3 -30(18) . . . . ?
Au1 Au1 C7 N3 4(13) 2_656 . . . ?
C13 C8 C9 C10 -3(2) . . . . ?
N3 C8 C9 C10 175.5(12) . . . . ?
C8 C9 C10 C11 2(2) . . . . ?
C9 C10 C11 O1 -178.8(12) . . . . ?
C9 C10 C11 C12 -1(2) . . . . ?
O1 C11 C12 C13 177.6(11) . . . . ?
C10 C11 C12 C13 -1(2) . . . . ?
C9 C8 C13 C12 1.5(19) . . . . ?
N3 C8 C13 C12 -177.0(11) . . . . ?
C11 C12 C13 C8 0(2) . . . . ?
O1 C14 C15 C16 -178.6(11) . . . . ?
C14 C15 C16 C17 179.7(12) . . . . ?
C15 C16 C17 C18 72.1(16) . . . . ?
C16 C17 C18 N1 177.1(11) . . . . ?
N1 C19 C20 C21 178.1(12) . . . . ?
C24 C19 C20 C21 -6.9(18) . . . . ?
C19 C20 C21 C22 3(2) . . . . ?
C20 C21 C22 C23 1(2) . . . . ?
C21 C22 C23 C24 0(2) . . . . ?
N1 C19 C24 C23 -176.3(10) . . . . ?
C20 C19 C24 C23 7.8(17) . . . . ?
N1 C19 C24 C25 0.3(12) . . . . ?
C20 C19 C24 C25 -175.6(10) . . . . ?
C22 C23 C24 C19 -4.3(19) . . . . ?
C22 C23 C24 C25 -179.9(13) . . . . ?
C19 C24 C25 C26 178.8(14) . . . . ?
C23 C24 C25 C26 -5(2) . . . . ?
C19 C24 C25 C30 -0.9(12) . . . . ?
C23 C24 C25 C30 175.0(12) . . . . ?
C30 C25 C26 C27 0.2(19) . . . . ?
C24 C25 C26 C27 -179.5(13) . . . . ?
C25 C26 C27 C28 0(2) . . . . ?
C26 C27 C28 C29 -2(2) . . . . ?
C27 C28 C29 C30 4(2) . . . . ?
C28 C29 C30 N1 177.0(12) . . . . ?
C28 C29 C30 C25 -3.9(19) . . . . ?
C26 C25 C30 C29 2.1(18) . . . . ?
C24 C25 C30 C29 -178.2(11) . . . . ?
C26 C25 C30 N1 -178.7(10) . . . . ?
C24 C25 C30 N1 1.1(12) . . . . ?
C20 C19 N1 C30 175.8(11) . . . . ?
C24 C19 N1 C30 0.3(13) . . . . ?
C20 C19 N1 C18 -7.1(19) . . . . ?
C24 C19 N1 C18 177.4(10) . . . . ?
C29 C30 N1 C19 178.3(12) . . . . ?
C25 C30 N1 C19 -0.9(13) . . . . ?
C29 C30 N1 C18 1(2) . . . . ?
C25 C30 N1 C18 -178.1(10) . . . . ?
C17 C18 N1 C19 98.5(15) . . . . ?
C17 C18 N1 C30 -84.8(15) . . . . ?
Au1 C7 N3 C8 90(25) . . . . ?
C9 C8 N3 C7 6(22) . . . . ?
C13 C8 N3 C7 -176(100) . . . . ?
C10 C11 O1 C14 13.8(19) . . . . ?
C12 C11 O1 C14 -164.5(11) . . . . ?
C15 C14 O1 C11 168.5(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         2.116
_refine_diff_density_min         -1.248
_refine_diff_density_rms         0.213
####################################################################### 
# 
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1425339'
_audit_update_record             
;
2015-09-17 deposited with the CCDC.
2015-10-27 downloaded from the CCDC.
;



_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54.50 H33 Au2 Cl F10 N4 O2'
_chemical_formula_weight         1395.23

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   28.924(4)
_cell_length_b                   8.5750(11)
_cell_length_c                   40.421(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.003(2)
_cell_angle_gamma                90.00
_cell_volume                     9806(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    7677
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      22.65

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.890
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5352
_exptl_absorpt_coefficient_mu    6.117
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.5272
_exptl_absorpt_correction_T_max  0.5798
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35964
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0468
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         1.03
_diffrn_reflns_theta_max         25.98
_reflns_number_total             9571
_reflns_number_gt                6405
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0891P)²+42.1566P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.000025(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         9571
_refine_ls_number_parameters     668
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0523
_refine_ls_wR_factor_ref         0.1718
_refine_ls_wR_factor_gt          0.1456
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.382953(17) 0.11648(5) 0.074544(10) 0.07383(18) Uani 1 1 d . . .
Au2 Au 0.364116(15) 0.40102(5) 0.129085(9) 0.06785(17) Uani 1 1 d . . .
C1 C 0.3660(3) -0.0199(10) 0.1116(2) 0.057(2) Uani 1 1 d . . .
C2 C 0.3197(4) -0.0464(14) 0.1133(3) 0.083(3) Uani 1 1 d . . .
C3 C 0.3987(4) -0.0915(12) 0.1364(2) 0.068(3) Uani 1 1 d . . .
C4 C 0.3870(5) -0.1848(13) 0.1601(2) 0.074(3) Uani 1 1 d . . .
C5 C 0.3424(6) -0.2053(14) 0.1615(3) 0.089(4) Uani 1 1 d . . .
C6 C 0.3074(4) -0.1402(16) 0.1388(3) 0.088(4) Uani 1 1 d . . .
C7 C 0.3952(4) 0.2414(13) 0.0370(3) 0.083(3) Uani 1 1 d . . .
C8 C 0.3962(5) 0.3978(11) -0.0171(2) 0.075(3) Uani 1 1 d . . .
C9 C 0.3544(5) 0.4656(15) -0.0326(3) 0.085(3) Uani 1 1 d . . .
H9 H 0.3276 0.4528 -0.0235 0.101 Uiso 1 1 calc R . .
C10 C 0.3522(4) 0.5514(14) -0.0611(3) 0.080(3) Uani 1 1 d . . .
H10 H 0.3236 0.5941 -0.0722 0.096 Uiso 1 1 calc R . .
C11 C 0.3931(4) 0.5749(11) -0.0734(2) 0.061(2) Uani 1 1 d . . .
C12 C 0.4343(4) 0.5078(12) -0.0582(2) 0.072(3) Uani 1 1 d . . .
H12 H 0.4609 0.5215 -0.0674 0.086 Uiso 1 1 calc R . .
C13 C 0.4378(5) 0.4207(12) -0.0297(3) 0.078(3) Uani 1 1 d . . .
H13 H 0.4665 0.3778 -0.0188 0.093 Uiso 1 1 calc R . .
C14 C 0.3535(4) 0.7360(12) -0.1190(2) 0.068(3) Uani 1 1 d . . .
H14A H 0.3411 0.7999 -0.1030 0.082 Uiso 1 1 calc R . .
H14B H 0.3296 0.6603 -0.1287 0.082 Uiso 1 1 calc R . .
C15 C 0.3661(4) 0.8353(11) -0.1461(2) 0.070(3) Uani 1 1 d . . .
H15A H 0.3397 0.9037 -0.1550 0.084 Uiso 1 1 calc R . .
H15B H 0.3929 0.9001 -0.1363 0.084 Uiso 1 1 calc R . .
C16 C 0.4226(3) 0.6985(10) -0.1757(2) 0.055(2) Uani 1 1 d . . .
C17 C 0.4653(4) 0.7318(12) -0.1529(3) 0.079(3) Uani 1 1 d . . .
H17 H 0.4662 0.7883 -0.1331 0.094 Uiso 1 1 calc R . .
C18 C 0.5054(5) 0.6756(18) -0.1616(4) 0.109(5) Uani 1 1 d . . .
H18 H 0.5344 0.6975 -0.1475 0.131 Uiso 1 1 calc R . .
C19 C 0.5050(5) 0.5897(16) -0.1898(4) 0.101(4) Uani 1 1 d . . .
H19 H 0.5332 0.5502 -0.1939 0.121 Uiso 1 1 calc R . .
C20 C 0.4627(5) 0.5594(14) -0.2130(3) 0.090(4) Uani 1 1 d . . .
H20 H 0.4630 0.5048 -0.2328 0.108 Uiso 1 1 calc R . .
C21 C 0.4201(4) 0.6124(10) -0.2059(2) 0.062(2) Uani 1 1 d . . .
C22 C 0.3707(4) 0.6058(10) -0.2225(2) 0.063(2) Uani 1 1 d . . .
C23 C 0.3476(6) 0.5392(16) -0.2523(3) 0.101(4) Uani 1 1 d . . .
H23 H 0.3637 0.4784 -0.2652 0.121 Uiso 1 1 calc R . .
C24 C 0.2999(8) 0.566(2) -0.2623(4) 0.137(7) Uani 1 1 d . . .
H24 H 0.2841 0.5274 -0.2831 0.164 Uiso 1 1 calc R . .
C25 C 0.2751(6) 0.646(2) -0.2426(4) 0.127(6) Uani 1 1 d . . .
H25 H 0.2427 0.6587 -0.2501 0.152 Uiso 1 1 calc R . .
C26 C 0.2976(4) 0.7127(15) -0.2103(3) 0.087(3) Uani 1 1 d . . .
H26 H 0.2812 0.7654 -0.1963 0.104 Uiso 1 1 calc R . .
C27 C 0.3463(3) 0.6897(10) -0.2024(2) 0.054(2) Uani 1 1 d . . .
C28 C 0.3595(4) 0.5439(12) 0.0895(2) 0.073(3) Uani 1 1 d . . .
C29 C 0.3165(5) 0.6132(14) 0.0747(3) 0.087(4) Uani 1 1 d . . .
C30 C 0.3090(5) 0.7135(16) 0.0464(3) 0.095(4) Uani 1 1 d . . .
C31 C 0.3494(8) 0.7443(17) 0.0332(3) 0.123(7) Uani 1 1 d . . .
C32 C 0.3910(6) 0.6827(16) 0.0472(3) 0.097(4) Uani 1 1 d . . .
C33 C 0.3952(5) 0.5862(14) 0.0742(3) 0.085(3) Uani 1 1 d . . .
C34 C 0.3706(3) 0.2700(12) 0.1690(3) 0.068(3) Uani 1 1 d . . .
C35 C 0.3868(3) 0.1001(11) 0.2221(3) 0.063(2) Uani 1 1 d . . .
C36 C 0.3500(3) 0.0274(14) 0.2330(3) 0.076(3) Uani 1 1 d . . .
H36 H 0.3190 0.0401 0.2213 0.091 Uiso 1 1 calc R . .
C37 C 0.3600(3) -0.0642(14) 0.2616(2) 0.073(3) Uani 1 1 d . . .
H37 H 0.3355 -0.1143 0.2689 0.087 Uiso 1 1 calc R . .
C38 C 0.4051(3) -0.0832(11) 0.2794(2) 0.056(2) Uani 1 1 d . . .
C39 C 0.4412(3) -0.0086(11) 0.2686(2) 0.056(2) Uani 1 1 d . . .
H39 H 0.4720 -0.0178 0.2809 0.068 Uiso 1 1 calc R . .
C40 C 0.4317(3) 0.0812(11) 0.2393(2) 0.061(2) Uani 1 1 d . . .
H40 H 0.4564 0.1283 0.2315 0.074 Uiso 1 1 calc R . .
C41 C 0.4553(3) -0.1888(12) 0.3289(2) 0.060(2) Uani 1 1 d . . .
H41A H 0.4668 -0.0868 0.3372 0.072 Uiso 1 1 calc R . .
H41B H 0.4778 -0.2341 0.3169 0.072 Uiso 1 1 calc R . .
C42 C 0.4499(4) -0.2911(11) 0.3576(2) 0.064(2) Uani 1 1 d . . .
H42A H 0.4382 -0.3921 0.3488 0.077 Uiso 1 1 calc R . .
H42B H 0.4807 -0.3069 0.3722 0.077 Uiso 1 1 calc R . .
C43 C 0.4307(4) -0.1361(10) 0.4064(2) 0.059(2) Uani 1 1 d . . .
C44 C 0.4758(5) -0.0849(13) 0.4207(3) 0.088(4) Uani 1 1 d . . .
H44 H 0.5015 -0.1107 0.4113 0.105 Uiso 1 1 calc R . .
C45 C 0.4813(5) 0.0094(15) 0.4505(2) 0.094(4) Uani 1 1 d . . .
H45 H 0.5108 0.0476 0.4609 0.113 Uiso 1 1 calc R . .
C46 C 0.4416(7) 0.0425(17) 0.4635(3) 0.111(5) Uani 1 1 d . . .
H46 H 0.4454 0.0987 0.4836 0.133 Uiso 1 1 calc R . .
C47 C 0.3972(6) -0.0041(14) 0.4480(3) 0.091(4) Uani 1 1 d . . .
H47 H 0.3711 0.0265 0.4566 0.109 Uiso 1 1 calc R . .
C48 C 0.3912(4) -0.0974(11) 0.4194(2) 0.068(3) Uani 1 1 d . . .
C49 C 0.3510(4) -0.1664(12) 0.3969(3) 0.072(3) Uani 1 1 d . . .
C50 C 0.3024(6) -0.1628(19) 0.3956(5) 0.119(6) Uani 1 1 d . . .
H50 H 0.2899 -0.1117 0.4121 0.143 Uiso 1 1 calc R . .
C51 C 0.2728(6) -0.240(2) 0.3682(6) 0.140(7) Uani 1 1 d . . .
H51 H 0.2402 -0.2392 0.3665 0.168 Uiso 1 1 calc R . .
C52 C 0.2913(5) -0.3169(17) 0.3438(4) 0.112(5) Uani 1 1 d . . .
H52 H 0.2710 -0.3649 0.3259 0.134 Uiso 1 1 calc R . .
C53 C 0.3397(4) -0.3235(13) 0.3457(3) 0.081(3) Uani 1 1 d . . .
H53 H 0.3525 -0.3784 0.3299 0.097 Uiso 1 1 calc R . .
C54 C 0.3681(4) -0.2446(10) 0.3722(2) 0.060(2) Uani 1 1 d . . .
C55 C 0.2720(8) 0.220(2) 0.0266(4) 0.161(18) Uani 0.50 1 d PD . .
H55A H 0.2607 0.1597 0.0435 0.194 Uiso 0.50 1 calc PR . .
H55B H 0.3046 0.2511 0.0350 0.194 Uiso 0.50 1 calc PR . .
Cl1 Cl 0.2636(4) 0.1256(12) -0.0125(4) 0.311(5) Uani 1 1 d DU . .
F1 F 0.4457(2) -0.0722(9) 0.1363(2) 0.108(2) Uani 1 1 d . . .
F2 F 0.4222(3) -0.2533(9) 0.18435(17) 0.118(3) Uani 1 1 d . . .
F3 F 0.3310(3) -0.2976(9) 0.18565(15) 0.115(3) Uani 1 1 d . . .
F4 F 0.2616(3) -0.1620(11) 0.1380(2) 0.127(3) Uani 1 1 d . . .
F5 F 0.2852(3) 0.0177(10) 0.0911(2) 0.115(3) Uani 1 1 d . . .
F6 F 0.2768(3) 0.5853(9) 0.08629(19) 0.109(2) Uani 1 1 d . . .
F7 F 0.2679(4) 0.7772(11) 0.03389(19) 0.143(3) Uani 1 1 d . . .
F8 F 0.3443(4) 0.8422(11) 0.00637(17) 0.157(4) Uani 1 1 d . . .
F9 F 0.4285(4) 0.7185(11) 0.0330(2) 0.150(4) Uani 1 1 d . . .
F10 F 0.4401(3) 0.5310(10) 0.0878(2) 0.115(2) Uani 1 1 d . . .
N1 N 0.3989(4) 0.3074(10) 0.0126(2) 0.081(3) Uani 1 1 d . . .
N2 N 0.3778(3) 0.7441(9) -0.17421(17) 0.0606(19) Uani 1 1 d . . .
N3 N 0.3763(3) 0.1920(10) 0.19371(19) 0.063(2) Uani 1 1 d . . .
N4 N 0.4175(3) -0.2271(8) 0.37783(17) 0.0582(19) Uani 1 1 d . . .
O1 O 0.3948(2) 0.6599(8) -0.10258(15) 0.0679(17) Uani 1 1 d . . .
O2 O 0.4105(2) -0.1751(8) 0.30701(15) 0.0678(17) 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 C7 1.948(11) . ?
Au1 C1 2.038(9) . ?
Au1 Au2 3.4073(7) . ?
Au2 C34 1.942(11) . ?
Au2 C28 1.997(10) . ?
C1 C3 1.371(13) . ?
C1 C2 1.374(15) . ?
C2 F5 1.317(13) . ?
C2 C6 1.410(17) . ?
C3 C4 1.347(15) . ?
C3 F1 1.369(12) . ?
C4 C5 1.314(16) . ?
C4 F2 1.388(12) . ?
C5 C6 1.338(17) . ?
C5 F3 1.348(12) . ?
C6 F4 1.333(13) . ?
C7 N1 1.162(13) . ?
C8 C9 1.369(16) . ?
C8 C13 1.412(16) . ?
C8 N1 1.418(13) . ?
C9 C10 1.357(15) . ?
C9 H9 0.9300 . ?
C10 C11 1.391(14) . ?
C10 H10 0.9300 . ?
C11 C12 1.352(14) . ?
C11 O1 1.395(11) . ?
C12 C13 1.359(14) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 O1 1.400(11) . ?
C14 C15 1.491(14) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 N2 1.477(12) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 N2 1.366(12) . ?
C16 C17 1.409(13) . ?
C16 C21 1.413(13) . ?
C17 C18 1.369(18) . ?
C17 H17 0.9300 . ?
C18 C19 1.35(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.401(18) . ?
C19 H19 0.9300 . ?
C20 C21 1.400(15) . ?
C20 H20 0.9300 . ?
C21 C22 1.448(14) . ?
C22 C23 1.374(15) . ?
C22 C27 1.383(14) . ?
C23 C24 1.37(2) . ?
C23 H23 0.9300 . ?
C24 C25 1.37(2) . ?
C24 H24 0.9300 . ?
C25 C26 1.449(19) . ?
C25 H25 0.9300 . ?
C26 C27 1.392(14) . ?
C26 H26 0.9300 . ?
C27 N2 1.383(10) . ?
C28 C33 1.358(16) . ?
C28 C29 1.397(17) . ?
C29 F6 1.348(15) . ?
C29 C30 1.412(16) . ?
C30 F7 1.311(16) . ?
C30 C31 1.41(2) . ?
C31 C32 1.33(2) . ?
C31 F8 1.354(14) . ?
C32 C33 1.354(18) . ?
C32 F9 1.363(15) . ?
C33 F10 1.384(16) . ?
C34 N3 1.186(12) . ?
C35 C40 1.350(13) . ?
C35 N3 1.372(13) . ?
C35 C36 1.383(14) . ?
C36 C37 1.376(14) . ?
C36 H36 0.9300 . ?
C37 C38 1.362(13) . ?
C37 H37 0.9300 . ?
C38 O2 1.348(11) . ?
C38 C39 1.370(12) . ?
C39 C40 1.393(12) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 O2 1.415(10) . ?
C41 C42 1.490(13) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 N4 1.471(10) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 N4 1.380(11) . ?
C43 C44 1.385(16) . ?
C43 C48 1.391(14) . ?
C44 C45 1.431(15) . ?
C44 H44 0.9300 . ?
C45 C46 1.388(18) . ?
C45 H45 0.9300 . ?
C46 C47 1.37(2) . ?
C46 H46 0.9300 . ?
C47 C48 1.387(15) . ?
C47 H47 0.9300 . ?
C48 C49 1.447(16) . ?
C49 C54 1.377(14) . ?
C49 C50 1.398(17) . ?
C50 C51 1.42(2) . ?
C50 H50 0.9300 . ?
C51 C52 1.38(2) . ?
C51 H51 0.9300 . ?
C52 C53 1.387(17) . ?
C52 H52 0.9300 . ?
C53 C54 1.383(14) . ?
C53 H53 0.9300 . ?
C54 N4 1.408(12) . ?
C55 Cl1 1.698(10) 7 ?
C55 Cl1 1.747(10) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
Cl1 C55 1.698(10) 7 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 Au1 C1 176.0(4) . . ?
C7 Au1 Au2 100.9(3) . . ?
C1 Au1 Au2 80.8(2) . . ?
C34 Au2 C28 177.1(4) . . ?
C34 Au2 Au1 97.0(3) . . ?
C28 Au2 Au1 85.1(3) . . ?
C3 C1 C2 114.8(9) . . ?
C3 C1 Au1 124.0(7) . . ?
C2 C1 Au1 121.1(8) . . ?
F5 C2 C1 120.4(10) . . ?
F5 C2 C6 117.7(11) . . ?
C1 C2 C6 121.9(11) . . ?
C4 C3 F1 118.1(10) . . ?
C4 C3 C1 123.3(10) . . ?
F1 C3 C1 118.5(9) . . ?
C5 C4 C3 120.3(10) . . ?
C5 C4 F2 119.8(10) . . ?
C3 C4 F2 119.8(11) . . ?
C4 C5 C6 121.5(11) . . ?
C4 C5 F3 119.9(12) . . ?
C6 C5 F3 118.5(13) . . ?
F4 C6 C5 124.4(12) . . ?
F4 C6 C2 117.5(12) . . ?
C5 C6 C2 118.0(11) . . ?
N1 C7 Au1 173.1(10) . . ?
C9 C8 C13 120.9(10) . . ?
C9 C8 N1 120.4(11) . . ?
C13 C8 N1 118.7(11) . . ?
C10 C9 C8 119.9(11) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 119.3(11) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C12 C11 C10 120.6(9) . . ?
C12 C11 O1 115.2(9) . . ?
C10 C11 O1 124.2(10) . . ?
C11 C12 C13 121.6(11) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C12 C13 C8 117.5(11) . . ?
C12 C13 H13 121.2 . . ?
C8 C13 H13 121.2 . . ?
O1 C14 C15 107.5(8) . . ?
O1 C14 H14A 110.2 . . ?
C15 C14 H14A 110.2 . . ?
O1 C14 H14B 110.2 . . ?
C15 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
N2 C15 C14 113.2(8) . . ?
N2 C15 H15A 108.9 . . ?
C14 C15 H15A 108.9 . . ?
N2 C15 H15B 108.9 . . ?
C14 C15 H15B 108.9 . . ?
H15A C15 H15B 107.8 . . ?
N2 C16 C17 128.5(9) . . ?
N2 C16 C21 107.9(8) . . ?
C17 C16 C21 123.5(10) . . ?
C18 C17 C16 115.7(12) . . ?
C18 C17 H17 122.1 . . ?
C16 C17 H17 122.1 . . ?
C19 C18 C17 123.3(13) . . ?
C19 C18 H18 118.4 . . ?
C17 C18 H18 118.4 . . ?
C18 C19 C20 121.2(12) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C19 C20 C21 119.1(11) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C20 C21 C16 117.2(11) . . ?
C20 C21 C22 135.9(10) . . ?
C16 C21 C22 106.9(8) . . ?
C23 C22 C27 121.1(11) . . ?
C23 C22 C21 132.6(11) . . ?
C27 C22 C21 106.3(8) . . ?
C24 C23 C22 117.8(13) . . ?
C24 C23 H23 121.1 . . ?
C22 C23 H23 121.1 . . ?
C25 C24 C23 121.9(14) . . ?
C25 C24 H24 119.1 . . ?
C23 C24 H24 119.0 . . ?
C24 C25 C26 122.1(14) . . ?
C24 C25 H25 119.0 . . ?
C26 C25 H25 119.0 . . ?
C27 C26 C25 113.3(12) . . ?
C27 C26 H26 123.3 . . ?
C25 C26 H26 123.3 . . ?
N2 C27 C22 109.3(8) . . ?
N2 C27 C26 127.1(10) . . ?
C22 C27 C26 123.6(9) . . ?
C33 C28 C29 112.6(11) . . ?
C33 C28 Au2 126.8(10) . . ?
C29 C28 Au2 120.6(9) . . ?
F6 C29 C28 121.5(10) . . ?
F6 C29 C30 113.1(13) . . ?
C28 C29 C30 125.4(13) . . ?
F7 C30 C31 122.3(13) . . ?
F7 C30 C29 122.6(13) . . ?
C31 C30 C29 115.0(14) . . ?
C32 C31 F8 121.7(17) . . ?
C32 C31 C30 120.9(11) . . ?
F8 C31 C30 117.4(18) . . ?
C31 C32 C33 120.5(14) . . ?
C31 C32 F9 117.4(14) . . ?
C33 C32 F9 122.1(16) . . ?
C32 C33 C28 125.6(15) . . ?
C32 C33 F10 116.7(13) . . ?
C28 C33 F10 117.7(11) . . ?
N3 C34 Au2 177.3(9) . . ?
C40 C35 N3 121.4(9) . . ?
C40 C35 C36 120.2(9) . . ?
N3 C35 C36 118.4(9) . . ?
C37 C36 C35 118.9(9) . . ?
C37 C36 H36 120.5 . . ?
C35 C36 H36 120.5 . . ?
C38 C37 C36 121.6(9) . . ?
C38 C37 H37 119.2 . . ?
C36 C37 H37 119.2 . . ?
O2 C38 C37 116.1(8) . . ?
O2 C38 C39 124.9(8) . . ?
C37 C38 C39 119.0(9) . . ?
C38 C39 C40 120.0(8) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C35 C40 C39 120.2(9) . . ?
C35 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
O2 C41 C42 107.7(8) . . ?
O2 C41 H41A 110.2 . . ?
C42 C41 H41A 110.2 . . ?
O2 C41 H41B 110.2 . . ?
C42 C41 H41B 110.2 . . ?
H41A C41 H41B 108.5 . . ?
N4 C42 C41 113.3(7) . . ?
N4 C42 H42A 108.9 . . ?
C41 C42 H42A 108.9 . . ?
N4 C42 H42B 108.9 . . ?
C41 C42 H42B 108.9 . . ?
H42A C42 H42B 107.7 . . ?
N4 C43 C44 126.9(9) . . ?
N4 C43 C48 110.3(9) . . ?
C44 C43 C48 122.8(10) . . ?
C43 C44 C45 117.4(12) . . ?
C43 C44 H44 121.3 . . ?
C45 C44 H44 121.3 . . ?
C46 C45 C44 118.6(13) . . ?
C46 C45 H45 120.7 . . ?
C44 C45 H45 120.7 . . ?
C47 C46 C45 122.6(11) . . ?
C47 C46 H46 118.7 . . ?
C45 C46 H46 118.7 . . ?
C46 C47 C48 119.4(12) . . ?
C46 C47 H47 120.3 . . ?
C48 C47 H47 120.3 . . ?
C47 C48 C43 119.0(12) . . ?
C47 C48 C49 134.8(11) . . ?
C43 C48 C49 106.2(9) . . ?
C54 C49 C50 119.6(13) . . ?
C54 C49 C48 107.0(9) . . ?
C50 C49 C48 133.3(13) . . ?
C49 C50 C51 117.3(16) . . ?
C49 C50 H50 121.4 . . ?
C51 C50 H50 121.4 . . ?
C52 C51 C50 121.3(15) . . ?
C52 C51 H51 119.3 . . ?
C50 C51 H51 119.3 . . ?
C51 C52 C53 121.1(15) . . ?
C51 C52 H52 119.4 . . ?
C53 C52 H52 119.4 . . ?
C54 C53 C52 116.9(13) . . ?
C54 C53 H53 121.6 . . ?
C52 C53 H53 121.6 . . ?
C49 C54 C53 123.7(10) . . ?
C49 C54 N4 109.7(9) . . ?
C53 C54 N4 126.6(9) . . ?
Cl1 C55 Cl1 95.7(10) 7 . ?
Cl1 C55 H55A 112.6 7 . ?
Cl1 C55 H55A 112.6 . . ?
Cl1 C55 H55B 112.6 7 . ?
Cl1 C55 H55B 112.6 . . ?
H55A C55 H55B 110.1 . . ?
C55 Cl1 C55 84.3(10) 7 . ?
C7 N1 C8 170.9(13) . . ?
C16 N2 C27 109.6(8) . . ?
C16 N2 C15 123.9(8) . . ?
C27 N2 C15 126.5(8) . . ?
C34 N3 C35 175.3(10) . . ?
C43 N4 C54 106.8(7) . . ?
C43 N4 C42 125.5(9) . . ?
C54 N4 C42 127.8(8) . . ?
C11 O1 C14 117.8(7) . . ?
C38 O2 C41 119.8(7) . . ?

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
C7 Au1 Au2 C34 -164.6(4) . . . . ?
C1 Au1 Au2 C34 19.0(4) . . . . ?
C7 Au1 Au2 C28 13.4(5) . . . . ?
C1 Au1 Au2 C28 -163.0(4) . . . . ?
C7 Au1 C1 C3 146(6) . . . . ?
Au2 Au1 C1 C3 -98.1(8) . . . . ?
C7 Au1 C1 C2 -34(7) . . . . ?
Au2 Au1 C1 C2 81.8(8) . . . . ?
C3 C1 C2 F5 179.2(10) . . . . ?
Au1 C1 C2 F5 -0.7(15) . . . . ?
C3 C1 C2 C6 0.1(16) . . . . ?
Au1 C1 C2 C6 -179.9(9) . . . . ?
C2 C1 C3 C4 2.0(15) . . . . ?
Au1 C1 C3 C4 -178.1(8) . . . . ?
C2 C1 C3 F1 179.4(9) . . . . ?
Au1 C1 C3 F1 -0.6(13) . . . . ?
F1 C3 C4 C5 179.1(11) . . . . ?
C1 C3 C4 C5 -3.5(17) . . . . ?
F1 C3 C4 F2 2.4(15) . . . . ?
C1 C3 C4 F2 179.9(9) . . . . ?
C3 C4 C5 C6 2.8(19) . . . . ?
F2 C4 C5 C6 179.4(11) . . . . ?
C3 C4 C5 F3 -179.3(10) . . . . ?
F2 C4 C5 F3 -2.6(18) . . . . ?
C4 C5 C6 F4 177.0(12) . . . . ?
F3 C5 C6 F4 -1(2) . . . . ?
C4 C5 C6 C2 -1(2) . . . . ?
F3 C5 C6 C2 -178.8(11) . . . . ?
F5 C2 C6 F4 2.3(18) . . . . ?
C1 C2 C6 F4 -178.6(11) . . . . ?
F5 C2 C6 C5 -179.8(11) . . . . ?
C1 C2 C6 C5 -0.7(19) . . . . ?
C1 Au1 C7 N1 -10(15) . . . . ?
Au2 Au1 C7 N1 -126(9) . . . . ?
C13 C8 C9 C10 2.5(17) . . . . ?
N1 C8 C9 C10 -179.7(10) . . . . ?
C8 C9 C10 C11 -2.7(17) . . . . ?
C9 C10 C11 C12 2.8(16) . . . . ?
C9 C10 C11 O1 179.5(9) . . . . ?
C10 C11 C12 C13 -2.6(15) . . . . ?
O1 C11 C12 C13 -179.6(9) . . . . ?
C11 C12 C13 C8 2.3(15) . . . . ?
C9 C8 C13 C12 -2.2(15) . . . . ?
N1 C8 C13 C12 180.0(9) . . . . ?
O1 C14 C15 N2 69.3(10) . . . . ?
N2 C16 C17 C18 -177.4(10) . . . . ?
C21 C16 C17 C18 0.3(14) . . . . ?
C16 C17 C18 C19 -1.7(18) . . . . ?
C17 C18 C19 C20 3(2) . . . . ?
C18 C19 C20 C21 -3.3(18) . . . . ?
C19 C20 C21 C16 1.9(15) . . . . ?
C19 C20 C21 C22 179.9(10) . . . . ?
N2 C16 C21 C20 177.6(8) . . . . ?
C17 C16 C21 C20 -0.5(13) . . . . ?
N2 C16 C21 C22 -0.9(9) . . . . ?
C17 C16 C21 C22 -179.0(8) . . . . ?
C20 C21 C22 C23 1.4(19) . . . . ?
C16 C21 C22 C23 179.5(11) . . . . ?
C20 C21 C22 C27 -176.8(11) . . . . ?
C16 C21 C22 C27 1.3(10) . . . . ?
C27 C22 C23 C24 3.3(18) . . . . ?
C21 C22 C23 C24 -174.7(12) . . . . ?
C22 C23 C24 C25 -4(2) . . . . ?
C23 C24 C25 C26 2(3) . . . . ?
C24 C25 C26 C27 2(2) . . . . ?
C23 C22 C27 N2 -179.7(9) . . . . ?
C21 C22 C27 N2 -1.3(10) . . . . ?
C23 C22 C27 C26 0.4(15) . . . . ?
C21 C22 C27 C26 178.8(9) . . . . ?
C25 C26 C27 N2 177.3(10) . . . . ?
C25 C26 C27 C22 -2.8(16) . . . . ?
C34 Au2 C28 C33 67(10) . . . . ?
Au1 Au2 C28 C33 -68.6(9) . . . . ?
C34 Au2 C28 C29 -112(9) . . . . ?
Au1 Au2 C28 C29 111.8(8) . . . . ?
C33 C28 C29 F6 179.8(9) . . . . ?
Au2 C28 C29 F6 -0.6(14) . . . . ?
C33 C28 C29 C30 1.5(16) . . . . ?
Au2 C28 C29 C30 -178.8(9) . . . . ?
F6 C29 C30 F7 2.8(16) . . . . ?
C28 C29 C30 F7 -178.9(11) . . . . ?
F6 C29 C30 C31 -179.2(10) . . . . ?
C28 C29 C30 C31 -0.8(17) . . . . ?
F7 C30 C31 C32 177.3(12) . . . . ?
C29 C30 C31 C32 -0.7(18) . . . . ?
F7 C30 C31 F8 -0.8(18) . . . . ?
C29 C30 C31 F8 -178.8(10) . . . . ?
F8 C31 C32 C33 179.5(10) . . . . ?
C30 C31 C32 C33 1(2) . . . . ?
F8 C31 C32 F9 -1.8(19) . . . . ?
C30 C31 C32 F9 -179.8(10) . . . . ?
C31 C32 C33 C28 -0.7(19) . . . . ?
F9 C32 C33 C28 -179.4(10) . . . . ?
C31 C32 C33 F10 -178.2(11) . . . . ?
F9 C32 C33 F10 3.1(16) . . . . ?
C29 C28 C33 C32 -0.8(16) . . . . ?
Au2 C28 C33 C32 179.6(9) . . . . ?
C29 C28 C33 F10 176.7(9) . . . . ?
Au2 C28 C33 F10 -2.9(14) . . . . ?
C28 Au2 C34 N3 -39(26) . . . . ?
Au1 Au2 C34 N3 97(21) . . . . ?
C40 C35 C36 C37 -0.1(16) . . . . ?
N3 C35 C36 C37 -179.5(10) . . . . ?
C35 C36 C37 C38 0.7(18) . . . . ?
C36 C37 C38 O2 179.7(10) . . . . ?
C36 C37 C38 C39 0.4(16) . . . . ?
O2 C38 C39 C40 178.7(9) . . . . ?
C37 C38 C39 C40 -2.0(14) . . . . ?
N3 C35 C40 C39 177.9(9) . . . . ?
C36 C35 C40 C39 -1.6(15) . . . . ?
C38 C39 C40 C35 2.6(14) . . . . ?
O2 C41 C42 N4 -61.9(10) . . . . ?
N4 C43 C44 C45 179.8(9) . . . . ?
C48 C43 C44 C45 1.2(14) . . . . ?
C43 C44 C45 C46 0.7(16) . . . . ?
C44 C45 C46 C47 -4(2) . . . . ?
C45 C46 C47 C48 5(2) . . . . ?
C46 C47 C48 C43 -2.5(15) . . . . ?
C46 C47 C48 C49 -179.6(11) . . . . ?
N4 C43 C48 C47 -179.1(8) . . . . ?
C44 C43 C48 C47 -0.3(14) . . . . ?
N4 C43 C48 C49 -1.3(10) . . . . ?
C44 C43 C48 C49 177.5(9) . . . . ?
C47 C48 C49 C54 178.4(10) . . . . ?
C43 C48 C49 C54 1.1(10) . . . . ?
C47 C48 C49 C50 1(2) . . . . ?
C43 C48 C49 C50 -176.6(12) . . . . ?
C54 C49 C50 C51 -0.6(18) . . . . ?
C48 C49 C50 C51 176.9(12) . . . . ?
C49 C50 C51 C52 0(2) . . . . ?
C50 C51 C52 C53 1(2) . . . . ?
C51 C52 C53 C54 -2.6(19) . . . . ?
C50 C49 C54 C53 -0.8(15) . . . . ?
C48 C49 C54 C53 -178.9(9) . . . . ?
C50 C49 C54 N4 177.6(9) . . . . ?
C48 C49 C54 N4 -0.6(10) . . . . ?
C52 C53 C54 C49 2.4(15) . . . . ?
C52 C53 C54 N4 -175.7(10) . . . . ?
Cl1 C55 Cl1 C55 0.000(1) 7 . . 7 ?
Au1 C7 N1 C8 68(12) . . . . ?
C9 C8 N1 C7 -12(7) . . . . ?
C13 C8 N1 C7 166(6) . . . . ?
C17 C16 N2 C27 178.1(9) . . . . ?
C21 C16 N2 C27 0.1(9) . . . . ?
C17 C16 N2 C15 -2.7(14) . . . . ?
C21 C16 N2 C15 179.3(8) . . . . ?
C22 C27 N2 C16 0.7(10) . . . . ?
C26 C27 N2 C16 -179.4(9) . . . . ?
C22 C27 N2 C15 -178.4(8) . . . . ?
C26 C27 N2 C15 1.5(15) . . . . ?
C14 C15 N2 C16 -92.1(11) . . . . ?
C14 C15 N2 C27 86.9(11) . . . . ?
Au2 C34 N3 C35 -33(30) . . . . ?
C40 C35 N3 C34 22(13) . . . . ?
C36 C35 N3 C34 -159(12) . . . . ?
C44 C43 N4 C54 -177.8(9) . . . . ?
C48 C43 N4 C54 1.0(9) . . . . ?
C44 C43 N4 C42 2.0(14) . . . . ?
C48 C43 N4 C42 -179.3(8) . . . . ?
C49 C54 N4 C43 -0.2(9) . . . . ?
C53 C54 N4 C43 178.1(9) . . . . ?
C49 C54 N4 C42 -180.0(8) . . . . ?
C53 C54 N4 C42 -1.6(14) . . . . ?
C41 C42 N4 C43 -92.7(10) . . . . ?
C41 C42 N4 C54 87.0(11) . . . . ?
C12 C11 O1 C14 -178.2(8) . . . . ?
C10 C11 O1 C14 4.9(13) . . . . ?
C15 C14 O1 C11 172.2(7) . . . . ?
C37 C38 O2 C41 -173.7(9) . . . . ?
C39 C38 O2 C41 5.6(13) . . . . ?
C42 C41 O2 C38 177.5(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.98
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.191
_refine_diff_density_min         -1.070
_refine_diff_density_rms         0.167
####################################################################### 
# 
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1425340'
_audit_update_record             
;
2015-09-17 deposited with the CCDC.
2015-10-27 downloaded from the CCDC.
;



_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H20 Au F5 N2 O'
_chemical_formula_weight         704.44

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.4570(17)
_cell_length_b                   22.475(4)
_cell_length_c                   11.8269(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.490(2)
_cell_angle_gamma                90.00
_cell_volume                     2509.1(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9923
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      29.54

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1360
_exptl_absorpt_coefficient_mu    5.927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5365
_exptl_absorpt_correction_T_max  0.9431
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            25560
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.81
_diffrn_reflns_theta_max         30.83
_reflns_number_total             7797
_reflns_number_gt                5383
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0720P)²+0.6909P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7797
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0450
_refine_ls_wR_factor_ref         0.1301
_refine_ls_wR_factor_gt          0.1151
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 1.23628(2) 0.120267(8) 0.347598(18) 0.05458(9) Uani 1 1 d . . .
C1 C 1.2821(5) 0.0991(2) 0.2024(4) 0.0461(9) Uani 1 1 d . . .
C2 C 1.2336(5) 0.0479(2) 0.1313(5) 0.0582(12) Uani 1 1 d . . .
C3 C 1.2689(7) 0.0315(2) 0.0395(5) 0.0664(14) Uani 1 1 d . . .
C4 C 1.3564(7) 0.0664(3) 0.0090(5) 0.0657(14) Uani 1 1 d . . .
C5 C 1.4080(6) 0.1183(2) 0.0746(5) 0.0576(12) Uani 1 1 d . . .
C6 C 1.3684(5) 0.1342(2) 0.1659(5) 0.0529(11) Uani 1 1 d . . .
C7 C 1.1911(6) 0.1369(2) 0.4892(5) 0.0563(11) Uani 1 1 d . . .
C8 C 1.1286(5) 0.1532(2) 0.6736(5) 0.0490(10) Uani 1 1 d . . .
C9 C 1.0307(5) 0.11566(19) 0.6846(5) 0.0496(11) Uani 1 1 d . . .
H9 H 0.9917 0.0849 0.6273 0.060 Uiso 1 1 calc R . .
C10 C 0.9903(5) 0.12341(17) 0.7795(5) 0.0488(10) Uani 1 1 d . . .
H10 H 0.9248 0.0977 0.7873 0.059 Uiso 1 1 calc R . .
C11 C 1.0475(5) 0.16992(19) 0.8644(4) 0.0463(9) Uani 1 1 d . . .
C12 C 1.1489(5) 0.2071(2) 0.8534(5) 0.0516(10) Uani 1 1 d . . .
H12 H 1.1896 0.2375 0.9111 0.062 Uiso 1 1 calc R . .
C13 C 1.1887(5) 0.1987(2) 0.7575(5) 0.0535(11) Uani 1 1 d . . .
H13 H 1.2555 0.2236 0.7497 0.064 Uiso 1 1 calc R . .
C14 C 0.8975(6) 0.1487(2) 0.9644(6) 0.0563(12) Uani 1 1 d . . .
H14A H 0.9222 0.1068 0.9743 0.068 Uiso 1 1 calc R . .
H14B H 0.8116 0.1537 0.8877 0.068 Uiso 1 1 calc R . .
C15 C 0.8741(6) 0.1701(2) 1.0735(5) 0.0594(12) Uani 1 1 d . . .
H15A H 0.9579 0.1610 1.1496 0.071 Uiso 1 1 calc R . .
H15B H 0.7959 0.1478 1.0761 0.071 Uiso 1 1 calc R . .
C16 C 0.8420(5) 0.2364(2) 1.0731(5) 0.0561(11) Uani 1 1 d . . .
H16A H 0.8452 0.2468 1.1539 0.067 Uiso 1 1 calc R . .
H16B H 0.9162 0.2586 1.0635 0.067 Uiso 1 1 calc R . .
C17 C 0.7006(5) 0.25586(19) 0.9719(5) 0.0513(11) Uani 1 1 d . . .
H17A H 0.6990 0.2486 0.8905 0.062 Uiso 1 1 calc R . .
H17B H 0.6258 0.2324 0.9776 0.062 Uiso 1 1 calc R . .
C18 C 0.7185(5) 0.36575(19) 0.9326(4) 0.0449(9) Uani 1 1 d . . .
C19 C 0.6880(5) 0.41938(19) 0.9766(4) 0.0460(9) Uani 1 1 d . . .
C20 C 0.6259(4) 0.4043(2) 1.0606(4) 0.0446(9) Uani 1 1 d . . .
C21 C 0.6183(4) 0.34200(19) 1.0612(4) 0.0433(9) Uani 1 1 d . . .
C22 C 0.5637(5) 0.3125(2) 1.1340(5) 0.0557(11) Uani 1 1 d . . .
H22 H 0.5569 0.2712 1.1332 0.067 Uiso 1 1 calc R . .
C23 C 0.5197(6) 0.3472(3) 1.2081(5) 0.0678(15) Uani 1 1 d . . .
H23 H 0.4851 0.3286 1.2595 0.081 Uiso 1 1 calc R . .
C24 C 0.5261(6) 0.4083(3) 1.2072(5) 0.0703(16) Uani 1 1 d . . .
H24 H 0.4953 0.4303 1.2573 0.084 Uiso 1 1 calc R . .
C25 C 0.5774(5) 0.4371(2) 1.1331(5) 0.0597(13) Uani 1 1 d . . .
H25 H 0.5796 0.4784 1.1317 0.072 Uiso 1 1 calc R . .
C26 C 0.7856(7) 0.3643(3) 0.8528(5) 0.0624(13) Uani 1 1 d . . .
H26 H 0.8053 0.3285 0.8241 0.075 Uiso 1 1 calc R . .
C27 C 0.8214(7) 0.4184(3) 0.8184(6) 0.0762(17) Uani 1 1 d . . .
H27 H 0.8664 0.4192 0.7656 0.091 Uiso 1 1 calc R . .
C28 C 0.7911(7) 0.4714(3) 0.8615(6) 0.0772(17) Uani 1 1 d . . .
H28 H 0.8150 0.5071 0.8357 0.093 Uiso 1 1 calc R . .
C29 C 0.7274(6) 0.4729(2) 0.9404(5) 0.0604(13) Uani 1 1 d . . .
H29 H 0.7104 0.5090 0.9699 0.072 Uiso 1 1 calc R . .
F1 F 1.1467(4) 0.01158(15) 0.1576(3) 0.0834(10) Uani 1 1 d . . .
F2 F 1.2197(6) -0.01949(18) -0.0253(4) 0.1115(16) Uani 1 1 d . . .
F3 F 1.3925(5) 0.05065(18) -0.0834(4) 0.1022(13) Uani 1 1 d . . .
F4 F 1.4910(4) 0.15378(17) 0.0431(4) 0.0889(11) Uani 1 1 d . . .
F5 F 1.4170(4) 0.18692(13) 0.2241(3) 0.0736(9) Uani 1 1 d . . .
N1 N 1.1635(5) 0.14530(19) 0.5721(4) 0.0565(10) Uani 1 1 d . . .
N2 N 0.6736(4) 0.31890(15) 0.9827(4) 0.0461(8) Uani 1 1 d . . .
O1 O 1.0111(4) 0.18295(14) 0.9580(3) 0.0576(8) 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 C7 1.961(6) . ?
Au1 C1 2.028(5) . ?
C1 C2 1.385(7) . ?
C1 C6 1.400(7) . ?
C2 C3 1.340(7) . ?
C2 F1 1.354(5) . ?
C3 F2 1.351(6) . ?
C3 C4 1.367(7) . ?
C4 F3 1.348(6) . ?
C4 C5 1.377(8) . ?
C5 F4 1.344(6) . ?
C5 C6 1.359(8) . ?
C6 F5 1.355(6) . ?
C7 N1 1.151(7) . ?
C8 C13 1.375(7) . ?
C8 C9 1.375(7) . ?
C8 N1 1.408(6) . ?
C9 C10 1.371(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.393(6) . ?
C10 H10 0.9300 . ?
C11 O1 1.348(5) . ?
C11 C12 1.398(6) . ?
C12 C13 1.379(6) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 O1 1.444(6) . ?
C14 C15 1.492(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.528(7) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.512(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 N2 1.461(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 N2 1.386(6) . ?
C18 C26 1.397(7) . ?
C18 C19 1.403(6) . ?
C19 C29 1.397(6) . ?
C19 C20 1.441(6) . ?
C20 C25 1.381(6) . ?
C20 C21 1.403(7) . ?
C21 N2 1.388(6) . ?
C21 C22 1.389(6) . ?
C22 C23 1.392(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.375(11) . ?
C23 H23 0.9300 . ?
C24 C25 1.370(8) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.385(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.386(9) . ?
C27 H27 0.9300 . ?
C28 C29 1.360(8) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?

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 177.38(19) . . ?
C2 C1 C6 113.4(4) . . ?
C2 C1 Au1 123.4(3) . . ?
C6 C1 Au1 123.2(4) . . ?
C3 C2 F1 117.7(5) . . ?
C3 C2 C1 124.4(4) . . ?
F1 C2 C1 117.9(5) . . ?
C2 C3 F2 121.6(5) . . ?
C2 C3 C4 120.3(5) . . ?
F2 C3 C4 118.2(5) . . ?
F3 C4 C3 121.1(5) . . ?
F3 C4 C5 120.1(5) . . ?
C3 C4 C5 118.8(5) . . ?
F4 C5 C6 121.2(5) . . ?
F4 C5 C4 119.3(5) . . ?
C6 C5 C4 119.4(5) . . ?
F5 C6 C5 117.2(4) . . ?
F5 C6 C1 119.1(5) . . ?
C5 C6 C1 123.7(5) . . ?
N1 C7 Au1 178.5(5) . . ?
C13 C8 C9 121.0(4) . . ?
C13 C8 N1 120.2(4) . . ?
C9 C8 N1 118.7(4) . . ?
C10 C9 C8 120.3(4) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 119.8(4) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
O1 C11 C10 124.7(4) . . ?
O1 C11 C12 116.1(4) . . ?
C10 C11 C12 119.3(4) . . ?
C13 C12 C11 120.3(4) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C8 C13 C12 119.3(4) . . ?
C8 C13 H13 120.4 . . ?
C12 C13 H13 120.4 . . ?
O1 C14 C15 108.6(4) . . ?
O1 C14 H14A 110.0 . . ?
C15 C14 H14A 110.0 . . ?
O1 C14 H14B 110.0 . . ?
C15 C14 H14B 110.0 . . ?
H14A C14 H14B 108.3 . . ?
C14 C15 C16 115.4(4) . . ?
C14 C15 H15A 108.4 . . ?
C16 C15 H15A 108.4 . . ?
C14 C15 H15B 108.4 . . ?
C16 C15 H15B 108.4 . . ?
H15A C15 H15B 107.5 . . ?
C17 C16 C15 115.0(4) . . ?
C17 C16 H16A 108.5 . . ?
C15 C16 H16A 108.5 . . ?
C17 C16 H16B 108.5 . . ?
C15 C16 H16B 108.5 . . ?
H16A C16 H16B 107.5 . . ?
N2 C17 C16 111.8(4) . . ?
N2 C17 H17A 109.3 . . ?
C16 C17 H17A 109.3 . . ?
N2 C17 H17B 109.3 . . ?
C16 C17 H17B 109.3 . . ?
H17A C17 H17B 107.9 . . ?
N2 C18 C26 129.2(4) . . ?
N2 C18 C19 108.7(4) . . ?
C26 C18 C19 122.1(4) . . ?
C29 C19 C18 118.8(5) . . ?
C29 C19 C20 133.9(5) . . ?
C18 C19 C20 107.2(4) . . ?
C25 C20 C21 119.4(4) . . ?
C25 C20 C19 134.2(5) . . ?
C21 C20 C19 106.4(4) . . ?
N2 C21 C22 129.5(4) . . ?
N2 C21 C20 109.2(4) . . ?
C22 C21 C20 121.3(4) . . ?
C21 C22 C23 117.2(5) . . ?
C21 C22 H22 121.4 . . ?
C23 C22 H22 121.4 . . ?
C24 C23 C22 121.7(5) . . ?
C24 C23 H23 119.2 . . ?
C22 C23 H23 119.2 . . ?
C25 C24 C23 120.6(5) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C24 C25 C20 119.7(5) . . ?
C24 C25 H25 120.2 . . ?
C20 C25 H25 120.2 . . ?
C27 C26 C18 117.1(5) . . ?
C27 C26 H26 121.4 . . ?
C18 C26 H26 121.4 . . ?
C26 C27 C28 120.9(6) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 H27 119.6 . . ?
C29 C28 C27 122.0(5) . . ?
C29 C28 H28 119.0 . . ?
C27 C28 H28 119.0 . . ?
C28 C29 C19 119.1(5) . . ?
C28 C29 H29 120.5 . . ?
C19 C29 H29 120.5 . . ?
C7 N1 C8 177.7(5) . . ?
C18 N2 C21 108.5(4) . . ?
C18 N2 C17 125.8(4) . . ?
C21 N2 C17 125.0(4) . . ?
C11 O1 C14 117.2(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C7 Au1 C1 C2 28(4) . . . . ?
C7 Au1 C1 C6 -151(4) . . . . ?
C6 C1 C2 C3 2.6(8) . . . . ?
Au1 C1 C2 C3 -176.2(5) . . . . ?
C6 C1 C2 F1 -178.6(4) . . . . ?
Au1 C1 C2 F1 2.6(7) . . . . ?
F1 C2 C3 F2 0.2(9) . . . . ?
C1 C2 C3 F2 179.0(6) . . . . ?
F1 C2 C3 C4 -179.9(5) . . . . ?
C1 C2 C3 C4 -1.1(9) . . . . ?
C2 C3 C4 F3 -179.7(6) . . . . ?
F2 C3 C4 F3 0.2(10) . . . . ?
C2 C3 C4 C5 0.4(9) . . . . ?
F2 C3 C4 C5 -179.7(6) . . . . ?
F3 C4 C5 F4 1.9(9) . . . . ?
C3 C4 C5 F4 -178.2(5) . . . . ?
F3 C4 C5 C6 178.7(5) . . . . ?
C3 C4 C5 C6 -1.4(9) . . . . ?
F4 C5 C6 F5 -0.5(8) . . . . ?
C4 C5 C6 F5 -177.2(5) . . . . ?
F4 C5 C6 C1 179.9(5) . . . . ?
C4 C5 C6 C1 3.2(9) . . . . ?
C2 C1 C6 F5 176.8(4) . . . . ?
Au1 C1 C6 F5 -4.5(7) . . . . ?
C2 C1 C6 C5 -3.6(7) . . . . ?
Au1 C1 C6 C5 175.1(4) . . . . ?
C1 Au1 C7 N1 -16(22) . . . . ?
C13 C8 C9 C10 0.5(7) . . . . ?
N1 C8 C9 C10 -177.6(4) . . . . ?
C8 C9 C10 C11 0.7(7) . . . . ?
C9 C10 C11 O1 177.3(4) . . . . ?
C9 C10 C11 C12 -1.9(7) . . . . ?
O1 C11 C12 C13 -177.4(4) . . . . ?
C10 C11 C12 C13 1.8(7) . . . . ?
C9 C8 C13 C12 -0.6(7) . . . . ?
N1 C8 C13 C12 177.5(4) . . . . ?
C11 C12 C13 C8 -0.6(7) . . . . ?
O1 C14 C15 C16 56.5(6) . . . . ?
C14 C15 C16 C17 68.2(6) . . . . ?
C15 C16 C17 N2 176.2(4) . . . . ?
N2 C18 C19 C29 178.4(4) . . . . ?
C26 C18 C19 C29 -0.7(7) . . . . ?
N2 C18 C19 C20 2.0(5) . . . . ?
C26 C18 C19 C20 -177.2(5) . . . . ?
C29 C19 C20 C25 2.9(9) . . . . ?
C18 C19 C20 C25 178.6(5) . . . . ?
C29 C19 C20 C21 -177.2(5) . . . . ?
C18 C19 C20 C21 -1.5(5) . . . . ?
C25 C20 C21 N2 -179.6(4) . . . . ?
C19 C20 C21 N2 0.5(4) . . . . ?
C25 C20 C21 C22 -0.4(6) . . . . ?
C19 C20 C21 C22 179.6(4) . . . . ?
N2 C21 C22 C23 177.7(5) . . . . ?
C20 C21 C22 C23 -1.3(7) . . . . ?
C21 C22 C23 C24 1.7(7) . . . . ?
C22 C23 C24 C25 -0.4(8) . . . . ?
C23 C24 C25 C20 -1.3(8) . . . . ?
C21 C20 C25 C24 1.7(7) . . . . ?
C19 C20 C25 C24 -178.3(5) . . . . ?
N2 C18 C26 C27 -178.9(5) . . . . ?
C19 C18 C26 C27 0.0(8) . . . . ?
C18 C26 C27 C28 -0.2(9) . . . . ?
C26 C27 C28 C29 1.0(10) . . . . ?
C27 C28 C29 C19 -1.7(9) . . . . ?
C18 C19 C29 C28 1.5(7) . . . . ?
C20 C19 C29 C28 176.8(5) . . . . ?
Au1 C7 N1 C8 9(30) . . . . ?
C13 C8 N1 C7 152(13) . . . . ?
C9 C8 N1 C7 -30(13) . . . . ?
C26 C18 N2 C21 177.4(5) . . . . ?
C19 C18 N2 C21 -1.7(5) . . . . ?
C26 C18 N2 C17 6.7(8) . . . . ?
C19 C18 N2 C17 -172.4(4) . . . . ?
C22 C21 N2 C18 -178.4(5) . . . . ?
C20 C21 N2 C18 0.7(5) . . . . ?
C22 C21 N2 C17 -7.6(7) . . . . ?
C20 C21 N2 C17 171.5(4) . . . . ?
C16 C17 N2 C18 85.8(6) . . . . ?
C16 C17 N2 C21 -83.4(5) . . . . ?
C10 C11 O1 C14 -4.6(7) . . . . ?
C12 C11 O1 C14 174.5(4) . . . . ?
C15 C14 O1 C11 -179.9(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        30.84
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.303
_refine_diff_density_min         -2.091
_refine_diff_density_rms         0.167
####################################################################### 
# 
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1425341'
_audit_update_record             
;
2015-09-17 deposited with the CCDC.
2015-10-27 downloaded from the CCDC.
;



_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H28 Au F5 N2 O'
_chemical_formula_weight         760.54

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.127(3)
_cell_length_b                   7.5247(11)
_cell_length_c                   41.685(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.562(2)
_cell_angle_gamma                90.00
_cell_volume                     5877.8(15)
_cell_formula_units_Z            8
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9653
_cell_measurement_theta_min      2.17
_cell_measurement_theta_max      31.58

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2976
_exptl_absorpt_coefficient_mu    5.067
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.4306
_exptl_absorpt_correction_T_max  0.6313
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19498
_diffrn_reflns_av_R_equivalents  0.0831
_diffrn_reflns_av_sigmaI/netI    0.0768
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_theta_min         2.17
_diffrn_reflns_theta_max         26.00
_reflns_number_total             5747
_reflns_number_gt                4361
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0576P)²+141.6109P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5747
_refine_ls_number_parameters     379
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1197
_refine_ls_R_factor_gt           0.0928
_refine_ls_wR_factor_ref         0.2232
_refine_ls_wR_factor_gt          0.2082
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_restrained_S_all      1.184
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 1.22530(3) 1.03763(9) 1.003106(15) 0.0716(3) Uani 1 1 d . . .
O1 O 0.8480(4) 1.0135(12) 0.8554(2) 0.054(2) Uani 1 1 d . . .
C15 C 0.7294(6) 0.9694(19) 0.8261(3) 0.050(3) Uani 1 1 d . . .
H15A H 0.7479 0.8746 0.8144 0.060 Uiso 1 1 calc R . .
H15B H 0.7308 1.0787 0.8139 0.060 Uiso 1 1 calc R . .
N2 N 0.2909(5) 1.0212(15) 0.8179(3) 0.054(3) Uani 1 1 d . . .
C24 C 0.1747(6) 0.9392(15) 0.8061(3) 0.042(3) Uani 1 1 d . . .
N1 N 1.0748(6) 1.0771(18) 0.9589(3) 0.069(3) Uani 1 1 d . . .
C12 C 0.8898(7) 1.035(2) 0.9143(3) 0.058(3) Uani 1 1 d . . .
H12 H 0.8442 1.0242 0.9186 0.070 Uiso 1 1 calc R . .
C29 C 0.2328(6) 0.9964(14) 0.7930(3) 0.041(3) Uani 1 1 d . . .
C11 C 0.8996(6) 1.0335(18) 0.8824(3) 0.051(3) Uani 1 1 d . . .
C13 C 0.9471(7) 1.054(2) 0.9397(3) 0.060(3) Uani 1 1 d . . .
H13 H 0.9405 1.0544 0.9612 0.071 Uiso 1 1 calc R . .
C7 C 1.1286(7) 1.077(2) 0.9761(4) 0.073(4) Uani 1 1 d . . .
C21 C 0.3604(6) 1.0795(16) 0.8143(4) 0.057(3) Uani 1 1 d . . .
H21A H 0.3827 1.1438 0.8338 0.068 Uiso 1 1 calc R . .
H21B H 0.3554 1.1609 0.7959 0.068 Uiso 1 1 calc R . .
C23 C 0.1991(6) 0.9310(16) 0.8412(3) 0.045(3) Uani 1 1 d . . .
C14 C 0.7764(5) 0.9891(15) 0.8598(3) 0.041(3) Uani 1 1 d . . .
H14A H 0.7613 1.0908 0.8710 0.050 Uiso 1 1 calc R . .
H14B H 0.7732 0.8837 0.8728 0.050 Uiso 1 1 calc R . .
F2 F 1.4350(6) 1.0152(16) 1.1101(2) 0.103(4) Uani 1 1 d . . .
C22 C 0.2701(7) 0.9856(16) 0.8473(3) 0.051(3) Uani 1 1 d . . .
C16 C 0.6526(6) 0.9281(19) 0.8280(3) 0.053(3) Uani 1 1 d . . .
H16A H 0.6520 0.8246 0.8418 0.064 Uiso 1 1 calc R . .
H16B H 0.6334 1.0273 0.8383 0.064 Uiso 1 1 calc R . .
C9 C 1.0242(7) 1.073(2) 0.9020(4) 0.063(4) Uani 1 1 d . . .
H9 H 1.0699 1.0902 0.8981 0.076 Uiso 1 1 calc R . .
C26 C 0.1033(7) 0.9362(19) 0.7523(3) 0.061(4) Uani 1 1 d . . .
H26 H 0.0599 0.9167 0.7381 0.073 Uiso 1 1 calc R . .
C25 C 0.1083(6) 0.9078(16) 0.7850(3) 0.048(3) Uani 1 1 d . . .
H25 H 0.0691 0.8689 0.7931 0.057 Uiso 1 1 calc R . .
C19 C 0.4815(6) 0.9915(16) 0.8059(3) 0.048(3) Uani 1 1 d . . .
H19A H 0.5043 1.0470 0.8263 0.058 Uiso 1 1 calc R . .
H19B H 0.4765 1.0807 0.7888 0.058 Uiso 1 1 calc R . .
C28 C 0.2270(7) 1.0261(18) 0.7596(3) 0.053(3) Uani 1 1 d . . .
H28 H 0.2655 1.0661 0.7510 0.064 Uiso 1 1 calc R . .
F3 F 1.5313(5) 0.8789(16) 1.0779(2) 0.099(3) Uani 1 1 d . . .
C6 C 1.3766(7) 0.9143(19) 1.0140(3) 0.058(4) Uani 1 1 d . . .
C1 C 1.3264(7) 0.9852(18) 1.0285(3) 0.056(3) Uani 1 1 d . . .
C27 C 0.1609(8) 0.9931(19) 0.7396(3) 0.061(4) Uani 1 1 d . . .
H27 H 0.1553 1.0098 0.7171 0.073 Uiso 1 1 calc R . .
C17 C 0.6045(6) 0.8933(18) 0.7952(3) 0.048(3) Uani 1 1 d . . .
H17A H 0.6251 0.7993 0.7841 0.058 Uiso 1 1 calc R . .
H17B H 0.6022 0.9996 0.7818 0.058 Uiso 1 1 calc R . .
C20 C 0.4089(6) 0.9265(16) 0.8088(3) 0.051(3) Uani 1 1 d . . .
H20A H 0.4136 0.8437 0.8269 0.062 Uiso 1 1 calc R . .
H20B H 0.3874 0.8636 0.7889 0.062 Uiso 1 1 calc R . .
C30 C 0.3104(9) 0.992(2) 0.8792(4) 0.073(5) Uani 1 1 d . . .
H30 H 0.3584 1.0234 0.8833 0.087 Uiso 1 1 calc R . .
C18 C 0.5287(6) 0.8398(18) 0.7979(3) 0.055(3) Uani 1 1 d . . .
H18A H 0.5319 0.7498 0.8148 0.066 Uiso 1 1 calc R . .
H18B H 0.5055 0.7862 0.7774 0.066 Uiso 1 1 calc R . .
C2 C 1.3485(8) 1.023(2) 1.0605(3) 0.072(4) Uani 1 1 d . . .
C3 C 1.4162(8) 0.986(2) 1.0777(3) 0.064(4) Uani 1 1 d . . .
C10 C 0.9685(6) 1.051(2) 0.8763(3) 0.063(4) Uani 1 1 d . . .
H10 H 0.9762 1.0466 0.8550 0.076 Uiso 1 1 calc R . .
C8 C 1.0136(7) 1.0705(17) 0.9334(3) 0.054(3) Uani 1 1 d . . .
F1 F 1.3020(5) 1.0905(16) 1.0783(2) 0.097(3) Uani 1 1 d . . .
C4 C 1.4637(7) 0.915(2) 1.0620(3) 0.063(4) Uani 1 1 d . . .
C31 C 0.2761(11) 0.951(3) 0.9042(4) 0.089(6) Uani 1 1 d . . .
H31 H 0.3011 0.9591 0.9257 0.106 Uiso 1 1 calc R . .
C5 C 1.4467(8) 0.877(2) 1.0287(3) 0.065(4) Uani 1 1 d . . .
F4 F 1.4930(5) 0.8080(16) 1.0129(3) 0.101(3) Uani 1 1 d . . .
F5 F 1.3584(6) 0.8747(15) 0.98168(18) 0.105(4) Uani 1 1 d . . .
C33 C 0.1661(8) 0.8905(19) 0.8672(3) 0.060(3) Uani 1 1 d . . .
H33 H 0.1182 0.8585 0.8633 0.072 Uiso 1 1 calc R . .
C32 C 0.2051(10) 0.899(2) 0.8983(3) 0.078(5) Uani 1 1 d . . .
H32 H 0.1840 0.8682 0.9157 0.093 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C7 1.984(15) . ?
Au1 C1 2.048(12) . ?
Au1 Au1 3.3575(14) 7_777 ?
O1 C11 1.348(14) . ?
O1 C14 1.428(13) . ?
C15 C14 1.515(16) . ?
C15 C16 1.519(17) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
N2 C29 1.371(14) . ?
N2 C22 1.392(18) . ?
N2 C21 1.437(15) . ?
C24 C29 1.402(16) . ?
C24 C25 1.413(15) . ?
C24 C23 1.445(16) . ?
N1 C7 1.132(17) . ?
N1 C8 1.415(15) . ?
C12 C13 1.369(18) . ?
C12 C11 1.382(18) . ?
C12 H12 0.9300 . ?
C29 C28 1.393(17) . ?
C11 C10 1.397(18) . ?
C13 C8 1.356(19) . ?
C13 H13 0.9300 . ?
C21 C20 1.524(17) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C23 C33 1.391(18) . ?
C23 C22 1.392(17) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
F2 C3 1.343(14) . ?
C22 C30 1.396(17) . ?
C16 C17 1.510(16) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C9 C10 1.360(18) . ?
C9 C8 1.36(2) . ?
C9 H9 0.9300 . ?
C26 C25 1.363(18) . ?
C26 C27 1.38(2) . ?
C26 H26 0.9300 . ?
C25 H25 0.9300 . ?
C19 C20 1.499(17) . ?
C19 C18 1.533(17) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C28 C27 1.389(18) . ?
C28 H28 0.9300 . ?
F3 C4 1.358(14) . ?
C6 C1 1.34(2) . ?
C6 F5 1.356(13) . ?
C6 C5 1.39(2) . ?
C1 C2 1.347(19) . ?
C27 H27 0.9300 . ?
C17 C18 1.530(17) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C30 C31 1.38(3) . ?
C30 H30 0.9300 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C2 F1 1.364(18) . ?
C2 C3 1.38(2) . ?
C3 C4 1.33(2) . ?
C10 H10 0.9300 . ?
C4 C5 1.388(19) . ?
C31 C32 1.39(3) . ?
C31 H31 0.9300 . ?
C5 F4 1.313(17) . ?
C33 C32 1.36(2) . ?
C33 H33 0.9300 . ?
C32 H32 0.9300 . ?

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 176.0(6) . . ?
C7 Au1 Au1 93.4(5) . 7_777 ?
C1 Au1 Au1 88.4(4) . 7_777 ?
C11 O1 C14 118.0(9) . . ?
C14 C15 C16 111.8(10) . . ?
C14 C15 H15A 109.2 . . ?
C16 C15 H15A 109.2 . . ?
C14 C15 H15B 109.2 . . ?
C16 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C29 N2 C22 108.1(10) . . ?
C29 N2 C21 126.1(11) . . ?
C22 N2 C21 125.8(11) . . ?
C29 C24 C25 119.4(11) . . ?
C29 C24 C23 106.8(9) . . ?
C25 C24 C23 133.8(11) . . ?
C7 N1 C8 170.8(16) . . ?
C13 C12 C11 120.3(13) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
N2 C29 C28 128.7(11) . . ?
N2 C29 C24 109.4(10) . . ?
C28 C29 C24 121.9(10) . . ?
O1 C11 C12 126.0(11) . . ?
O1 C11 C10 114.8(11) . . ?
C12 C11 C10 119.2(11) . . ?
C8 C13 C12 119.7(13) . . ?
C8 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
N1 C7 Au1 170.5(15) . . ?
N2 C21 C20 112.9(10) . . ?
N2 C21 H21A 109.0 . . ?
C20 C21 H21A 109.0 . . ?
N2 C21 H21B 109.0 . . ?
C20 C21 H21B 109.0 . . ?
H21A C21 H21B 107.8 . . ?
C33 C23 C22 120.0(12) . . ?
C33 C23 C24 133.8(12) . . ?
C22 C23 C24 106.1(10) . . ?
O1 C14 C15 107.5(10) . . ?
O1 C14 H14A 110.2 . . ?
C15 C14 H14A 110.2 . . ?
O1 C14 H14B 110.2 . . ?
C15 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
C23 C22 N2 109.6(10) . . ?
C23 C22 C30 121.2(14) . . ?
N2 C22 C30 129.1(14) . . ?
C17 C16 C15 114.1(11) . . ?
C17 C16 H16A 108.7 . . ?
C15 C16 H16A 108.7 . . ?
C17 C16 H16B 108.7 . . ?
C15 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
C10 C9 C8 120.6(13) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C25 C26 C27 121.9(11) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 H26 119.0 . . ?
C26 C25 C24 118.2(12) . . ?
C26 C25 H25 120.9 . . ?
C24 C25 H25 120.9 . . ?
C20 C19 C18 111.7(10) . . ?
C20 C19 H19A 109.3 . . ?
C18 C19 H19A 109.3 . . ?
C20 C19 H19B 109.3 . . ?
C18 C19 H19B 109.3 . . ?
H19A C19 H19B 107.9 . . ?
C27 C28 C29 116.9(12) . . ?
C27 C28 H28 121.6 . . ?
C29 C28 H28 121.6 . . ?
C1 C6 F5 118.0(12) . . ?
C1 C6 C5 126.6(12) . . ?
F5 C6 C5 115.4(14) . . ?
C6 C1 C2 114.8(12) . . ?
C6 C1 Au1 122.0(9) . . ?
C2 C1 Au1 123.2(11) . . ?
C26 C27 C28 121.7(12) . . ?
C26 C27 H27 119.2 . . ?
C28 C27 H27 119.2 . . ?
C16 C17 C18 113.1(11) . . ?
C16 C17 H17A 109.0 . . ?
C18 C17 H17A 109.0 . . ?
C16 C17 H17B 109.0 . . ?
C18 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
C19 C20 C21 111.5(10) . . ?
C19 C20 H20A 109.3 . . ?
C21 C20 H20A 109.3 . . ?
C19 C20 H20B 109.3 . . ?
C21 C20 H20B 109.3 . . ?
H20A C20 H20B 108.0 . . ?
C31 C30 C22 117.1(16) . . ?
C31 C30 H30 121.4 . . ?
C22 C30 H30 121.4 . . ?
C17 C18 C19 115.4(11) . . ?
C17 C18 H18A 108.4 . . ?
C19 C18 H18A 108.4 . . ?
C17 C18 H18B 108.4 . . ?
C19 C18 H18B 108.4 . . ?
H18A C18 H18B 107.5 . . ?
C1 C2 F1 120.5(13) . . ?
C1 C2 C3 123.2(14) . . ?
F1 C2 C3 116.1(13) . . ?
C4 C3 F2 119.1(13) . . ?
C4 C3 C2 119.2(12) . . ?
F2 C3 C2 121.6(15) . . ?
C9 C10 C11 119.2(13) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
C13 C8 C9 120.9(11) . . ?
C13 C8 N1 121.6(13) . . ?
C9 C8 N1 117.4(12) . . ?
C3 C4 F3 121.0(13) . . ?
C3 C4 C5 121.7(13) . . ?
F3 C4 C5 117.2(15) . . ?
C30 C31 C32 121.8(13) . . ?
C30 C31 H31 119.1 . . ?
C32 C31 H31 119.1 . . ?
F4 C5 C6 123.1(13) . . ?
F4 C5 C4 122.4(14) . . ?
C6 C5 C4 114.4(14) . . ?
C32 C33 C23 118.9(15) . . ?
C32 C33 H33 120.6 . . ?
C23 C33 H33 120.6 . . ?
C33 C32 C31 120.9(15) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?

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
C22 N2 C29 C28 175.9(12) . . . . ?
C21 N2 C29 C28 -2(2) . . . . ?
C22 N2 C29 C24 -1.8(13) . . . . ?
C21 N2 C29 C24 -180.0(11) . . . . ?
C25 C24 C29 N2 178.9(11) . . . . ?
C23 C24 C29 N2 0.7(13) . . . . ?
C25 C24 C29 C28 1.0(17) . . . . ?
C23 C24 C29 C28 -177.3(11) . . . . ?
C14 O1 C11 C12 -1(2) . . . . ?
C14 O1 C11 C10 177.9(11) . . . . ?
C13 C12 C11 O1 178.8(13) . . . . ?
C13 C12 C11 C10 0(2) . . . . ?
C11 C12 C13 C8 0(2) . . . . ?
C8 N1 C7 Au1 -50(17) . . . . ?
C1 Au1 C7 N1 22(17) . . . . ?
Au1 Au1 C7 N1 140(9) 7_777 . . . ?
C29 N2 C21 C20 -88.3(15) . . . . ?
C22 N2 C21 C20 93.9(15) . . . . ?
C29 C24 C23 C33 177.3(14) . . . . ?
C25 C24 C23 C33 -1(2) . . . . ?
C29 C24 C23 C22 0.7(13) . . . . ?
C25 C24 C23 C22 -177.2(13) . . . . ?
C11 O1 C14 C15 -179.8(11) . . . . ?
C16 C15 C14 O1 175.5(10) . . . . ?
C33 C23 C22 N2 -179.0(11) . . . . ?
C24 C23 C22 N2 -1.8(14) . . . . ?
C33 C23 C22 C30 3.2(19) . . . . ?
C24 C23 C22 C30 -179.7(12) . . . . ?
C29 N2 C22 C23 2.3(14) . . . . ?
C21 N2 C22 C23 -179.5(11) . . . . ?
C29 N2 C22 C30 179.9(13) . . . . ?
C21 N2 C22 C30 -2(2) . . . . ?
C14 C15 C16 C17 -175.6(11) . . . . ?
C27 C26 C25 C24 0(2) . . . . ?
C29 C24 C25 C26 -0.5(17) . . . . ?
C23 C24 C25 C26 177.1(13) . . . . ?
N2 C29 C28 C27 -178.7(12) . . . . ?
C24 C29 C28 C27 -1.2(18) . . . . ?
F5 C6 C1 C2 -179.2(14) . . . . ?
C5 C6 C1 C2 0(2) . . . . ?
F5 C6 C1 Au1 -1(2) . . . . ?
C5 C6 C1 Au1 178.6(12) . . . . ?
C7 Au1 C1 C6 19(10) . . . . ?
Au1 Au1 C1 C6 -98.1(13) 7_777 . . . ?
C7 Au1 C1 C2 -163(9) . . . . ?
Au1 Au1 C1 C2 79.8(14) 7_777 . . . ?
C25 C26 C27 C28 -1(2) . . . . ?
C29 C28 C27 C26 1(2) . . . . ?
C15 C16 C17 C18 176.1(11) . . . . ?
C18 C19 C20 C21 -176.0(11) . . . . ?
N2 C21 C20 C19 -178.8(11) . . . . ?
C23 C22 C30 C31 -3(2) . . . . ?
N2 C22 C30 C31 179.6(14) . . . . ?
C16 C17 C18 C19 75.0(14) . . . . ?
C20 C19 C18 C17 -178.8(11) . . . . ?
C6 C1 C2 F1 -178.0(15) . . . . ?
Au1 C1 C2 F1 4(2) . . . . ?
C6 C1 C2 C3 -3(2) . . . . ?
Au1 C1 C2 C3 179.1(12) . . . . ?
C1 C2 C3 C4 3(3) . . . . ?
F1 C2 C3 C4 178.1(15) . . . . ?
C1 C2 C3 F2 -175.8(15) . . . . ?
F1 C2 C3 F2 0(2) . . . . ?
C8 C9 C10 C11 3(2) . . . . ?
O1 C11 C10 C9 179.4(14) . . . . ?
C12 C11 C10 C9 -2(2) . . . . ?
C12 C13 C8 C9 1(2) . . . . ?
C12 C13 C8 N1 -175.5(14) . . . . ?
C10 C9 C8 C13 -3(2) . . . . ?
C10 C9 C8 N1 173.9(14) . . . . ?
C7 N1 C8 C13 162(10) . . . . ?
C7 N1 C8 C9 -15(11) . . . . ?
F2 C3 C4 F3 -3(2) . . . . ?
C2 C3 C4 F3 178.8(14) . . . . ?
F2 C3 C4 C5 178.3(14) . . . . ?
C2 C3 C4 C5 0(2) . . . . ?
C22 C30 C31 C32 2(2) . . . . ?
C1 C6 C5 F4 -179.8(15) . . . . ?
F5 C6 C5 F4 0(2) . . . . ?
C1 C6 C5 C4 2(2) . . . . ?
F5 C6 C5 C4 -178.6(13) . . . . ?
C3 C4 C5 F4 179.7(15) . . . . ?
F3 C4 C5 F4 1(2) . . . . ?
C3 C4 C5 C6 -2(2) . . . . ?
F3 C4 C5 C6 179.1(13) . . . . ?
C22 C23 C33 C32 -3(2) . . . . ?
C24 C23 C33 C32 -178.8(14) . . . . ?
C23 C33 C32 C31 2(2) . . . . ?
C30 C31 C32 C33 -2(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.519
_refine_diff_density_min         -2.178
_refine_diff_density_rms         0.178
