# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_e140221e_work_mo_140221e_0m
_database_code_depnum_ccdc_archive 'CCDC 1044227'
_audit_update_record             
;
2015-08-27 deposited with the CCDC.
2015-09-10 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_e131103h_work_mo_131103h_0m
_database_code_depnum_ccdc_archive 'CCDC 1044242'
_audit_update_record             
;
2015-08-27 deposited with the CCDC.
2015-09-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H26 Au Cl2 F5 N2 O'
_chemical_formula_weight         817.41

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'
Cl Cl 0.1484 0.1585 '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                   18.712(4)
_cell_length_b                   8.2180(16)
_cell_length_c                   21.103(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.175(2)
_cell_angle_gamma                90.00
_cell_volume                     2960.5(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9891
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      31.92

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1592
_exptl_absorpt_coefficient_mu    5.211
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5736
_exptl_absorpt_correction_T_max  0.6238
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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            28688
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0314
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.19
_diffrn_reflns_theta_max         30.00
_reflns_number_total             8617
_reflns_number_gt                7662
_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)+(0.0387P)²+1.5484P] 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         8617
_refine_ls_number_parameters     388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0260
_refine_ls_wR_factor_ref         0.0710
_refine_ls_wR_factor_gt          0.0681
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.006
_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 0.518196(6) -0.300400(12) 0.544130(5) 0.01877(4) Uani 1 1 d . . .
C1 C 1.14154(14) 0.6242(3) 0.26677(12) 0.0151(4) Uani 1 1 d . . .
C2 C 1.21414(15) 0.5993(3) 0.32182(13) 0.0198(5) Uani 1 1 d . . .
H2 H 1.2250 0.6395 0.3671 0.024 Uiso 1 1 calc R . .
C3 C 1.27004(16) 0.5134(4) 0.30783(14) 0.0234(5) Uani 1 1 d . . .
H3 H 1.3201 0.4945 0.3443 0.028 Uiso 1 1 calc R . .
C4 C 1.25441(17) 0.4540(3) 0.24131(15) 0.0241(5) Uani 1 1 d . . .
H4 H 1.2940 0.3967 0.2333 0.029 Uiso 1 1 calc R . .
C5 C 1.18206(17) 0.4777(3) 0.18710(13) 0.0216(5) Uani 1 1 d . . .
H5 H 1.1715 0.4364 0.1421 0.026 Uiso 1 1 calc R . .
C6 C 1.12470(15) 0.5636(3) 0.19981(12) 0.0173(5) Uani 1 1 d . . .
C7 C 1.04512(15) 0.6119(3) 0.15754(13) 0.0184(5) Uani 1 1 d . . .
C8 C 0.99488(18) 0.5866(4) 0.08790(13) 0.0271(6) Uani 1 1 d . . .
H8 H 1.0121 0.5280 0.0579 0.033 Uiso 1 1 calc R . .
C9 C 0.91935(19) 0.6488(4) 0.06336(15) 0.0322(7) Uani 1 1 d . . .
H9 H 0.8848 0.6332 0.0160 0.039 Uiso 1 1 calc R . .
C10 C 0.89354(18) 0.7337(4) 0.10717(16) 0.0288(6) Uani 1 1 d . . .
H10 H 0.8413 0.7735 0.0892 0.035 Uiso 1 1 calc R . .
C11 C 0.94203(16) 0.7616(3) 0.17628(15) 0.0221(5) Uani 1 1 d . . .
H11 H 0.9242 0.8205 0.2058 0.027 Uiso 1 1 calc R . .
C12 C 1.01807(15) 0.6997(3) 0.20083(13) 0.0171(5) Uani 1 1 d . . .
C13 C 1.07568(16) 0.7961(3) 0.32599(13) 0.0173(5) Uani 1 1 d . . .
H13A H 1.0377 0.8866 0.3085 0.021 Uiso 1 1 calc R . .
H13B H 1.1280 0.8444 0.3525 0.021 Uiso 1 1 calc R . .
C14 C 1.05364(15) 0.6925(3) 0.37496(13) 0.0174(5) Uani 1 1 d . . .
H14A H 1.0619 0.7569 0.4170 0.021 Uiso 1 1 calc R . .
H14B H 1.0889 0.5970 0.3896 0.021 Uiso 1 1 calc R . .
C15 C 0.96899(14) 0.6334(3) 0.34248(13) 0.0166(4) Uani 1 1 d . . .
H15A H 0.9617 0.5627 0.3023 0.020 Uiso 1 1 calc R . .
H15B H 0.9339 0.7285 0.3249 0.020 Uiso 1 1 calc R . .
C16 C 0.94536(15) 0.5393(3) 0.39321(13) 0.0176(5) Uani 1 1 d . . .
H16A H 0.9810 0.4454 0.4118 0.021 Uiso 1 1 calc R . .
H16B H 0.9508 0.6107 0.4327 0.021 Uiso 1 1 calc R . .
C17 C 0.86115(14) 0.4784(3) 0.35819(13) 0.0180(5) Uani 1 1 d . . .
H17A H 0.8254 0.5730 0.3424 0.022 Uiso 1 1 calc R . .
H17B H 0.8550 0.4137 0.3167 0.022 Uiso 1 1 calc R . .
C18 C 0.83799(14) 0.3756(3) 0.40557(13) 0.0188(5) Uani 1 1 d . . .
H18A H 0.8734 0.2808 0.4223 0.023 Uiso 1 1 calc R . .
H18B H 0.8411 0.4399 0.4463 0.023 Uiso 1 1 calc R . .
C19 C 0.72589(15) 0.2192(3) 0.39698(13) 0.0158(5) Uani 1 1 d . . .
C20 C 0.76136(16) 0.1741(4) 0.46675(14) 0.0224(5) Uani 1 1 d . . .
H20 H 0.8123 0.2127 0.4953 0.027 Uiso 1 1 calc R . .
C21 C 0.72212(16) 0.0727(4) 0.49433(13) 0.0233(5) Uani 1 1 d . . .
H21 H 0.7458 0.0419 0.5419 0.028 Uiso 1 1 calc R . .
C22 C 0.64819(15) 0.0170(3) 0.45197(13) 0.0182(5) Uani 1 1 d . . .
C23 C 0.61287(15) 0.0579(3) 0.38173(13) 0.0190(5) Uani 1 1 d . . .
H23 H 0.5624 0.0169 0.3531 0.023 Uiso 1 1 calc R . .
C24 C 0.65193(15) 0.1584(3) 0.35450(13) 0.0181(5) Uani 1 1 d . . .
H24 H 0.6286 0.1866 0.3067 0.022 Uiso 1 1 calc R . .
C25 C 0.57644(17) -0.1628(4) 0.50527(15) 0.0225(5) Uani 1 1 d . . .
C26 C 0.45371(14) -0.4360(3) 0.58138(12) 0.0153(4) Uani 1 1 d . . .
C27 C 0.37683(15) -0.4760(3) 0.53949(12) 0.0184(5) Uani 1 1 d . . .
C28 C 0.32954(15) -0.5663(4) 0.56166(14) 0.0222(5) Uani 1 1 d . . .
C29 C 0.35832(16) -0.6204(3) 0.62903(15) 0.0217(5) Uani 1 1 d . . .
C30 C 0.43423(16) -0.5840(4) 0.67308(13) 0.0223(5) Uani 1 1 d . . .
C31 C 0.47970(14) -0.4944(3) 0.64882(12) 0.0190(5) Uani 1 1 d . . .
C32 C 0.6756(3) 0.0231(9) 0.7028(2) 0.0767(19) Uani 1 1 d . . .
H32A H 0.6545 -0.0674 0.7210 0.092 Uiso 1 1 calc R . .
H32B H 0.7046 0.0967 0.7421 0.092 Uiso 1 1 calc R . .
Cl1 Cl 0.59784(6) 0.12925(12) 0.64181(5) 0.0493(2) Uani 1 1 d . . .
Cl2 Cl 0.74135(5) -0.05680(10) 0.67090(4) 0.03611(17) Uani 1 1 d . . .
F1 F 0.34563(10) -0.4258(2) 0.47278(8) 0.0297(4) Uani 1 1 d . . .
F2 F 0.25538(10) -0.6016(3) 0.51817(10) 0.0361(4) Uani 1 1 d . . .
F3 F 0.31227(12) -0.7059(2) 0.65169(11) 0.0353(4) Uani 1 1 d . . .
F4 F 0.46199(12) -0.6371(3) 0.73896(9) 0.0388(5) Uani 1 1 d . . .
F5 F 0.55358(9) -0.4622(2) 0.69483(8) 0.0313(4) Uani 1 1 d . . .
N1 N 1.07741(13) 0.7073(2) 0.26692(11) 0.0152(4) Uani 1 1 d . . .
N2 N 0.60837(13) -0.0827(3) 0.48069(11) 0.0202(4) Uani 1 1 d . . .
O1 O 0.75867(11) 0.3220(2) 0.36604(10) 0.0189(4) 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 1.967(3) . ?
Au1 C26 2.023(2) . ?
C1 N1 1.382(3) . ?
C1 C2 1.394(3) . ?
C1 C6 1.407(3) . ?
C2 C3 1.390(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.399(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.399(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.443(4) . ?
C7 C8 1.398(3) . ?
C7 C12 1.411(4) . ?
C8 C9 1.388(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.393(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.396(4) . ?
C11 H11 0.9500 . ?
C12 N1 1.383(3) . ?
C13 N1 1.456(3) . ?
C13 C14 1.521(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.525(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.526(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.525(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.502(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 O1 1.442(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 O1 1.358(3) . ?
C19 C20 1.395(4) . ?
C19 C24 1.397(3) . ?
C20 C21 1.386(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.382(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.395(3) . ?
C22 N2 1.401(3) . ?
C23 C24 1.375(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 N2 1.146(4) . ?
C26 C27 1.385(3) . ?
C26 C31 1.388(3) . ?
C27 F1 1.349(3) . ?
C27 C28 1.375(4) . ?
C28 F2 1.345(3) . ?
C28 C29 1.372(4) . ?
C29 F3 1.343(3) . ?
C29 C30 1.375(4) . ?
C30 F4 1.342(3) . ?
C30 C31 1.373(4) . ?
C31 F5 1.351(3) . ?
C32 Cl1 1.732(4) . ?
C32 Cl2 1.754(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C25 Au1 C26 177.32(11) . . ?
N1 C1 C2 128.4(2) . . ?
N1 C1 C6 109.9(2) . . ?
C2 C1 C6 121.7(2) . . ?
C3 C2 C1 117.3(2) . . ?
C3 C2 H2 121.4 . . ?
C1 C2 H2 121.4 . . ?
C2 C3 C4 121.6(2) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C5 C4 C3 120.8(2) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 118.7(2) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
C5 C6 C1 119.8(2) . . ?
C5 C6 C7 134.3(2) . . ?
C1 C6 C7 105.9(2) . . ?
C8 C7 C12 119.5(3) . . ?
C8 C7 C6 133.5(3) . . ?
C12 C7 C6 107.1(2) . . ?
C9 C8 C7 118.7(3) . . ?
C9 C8 H8 120.6 . . ?
C7 C8 H8 120.6 . . ?
C8 C9 C10 120.9(3) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.5 . . ?
C11 C10 C9 121.7(3) . . ?
C11 C10 H10 119.1 . . ?
C9 C10 H10 119.1 . . ?
C10 C11 C12 117.3(3) . . ?
C10 C11 H11 121.3 . . ?
C12 C11 H11 121.3 . . ?
N1 C12 C11 129.3(2) . . ?
N1 C12 C7 108.9(2) . . ?
C11 C12 C7 121.8(2) . . ?
N1 C13 C14 114.1(2) . . ?
N1 C13 H13A 108.7 . . ?
C14 C13 H13A 108.7 . . ?
N1 C13 H13B 108.7 . . ?
C14 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C13 C14 C15 113.2(2) . . ?
C13 C14 H14A 108.9 . . ?
C15 C14 H14A 108.9 . . ?
C13 C14 H14B 108.9 . . ?
C15 C14 H14B 108.9 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 C16 113.1(2) . . ?
C14 C15 H15A 109.0 . . ?
C16 C15 H15A 109.0 . . ?
C14 C15 H15B 109.0 . . ?
C16 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
C17 C16 C15 111.4(2) . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C18 C17 C16 112.6(2) . . ?
C18 C17 H17A 109.1 . . ?
C16 C17 H17A 109.1 . . ?
C18 C17 H17B 109.1 . . ?
C16 C17 H17B 109.1 . . ?
H17A C17 H17B 107.8 . . ?
O1 C18 C17 107.22(19) . . ?
O1 C18 H18A 110.3 . . ?
C17 C18 H18A 110.3 . . ?
O1 C18 H18B 110.3 . . ?
C17 C18 H18B 110.3 . . ?
H18A C18 H18B 108.5 . . ?
O1 C19 C20 124.0(2) . . ?
O1 C19 C24 115.9(2) . . ?
C20 C19 C24 120.0(2) . . ?
C21 C20 C19 119.9(2) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C22 C21 C20 119.3(2) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C21 C22 C23 121.4(2) . . ?
C21 C22 N2 118.9(2) . . ?
C23 C22 N2 119.8(2) . . ?
C24 C23 C22 119.2(2) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
C23 C24 C19 120.2(2) . . ?
C23 C24 H24 119.9 . . ?
C19 C24 H24 119.9 . . ?
N2 C25 Au1 177.9(3) . . ?
C27 C26 C31 114.1(2) . . ?
C27 C26 Au1 120.79(18) . . ?
C31 C26 Au1 125.08(18) . . ?
F1 C27 C28 117.1(2) . . ?
F1 C27 C26 119.1(2) . . ?
C28 C27 C26 123.8(2) . . ?
F2 C28 C29 119.6(3) . . ?
F2 C28 C27 120.8(2) . . ?
C29 C28 C27 119.6(2) . . ?
F3 C29 C28 120.1(3) . . ?
F3 C29 C30 120.6(3) . . ?
C28 C29 C30 119.2(2) . . ?
F4 C30 C31 121.6(3) . . ?
F4 C30 C29 119.0(2) . . ?
C31 C30 C29 119.4(2) . . ?
F5 C31 C30 116.4(2) . . ?
F5 C31 C26 119.7(2) . . ?
C30 C31 C26 123.9(2) . . ?
Cl1 C32 Cl2 114.3(2) . . ?
Cl1 C32 H32A 108.7 . . ?
Cl2 C32 H32A 108.7 . . ?
Cl1 C32 H32B 108.7 . . ?
Cl2 C32 H32B 108.7 . . ?
H32A C32 H32B 107.6 . . ?
C1 N1 C12 108.3(2) . . ?
C1 N1 C13 125.0(2) . . ?
C12 N1 C13 126.6(2) . . ?
C25 N2 C22 178.8(3) . . ?
C19 O1 C18 118.20(19) . . ?

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
N1 C1 C2 C3 -178.7(3) . . . . ?
C6 C1 C2 C3 0.8(4) . . . . ?
C1 C2 C3 C4 0.0(4) . . . . ?
C2 C3 C4 C5 -0.6(4) . . . . ?
C3 C4 C5 C6 0.5(4) . . . . ?
C4 C5 C6 C1 0.2(4) . . . . ?
C4 C5 C6 C7 179.5(3) . . . . ?
N1 C1 C6 C5 178.7(2) . . . . ?
C2 C1 C6 C5 -0.9(4) . . . . ?
N1 C1 C6 C7 -0.7(3) . . . . ?
C2 C1 C6 C7 179.7(2) . . . . ?
C5 C6 C7 C8 2.0(5) . . . . ?
C1 C6 C7 C8 -178.7(3) . . . . ?
C5 C6 C7 C12 -179.0(3) . . . . ?
C1 C6 C7 C12 0.3(3) . . . . ?
C12 C7 C8 C9 -0.1(4) . . . . ?
C6 C7 C8 C9 178.7(3) . . . . ?
C7 C8 C9 C10 -0.5(4) . . . . ?
C8 C9 C10 C11 1.0(5) . . . . ?
C9 C10 C11 C12 -0.6(4) . . . . ?
C10 C11 C12 N1 -178.8(3) . . . . ?
C10 C11 C12 C7 -0.1(4) . . . . ?
C8 C7 C12 N1 179.4(2) . . . . ?
C6 C7 C12 N1 0.3(3) . . . . ?
C8 C7 C12 C11 0.4(4) . . . . ?
C6 C7 C12 C11 -178.7(2) . . . . ?
N1 C13 C14 C15 -67.4(3) . . . . ?
C13 C14 C15 C16 -176.1(2) . . . . ?
C14 C15 C16 C17 -178.4(2) . . . . ?
C15 C16 C17 C18 176.1(2) . . . . ?
C16 C17 C18 O1 -178.3(2) . . . . ?
O1 C19 C20 C21 177.7(3) . . . . ?
C24 C19 C20 C21 -1.9(4) . . . . ?
C19 C20 C21 C22 0.3(4) . . . . ?
C20 C21 C22 C23 1.3(4) . . . . ?
C20 C21 C22 N2 -178.7(3) . . . . ?
C21 C22 C23 C24 -1.3(4) . . . . ?
N2 C22 C23 C24 178.7(2) . . . . ?
C22 C23 C24 C19 -0.4(4) . . . . ?
O1 C19 C24 C23 -177.7(2) . . . . ?
C20 C19 C24 C23 1.9(4) . . . . ?
C26 Au1 C25 N2 -36(8) . . . . ?
C25 Au1 C26 C27 35(2) . . . . ?
C25 Au1 C26 C31 -144(2) . . . . ?
C31 C26 C27 F1 -179.8(2) . . . . ?
Au1 C26 C27 F1 1.2(3) . . . . ?
C31 C26 C27 C28 -0.3(4) . . . . ?
Au1 C26 C27 C28 -179.3(2) . . . . ?
F1 C27 C28 F2 -0.2(4) . . . . ?
C26 C27 C28 F2 -179.7(2) . . . . ?
F1 C27 C28 C29 -180.0(2) . . . . ?
C26 C27 C28 C29 0.6(4) . . . . ?
F2 C28 C29 F3 -1.1(4) . . . . ?
C27 C28 C29 F3 178.7(2) . . . . ?
F2 C28 C29 C30 179.9(3) . . . . ?
C27 C28 C29 C30 -0.3(4) . . . . ?
F3 C29 C30 F4 0.9(4) . . . . ?
C28 C29 C30 F4 179.9(3) . . . . ?
F3 C29 C30 C31 -179.1(2) . . . . ?
C28 C29 C30 C31 -0.1(4) . . . . ?
F4 C30 C31 F5 -0.3(4) . . . . ?
C29 C30 C31 F5 179.7(2) . . . . ?
F4 C30 C31 C26 -179.7(3) . . . . ?
C29 C30 C31 C26 0.3(4) . . . . ?
C27 C26 C31 F5 -179.5(2) . . . . ?
Au1 C26 C31 F5 -0.5(4) . . . . ?
C27 C26 C31 C30 -0.1(4) . . . . ?
Au1 C26 C31 C30 178.9(2) . . . . ?
C2 C1 N1 C12 -179.5(2) . . . . ?
C6 C1 N1 C12 0.9(3) . . . . ?
C2 C1 N1 C13 4.2(4) . . . . ?
C6 C1 N1 C13 -175.4(2) . . . . ?
C11 C12 N1 C1 178.1(3) . . . . ?
C7 C12 N1 C1 -0.7(3) . . . . ?
C11 C12 N1 C13 -5.7(4) . . . . ?
C7 C12 N1 C13 175.5(2) . . . . ?
C14 C13 N1 C1 -87.5(3) . . . . ?
C14 C13 N1 C12 96.8(3) . . . . ?
Au1 C25 N2 C22 146(11) . . . . ?
C21 C22 N2 C25 30(14) . . . . ?
C23 C22 N2 C25 -150(14) . . . . ?
C20 C19 O1 C18 6.4(4) . . . . ?
C24 C19 O1 C18 -174.0(2) . . . . ?
C17 C18 O1 C19 176.5(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        30.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.061
_refine_diff_density_min         -1.887
_refine_diff_density_rms         0.121
