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

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

data_mo_51016b
_database_code_depnum_ccdc_archive 'CCDC 1440090'
_audit_update_record             
;
2015-12-02 deposited with the CCDC.
2017-09-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H55 Au2 Cl2 N3 O'
_chemical_formula_weight         1010.66

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'
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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   12.7762(14)
_cell_length_b                   17.0556(19)
_cell_length_c                   18.581(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4048.9(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8215
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      23.24

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_F_000             1968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    7.399
_shelx_estimated_absorpt_T_min   0.349
_shelx_estimated_absorpt_T_max   0.625
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.598
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            35920
_diffrn_reflns_av_unetI/netI     0.0489
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.934
_diffrn_reflns_theta_max         26.612
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8474
_reflns_number_gt                7222
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.801
_reflns_Friedel_fraction_max     0.996
_reflns_Friedel_fraction_full    0.998

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_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-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
; 
 w=1/[σ²(Fo²)+(0.0116P)²] 
 where P=(Fo²+2Fc²)/3 
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 2932 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_abs_structure_Flack   -0.006(6)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         8474
_refine_ls_number_parameters     416
_refine_ls_number_restraints     26
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0264
_refine_ls_wR_factor_ref         0.0514
_refine_ls_wR_factor_gt          0.0479
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.005
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.69292(2) 0.77099(2) 0.22571(2) 0.04015(8) Uani 1 1 d . . . . .
Au2 Au 0.93988(2) 0.69645(2) 0.14258(2) 0.03573(8) Uani 1 1 d . . . . .
Cl1 Cl 0.53054(15) 0.71283(13) 0.22776(15) 0.0692(7) Uani 1 1 d . . . . .
Cl2 Cl 0.97951(18) 0.57629(12) 0.09242(13) 0.0553(6) Uani 1 1 d . . . . .
N1 N 1.0102(4) 0.9174(3) 0.2349(3) 0.0351(14) Uani 1 1 d . . . . .
N2 N 0.8371(4) 0.8966(3) 0.2639(3) 0.0306(13) Uani 1 1 d . . . . .
N3 N 0.7315(5) 0.7248(5) 0.9510(4) 0.0464(17) Uani 1 1 d D . . . .
H3 H 0.689(5) 0.706(4) 0.918(3) 0.056 Uiso 1 1 d D U . . .
O1 O 1.0915(4) 0.8414(3) 0.1533(3) 0.0575(16) Uani 1 1 d . . . . .
C1 C 0.8314(5) 0.8248(4) 0.2245(4) 0.0311(15) Uani 1 1 d . . . . .
C2 C 0.9204(5) 0.8014(4) 0.1898(3) 0.0327(15) Uani 1 1 d . . . . .
C3 C 1.0114(6) 0.8499(5) 0.1889(4) 0.0377(18) Uani 1 1 d . . . . .
C4 C 0.9234(6) 0.9368(4) 0.2703(4) 0.0334(16) Uani 1 1 d D . . . .
H4 H 0.927(6) 0.983(2) 0.294(3) 0.040 Uiso 1 1 d D U . . .
C5 C 1.1044(6) 0.9644(4) 0.2433(4) 0.0371(18) Uani 1 1 d . . . . .
C6 C 1.1123(6) 1.0339(5) 0.2036(5) 0.046(2) Uani 1 1 d . . . . .
C7 C 1.2055(8) 1.0754(5) 0.2112(6) 0.067(3) Uani 1 1 d . . . . .
H7 H 1.2135 1.1225 0.1866 0.080 Uiso 1 1 calc R U . . .
C8 C 1.2847(7) 1.0496(5) 0.2532(6) 0.074(3) Uani 1 1 d . . . . .
H8 H 1.3466 1.0780 0.2560 0.088 Uiso 1 1 calc R U . . .
C9 C 1.2736(7) 0.9809(6) 0.2920(6) 0.069(3) Uani 1 1 d . . . . .
H9 H 1.3280 0.9639 0.3214 0.083 Uiso 1 1 calc R U . . .
C10 C 1.1819(7) 0.9370(5) 0.2876(5) 0.049(2) Uani 1 1 d . . . . .
C11 C 1.0256(8) 1.0625(5) 0.1543(5) 0.062(3) Uani 1 1 d . . . . .
H11 H 0.9608 1.0369 0.1702 0.074 Uiso 1 1 calc R U . . .
C12 C 1.0067(9) 1.1496(6) 0.1577(7) 0.096(4) Uani 1 1 d . . . . .
H12A H 1.0593 1.1763 0.1301 0.144 Uiso 1 1 calc R U . . .
H12B H 1.0098 1.1668 0.2068 0.144 Uiso 1 1 calc R U . . .
H12C H 0.9388 1.1613 0.1382 0.144 Uiso 1 1 calc R U . . .
C13 C 1.0425(17) 1.0395(11) 0.0795(8) 0.208(10) Uani 1 1 d . U . . .
H13A H 1.1030 1.0660 0.0610 0.312 Uiso 1 1 calc R U . . .
H13B H 0.9823 1.0534 0.0514 0.312 Uiso 1 1 calc R U . . .
H13C H 1.0533 0.9838 0.0770 0.312 Uiso 1 1 calc R U . . .
C14 C 1.1724(9) 0.8639(6) 0.3335(6) 0.074(3) Uani 1 1 d . . . . .
H14 H 1.1090 0.8366 0.3176 0.089 Uiso 1 1 calc R U . . .
C15 C 1.2591(12) 0.8074(7) 0.3270(8) 0.141(6) Uani 1 1 d . U . . .
H15A H 1.2803 0.8037 0.2776 0.212 Uiso 1 1 calc R U . . .
H15B H 1.2363 0.7569 0.3436 0.212 Uiso 1 1 calc R U . . .
H15C H 1.3171 0.8248 0.3557 0.212 Uiso 1 1 calc R U . . .
C16 C 1.1574(15) 0.8827(9) 0.4102(9) 0.172(9) Uani 1 1 d . U . . .
H16A H 1.2176 0.9104 0.4279 0.258 Uiso 1 1 calc R U . . .
H16B H 1.1484 0.8351 0.4371 0.258 Uiso 1 1 calc R U . . .
H16C H 1.0963 0.9150 0.4157 0.258 Uiso 1 1 calc R U . . .
C17 C 0.7433(6) 0.9255(4) 0.3016(4) 0.0400(19) Uani 1 1 d . . . . .
C18 C 0.6772(6) 0.9755(5) 0.2646(5) 0.049(2) Uani 1 1 d . . . . .
C19 C 0.5900(7) 1.0030(6) 0.3022(7) 0.075(3) Uani 1 1 d . . . . .
H19 H 0.5442 1.0375 0.2797 0.090 Uiso 1 1 calc R U . . .
C20 C 0.5707(9) 0.9803(6) 0.3715(7) 0.084(4) Uani 1 1 d . . . . .
H20 H 0.5124 0.9996 0.3957 0.101 Uiso 1 1 calc R U . . .
C21 C 0.6361(9) 0.9300(7) 0.4046(6) 0.078(3) Uani 1 1 d . . . . .
H21 H 0.6209 0.9142 0.4513 0.094 Uiso 1 1 calc R U . . .
C22 C 0.7254(7) 0.9009(5) 0.3715(5) 0.057(3) Uani 1 1 d . . . . .
C23 C 0.6948(7) 0.9989(5) 0.1869(5) 0.053(2) Uani 1 1 d . . . . .
H23 H 0.7587 0.9727 0.1704 0.064 Uiso 1 1 calc R U . . .
C24 C 0.6050(9) 0.9712(7) 0.1393(7) 0.096(4) Uani 1 1 d . . . . .
H24A H 0.5405 0.9932 0.1564 0.144 Uiso 1 1 calc R U . . .
H24B H 0.6010 0.9150 0.1408 0.144 Uiso 1 1 calc R U . . .
H24C H 0.6171 0.9880 0.0907 0.144 Uiso 1 1 calc R U . . .
C25 C 0.7119(9) 1.0864(6) 0.1800(6) 0.081(3) Uani 1 1 d . . . . .
H25A H 0.6472 1.1133 0.1888 0.121 Uiso 1 1 calc R U . . .
H25B H 0.7362 1.0983 0.1324 0.121 Uiso 1 1 calc R U . . .
H25C H 0.7632 1.1030 0.2145 0.121 Uiso 1 1 calc R U . . .
C26 C 0.7962(10) 0.8441(7) 0.4099(5) 0.078(3) Uani 1 1 d . . . . .
H26 H 0.8456 0.8233 0.3743 0.093 Uiso 1 1 calc R U . . .
C27 C 0.8600(13) 0.8853(11) 0.4683(8) 0.149(7) Uani 1 1 d . . . . .
H27A H 0.8991 0.9276 0.4472 0.224 Uiso 1 1 calc R U . . .
H27B H 0.9075 0.8485 0.4899 0.224 Uiso 1 1 calc R U . . .
H27C H 0.8137 0.9057 0.5044 0.224 Uiso 1 1 calc R U . . .
C28 C 0.7383(11) 0.7748(7) 0.4423(7) 0.126(5) Uani 1 1 d . . . . .
H28A H 0.6865 0.7935 0.4756 0.189 Uiso 1 1 calc R U . . .
H28B H 0.7871 0.7416 0.4671 0.189 Uiso 1 1 calc R U . . .
H28C H 0.7047 0.7456 0.4046 0.189 Uiso 1 1 calc R U . . .
C29 C 0.8391(6) 0.6917(6) 0.9351(6) 0.067(3) Uani 1 1 d . . . . .
H29A H 0.8811 0.7320 0.9122 0.080 Uiso 1 1 calc R U . . .
H29B H 0.8727 0.6780 0.9802 0.080 Uiso 1 1 calc R U . . .
C30 C 0.8368(9) 0.6205(8) 0.8874(8) 0.118(5) Uani 1 1 d . U . . .
H30A H 0.7865 0.5837 0.9055 0.177 Uiso 1 1 calc R U . . .
H30B H 0.9048 0.5965 0.8867 0.177 Uiso 1 1 calc R U . . .
H30C H 0.8177 0.6357 0.8394 0.177 Uiso 1 1 calc R U . . .
C31 C 0.7254(7) 0.8119(6) 0.9378(5) 0.060(2) Uani 1 1 d . . . . .
H31 H 0.6535 0.8280 0.9486 0.072 Uiso 1 1 calc R U . . .
C32 C 0.7451(8) 0.8306(6) 0.8591(6) 0.083(3) Uani 1 1 d . . . . .
H32A H 0.8183 0.8249 0.8487 0.124 Uiso 1 1 calc R U . . .
H32B H 0.7239 0.8836 0.8494 0.124 Uiso 1 1 calc R U . . .
H32C H 0.7055 0.7953 0.8295 0.124 Uiso 1 1 calc R U . . .
C33 C 0.7974(10) 0.8581(6) 0.9886(7) 0.102(4) Uani 1 1 d . . . . .
H33A H 0.7794 0.8465 1.0376 0.153 Uiso 1 1 calc R U . . .
H33B H 0.7890 0.9132 0.9800 0.153 Uiso 1 1 calc R U . . .
H33C H 0.8689 0.8435 0.9800 0.153 Uiso 1 1 calc R U . . .
C34 C 0.6899(7) 0.7020(6) 1.0250(4) 0.063(2) Uani 1 1 d . . . . .
H34 H 0.7360 0.7248 1.0615 0.076 Uiso 1 1 calc R U . . .
C35 C 0.6897(10) 0.6156(7) 1.0347(7) 0.109(5) Uani 1 1 d . . . . .
H35A H 0.6776 0.6033 1.0844 0.164 Uiso 1 1 calc R U . . .
H35B H 0.7562 0.5947 1.0201 0.164 Uiso 1 1 calc R U . . .
H35C H 0.6354 0.5929 1.0057 0.164 Uiso 1 1 calc R U . . .
C36 C 0.5812(7) 0.7353(9) 1.0356(5) 0.102(4) Uani 1 1 d . . . . .
H36A H 0.5369 0.7190 0.9967 0.153 Uiso 1 1 calc R U . . .
H36B H 0.5849 0.7915 1.0368 0.153 Uiso 1 1 calc R U . . .
H36C H 0.5529 0.7164 1.0803 0.153 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 1.993(6) . ?
Au1 Cl1 2.2999(19) . ?
Au2 C2 2.009(7) . ?
Au2 Cl2 2.308(2) . ?
N1 C4 1.330(9) . ?
N1 C3 1.435(9) . ?
N1 C5 1.454(9) . ?
N2 C4 1.303(9) . ?
N2 C1 1.428(8) . ?
N2 C17 1.473(9) . ?
N3 C31 1.506(12) . ?
N3 C29 1.515(10) . ?
N3 C34 1.524(10) . ?
N3 H3 0.88(3) . ?
O1 C3 1.226(8) . ?
C1 C2 1.367(9) . ?
C2 C3 1.428(10) . ?
C4 H4 0.91(3) . ?
C5 C10 1.369(11) . ?
C5 C6 1.401(11) . ?
C6 C7 1.393(11) . ?
C6 C11 1.518(12) . ?
C7 C8 1.351(13) . ?
C7 H7 0.9300 . ?
C8 C9 1.382(14) . ?
C8 H8 0.9300 . ?
C9 C10 1.394(12) . ?
C9 H9 0.9300 . ?
C10 C14 1.516(12) . ?
C11 C13 1.460(17) . ?
C11 C12 1.507(13) . ?
C11 H11 0.9800 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.473(15) . ?
C14 C16 1.474(17) . ?
C14 H14 0.9800 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C22 1.384(12) . ?
C17 C18 1.384(11) . ?
C18 C19 1.396(12) . ?
C18 C23 1.514(13) . ?
C19 C20 1.366(16) . ?
C19 H19 0.9300 . ?
C20 C21 1.347(16) . ?
C20 H20 0.9300 . ?
C21 C22 1.387(13) . ?
C21 H21 0.9300 . ?
C22 C26 1.505(14) . ?
C23 C25 1.512(12) . ?
C23 C24 1.524(13) . ?
C23 H23 0.9800 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C28 1.517(15) . ?
C26 C27 1.529(17) . ?
C26 H26 0.9800 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.505(14) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.518(14) . ?
C31 C33 1.536(13) . ?
C31 H31 0.9800 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.485(14) . ?
C34 C36 1.513(13) . ?
C34 H34 0.9800 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 Cl1 178.10(19) . . ?
C2 Au2 Cl2 174.2(2) . . ?
C4 N1 C3 120.2(6) . . ?
C4 N1 C5 120.0(6) . . ?
C3 N1 C5 119.8(6) . . ?
C4 N2 C1 122.7(6) . . ?
C4 N2 C17 117.9(6) . . ?
C1 N2 C17 119.3(5) . . ?
C31 N3 C29 112.5(7) . . ?
C31 N3 C34 112.4(7) . . ?
C29 N3 C34 113.4(7) . . ?
C31 N3 H3 103(5) . . ?
C29 N3 H3 107(5) . . ?
C34 N3 H3 109(5) . . ?
C2 C1 N2 116.7(6) . . ?
C2 C1 Au1 127.5(5) . . ?
N2 C1 Au1 115.7(4) . . ?
C1 C2 C3 120.9(6) . . ?
C1 C2 Au2 124.7(5) . . ?
C3 C2 Au2 114.2(5) . . ?
O1 C3 C2 128.1(7) . . ?
O1 C3 N1 115.2(7) . . ?
C2 C3 N1 116.7(6) . . ?
N2 C4 N1 122.0(6) . . ?
N2 C4 H4 123(5) . . ?
N1 C4 H4 114(5) . . ?
C10 C5 C6 123.6(7) . . ?
C10 C5 N1 118.4(7) . . ?
C6 C5 N1 118.0(7) . . ?
C7 C6 C5 116.0(8) . . ?
C7 C6 C11 121.5(8) . . ?
C5 C6 C11 122.5(7) . . ?
C8 C7 C6 122.2(9) . . ?
C8 C7 H7 118.9 . . ?
C6 C7 H7 118.9 . . ?
C7 C8 C9 120.1(8) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 C10 120.6(9) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C5 C10 C9 117.5(8) . . ?
C5 C10 C14 124.1(8) . . ?
C9 C10 C14 118.4(8) . . ?
C13 C11 C12 109.2(11) . . ?
C13 C11 C6 112.3(10) . . ?
C12 C11 C6 114.1(8) . . ?
C13 C11 H11 106.9 . . ?
C12 C11 H11 106.9 . . ?
C6 C11 H11 106.9 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C16 108.6(10) . . ?
C15 C14 C10 115.6(10) . . ?
C16 C14 C10 112.1(10) . . ?
C15 C14 H14 106.7 . . ?
C16 C14 H14 106.7 . . ?
C10 C14 H14 106.7 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 C18 123.5(8) . . ?
C22 C17 N2 118.6(7) . . ?
C18 C17 N2 117.8(7) . . ?
C17 C18 C19 116.4(9) . . ?
C17 C18 C23 123.1(8) . . ?
C19 C18 C23 120.5(9) . . ?
C20 C19 C18 121.4(11) . . ?
C20 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
C21 C20 C19 119.9(10) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C20 C21 C22 122.4(10) . . ?
C20 C21 H21 118.8 . . ?
C22 C21 H21 118.8 . . ?
C17 C22 C21 116.3(10) . . ?
C17 C22 C26 122.7(8) . . ?
C21 C22 C26 121.0(9) . . ?
C25 C23 C18 111.3(8) . . ?
C25 C23 C24 111.4(8) . . ?
C18 C23 C24 111.1(8) . . ?
C25 C23 H23 107.6 . . ?
C18 C23 H23 107.6 . . ?
C24 C23 H23 107.6 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 C28 113.4(11) . . ?
C22 C26 C27 111.1(11) . . ?
C28 C26 C27 109.7(10) . . ?
C22 C26 H26 107.5 . . ?
C28 C26 H26 107.5 . . ?
C27 C26 H26 107.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 N3 113.5(8) . . ?
C30 C29 H29A 108.9 . . ?
N3 C29 H29A 108.9 . . ?
C30 C29 H29B 108.9 . . ?
N3 C29 H29B 108.9 . . ?
H29A C29 H29B 107.7 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N3 C31 C32 110.9(8) . . ?
N3 C31 C33 112.0(8) . . ?
C32 C31 C33 112.6(9) . . ?
N3 C31 H31 107.0 . . ?
C32 C31 H31 107.0 . . ?
C33 C31 H31 107.0 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C36 110.8(10) . . ?
C35 C34 N3 111.3(9) . . ?
C36 C34 N3 110.0(7) . . ?
C35 C34 H34 108.2 . . ?
C36 C34 H34 108.2 . . ?
N3 C34 H34 108.2 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 N2 C1 C2 -3.3(10) . . . . ?
C17 N2 C1 C2 179.1(6) . . . . ?
C4 N2 C1 Au1 177.4(5) . . . . ?
C17 N2 C1 Au1 -0.2(8) . . . . ?
N2 C1 C2 C3 -4.7(10) . . . . ?
Au1 C1 C2 C3 174.5(5) . . . . ?
N2 C1 C2 Au2 170.9(4) . . . . ?
Au1 C1 C2 Au2 -9.8(9) . . . . ?
C1 C2 C3 O1 -170.3(8) . . . . ?
Au2 C2 C3 O1 13.6(11) . . . . ?
C1 C2 C3 N1 9.5(10) . . . . ?
Au2 C2 C3 N1 -166.6(5) . . . . ?
C4 N1 C3 O1 173.1(7) . . . . ?
C5 N1 C3 O1 -7.3(10) . . . . ?
C4 N1 C3 C2 -6.8(10) . . . . ?
C5 N1 C3 C2 172.8(6) . . . . ?
C1 N2 C4 N1 6.2(11) . . . . ?
C17 N2 C4 N1 -176.2(7) . . . . ?
C3 N1 C4 N2 -0.9(11) . . . . ?
C5 N1 C4 N2 179.6(7) . . . . ?
C4 N1 C5 C10 101.7(8) . . . . ?
C3 N1 C5 C10 -77.9(9) . . . . ?
C4 N1 C5 C6 -80.6(9) . . . . ?
C3 N1 C5 C6 99.8(8) . . . . ?
C10 C5 C6 C7 0.0(13) . . . . ?
N1 C5 C6 C7 -177.6(7) . . . . ?
C10 C5 C6 C11 179.4(8) . . . . ?
N1 C5 C6 C11 1.8(12) . . . . ?
C5 C6 C7 C8 1.4(15) . . . . ?
C11 C6 C7 C8 -178.0(10) . . . . ?
C6 C7 C8 C9 -1.9(17) . . . . ?
C7 C8 C9 C10 1.0(16) . . . . ?
C6 C5 C10 C9 -0.8(13) . . . . ?
N1 C5 C10 C9 176.8(7) . . . . ?
C6 C5 C10 C14 177.1(8) . . . . ?
N1 C5 C10 C14 -5.3(12) . . . . ?
C8 C9 C10 C5 0.3(15) . . . . ?
C8 C9 C10 C14 -177.7(10) . . . . ?
C7 C6 C11 C13 83.4(14) . . . . ?
C5 C6 C11 C13 -96.0(14) . . . . ?
C7 C6 C11 C12 -41.6(13) . . . . ?
C5 C6 C11 C12 139.1(10) . . . . ?
C5 C10 C14 C15 129.6(11) . . . . ?
C9 C10 C14 C15 -52.6(14) . . . . ?
C5 C10 C14 C16 -105.2(13) . . . . ?
C9 C10 C14 C16 72.6(14) . . . . ?
C4 N2 C17 C22 -89.3(9) . . . . ?
C1 N2 C17 C22 88.5(9) . . . . ?
C4 N2 C17 C18 91.3(9) . . . . ?
C1 N2 C17 C18 -90.9(8) . . . . ?
C22 C17 C18 C19 1.7(12) . . . . ?
N2 C17 C18 C19 -178.9(7) . . . . ?
C22 C17 C18 C23 -177.0(8) . . . . ?
N2 C17 C18 C23 2.4(11) . . . . ?
C17 C18 C19 C20 -1.1(14) . . . . ?
C23 C18 C19 C20 177.6(9) . . . . ?
C18 C19 C20 C21 -0.4(16) . . . . ?
C19 C20 C21 C22 1.6(17) . . . . ?
C18 C17 C22 C21 -0.7(13) . . . . ?
N2 C17 C22 C21 179.9(8) . . . . ?
C18 C17 C22 C26 177.6(9) . . . . ?
N2 C17 C22 C26 -1.8(13) . . . . ?
C20 C21 C22 C17 -1.0(15) . . . . ?
C20 C21 C22 C26 -179.3(11) . . . . ?
C17 C18 C23 C25 -117.8(9) . . . . ?
C19 C18 C23 C25 63.6(12) . . . . ?
C17 C18 C23 C24 117.5(9) . . . . ?
C19 C18 C23 C24 -61.2(11) . . . . ?
C17 C22 C26 C28 -127.9(10) . . . . ?
C21 C22 C26 C28 50.3(13) . . . . ?
C17 C22 C26 C27 108.1(11) . . . . ?
C21 C22 C26 C27 -73.7(13) . . . . ?
C31 N3 C29 C30 -130.1(10) . . . . ?
C34 N3 C29 C30 101.0(11) . . . . ?
C29 N3 C31 C32 62.7(9) . . . . ?
C34 N3 C31 C32 -167.8(7) . . . . ?
C29 N3 C31 C33 -64.0(10) . . . . ?
C34 N3 C31 C33 65.4(10) . . . . ?
C31 N3 C34 C35 176.0(8) . . . . ?
C29 N3 C34 C35 -55.0(10) . . . . ?
C31 N3 C34 C36 52.7(10) . . . . ?
C29 N3 C34 C36 -178.3(8) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C31 H31 Cl2 0.98 2.86 3.718(9) 146.6 4_466
C4 H4 Cl2 0.91(3) 2.89(4) 3.703(7) 149(6) 3_755
N3 H3 O1 0.88(3) 1.99(3) 2.870(8) 177(8) 4_466

_refine_diff_density_max         0.512
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.097

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_51010b
_database_code_depnum_ccdc_archive 'CCDC 1440089'
_audit_update_record             
;
2015-12-02 deposited with the CCDC.
2017-09-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58 H74 Au2 Cl4 N4 O2'
_chemical_formula_weight         1394.94

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'
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'

_space_group_crystal_system      trigonal
_space_group_IT_number           154
_space_group_name_H-M_alt        'P 32 2 1'
_space_group_name_Hall           'P 32 2"'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'y, x, -z'
'x-y, -y, -z+1/3'
'-x, -x+y, -z+2/3'

_cell_length_a                   15.803(2)
_cell_length_b                   15.803(2)
_cell_length_c                   21.901(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     4736.5(15)
_cell_formula_units_Z            3
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9875
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      25.75

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_F_000             2076
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    4.850
_shelx_estimated_absorpt_T_min   0.195
_shelx_estimated_absorpt_T_max   0.415
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.435
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34011
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.755
_diffrn_reflns_theta_max         27.357
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7149
_reflns_number_gt                6235
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.803
_reflns_Friedel_fraction_max     0.995
_reflns_Friedel_fraction_full    0.996

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_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-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
; 
 w=1/[σ²(Fo²)+(0.0291P)²+1.0360P] 
 where P=(Fo²+2Fc²)/3 
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 2555 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_abs_structure_Flack   0.002(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         7149
_refine_ls_number_parameters     328
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0270
_refine_ls_wR_factor_ref         0.0669
_refine_ls_wR_factor_gt          0.0620
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.004
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.60241(2) 0.11418(2) 0.23385(2) 0.04918(9) Uani 1 1 d . . . . .
Cl1 Cl 0.5083(2) 0.09982(19) 0.31665(11) 0.1006(9) Uani 1 1 d . . . . .
N1 N 0.7308(3) 0.2029(3) 0.1253(2) 0.0371(10) Uani 1 1 d . . . . .
N2 N 0.8061(3) 0.1392(3) 0.0664(2) 0.0381(11) Uani 1 1 d . . . . .
O1 O 0.7858(4) -0.0111(3) 0.0872(2) 0.0615(14) Uani 1 1 d . . . . .
C1 C 0.6844(4) 0.1190(4) 0.1637(2) 0.0320(11) Uani 1 1 d . . . . .
C2 C 0.7870(4) 0.2098(4) 0.0797(2) 0.0394(12) Uani 1 1 d . . . . .
H2 H 0.807(5) 0.269(5) 0.053(3) 0.057(19) Uiso 1 1 d . . . . .
C3 C 0.7638(4) 0.0496(4) 0.1008(3) 0.0382(12) Uani 1 1 d . . . . .
C4 C 0.7011(4) 0.0458(4) 0.1483(2) 0.0328(11) Uani 1 1 d . . . . .
C5 C 0.7133(4) 0.2845(4) 0.1355(3) 0.0434(14) Uani 1 1 d . . . . .
C6 C 0.7784(5) 0.3607(5) 0.1724(3) 0.0514(15) Uani 1 1 d . . . . .
C7 C 0.7621(6) 0.4398(5) 0.1778(4) 0.0674(19) Uani 1 1 d . . . . .
H7 H 0.8043 0.4933 0.2016 0.081 Uiso 1 1 calc R U . . .
C8 C 0.6862(7) 0.4402(6) 0.1490(5) 0.082(3) Uani 1 1 d . . . . .
H8 H 0.6768 0.4934 0.1535 0.098 Uiso 1 1 calc R U . . .
C9 C 0.6237(6) 0.3630(6) 0.1136(4) 0.074(2) Uani 1 1 d . . . . .
H9 H 0.5723 0.3647 0.0942 0.088 Uiso 1 1 calc R U . . .
C10 C 0.6347(6) 0.2823(5) 0.1060(3) 0.0561(16) Uani 1 1 d . . . . .
C11 C 0.8610(5) 0.3583(6) 0.2065(4) 0.0652(19) Uani 1 1 d . . . . .
H11 H 0.8572 0.2958 0.1975 0.078 Uiso 1 1 calc R U . . .
C12 C 0.9596(7) 0.4397(10) 0.1836(7) 0.135(5) Uani 1 1 d . . . . .
H12A H 0.9722 0.4232 0.1437 0.203 Uiso 1 1 calc R U . . .
H12B H 1.0102 0.4474 0.2112 0.203 Uiso 1 1 calc R U . . .
H12C H 0.9584 0.4998 0.1814 0.203 Uiso 1 1 calc R U . . .
C13 C 0.8505(10) 0.3641(11) 0.2762(5) 0.122(4) Uani 1 1 d . . . . .
H13A H 0.8521 0.4240 0.2863 0.183 Uiso 1 1 calc R U . . .
H13B H 0.9034 0.3621 0.2965 0.183 Uiso 1 1 calc R U . . .
H13C H 0.7896 0.3097 0.2894 0.183 Uiso 1 1 calc R U . . .
C14 C 0.5618(6) 0.1938(6) 0.0680(4) 0.072(2) Uani 1 1 d . . . . .
H14 H 0.5824 0.1448 0.0699 0.086 Uiso 1 1 calc R U . . .
C15 C 0.5642(9) 0.2218(10) 0.0014(5) 0.122(4) Uani 1 1 d . . . . .
H15A H 0.5343 0.2616 -0.0028 0.183 Uiso 1 1 calc R U . . .
H15B H 0.5289 0.1637 -0.0228 0.183 Uiso 1 1 calc R U . . .
H15C H 0.6307 0.2578 -0.0123 0.183 Uiso 1 1 calc R U . . .
C16 C 0.4605(8) 0.1482(9) 0.0940(6) 0.124(4) Uani 1 1 d . . . . .
H16A H 0.4607 0.1270 0.1350 0.187 Uiso 1 1 calc R U . . .
H16B H 0.4168 0.0931 0.0695 0.187 Uiso 1 1 calc R U . . .
H16C H 0.4391 0.1954 0.0940 0.187 Uiso 1 1 calc R U . . .
C17 C 0.8683(5) 0.1496(5) 0.0146(3) 0.0459(14) Uani 1 1 d . . . . .
C18 C 0.9663(5) 0.1823(5) 0.0259(3) 0.0582(17) Uani 1 1 d . . . . .
C19 C 1.0219(7) 0.1884(8) -0.0250(4) 0.085(3) Uani 1 1 d . . . . .
H19 H 1.0882 0.2108 -0.0201 0.102 Uiso 1 1 calc R U . . .
C20 C 0.9818(8) 0.1625(10) -0.0812(4) 0.113(4) Uani 1 1 d . . . . .
H20 H 1.0206 0.1659 -0.1141 0.135 Uiso 1 1 calc R U . . .
C21 C 0.8867(9) 0.1320(10) -0.0904(4) 0.104(4) Uani 1 1 d . . . . .
H21 H 0.8618 0.1171 -0.1298 0.124 Uiso 1 1 calc R U . . .
C22 C 0.8247(6) 0.1221(6) -0.0424(3) 0.0637(19) Uani 1 1 d . . . . .
C23 C 1.0124(6) 0.2091(6) 0.0888(3) 0.0635(19) Uani 1 1 d . . . . .
H23 H 0.9616 0.2021 0.1174 0.076 Uiso 1 1 calc R U . . .
C24 C 1.0952(9) 0.3150(8) 0.0922(6) 0.129(5) Uani 1 1 d . . . . .
H24A H 1.0951 0.3414 0.1316 0.194 Uiso 1 1 calc R U . . .
H24B H 1.0860 0.3527 0.0612 0.194 Uiso 1 1 calc R U . . .
H24C H 1.1565 0.3176 0.0858 0.194 Uiso 1 1 calc R U . . .
C25 C 1.0447(11) 0.1377(11) 0.1082(5) 0.128(5) Uani 1 1 d . . . . .
H25A H 0.9905 0.0722 0.1052 0.192 Uiso 1 1 calc R U . . .
H25B H 1.0674 0.1509 0.1497 0.192 Uiso 1 1 calc R U . . .
H25C H 1.0966 0.1447 0.0821 0.192 Uiso 1 1 calc R U . . .
C26 C 0.7176(7) 0.0830(9) -0.0536(4) 0.084(3) Uani 1 1 d . . . . .
H26 H 0.6909 0.0931 -0.0157 0.100 Uiso 1 1 calc R U . . .
C27 C 0.6990(9) 0.1390(10) -0.1030(6) 0.122(4) Uani 1 1 d . . . . .
H27A H 0.7230 0.2051 -0.0899 0.183 Uiso 1 1 calc R U . . .
H27B H 0.6300 0.1084 -0.1107 0.183 Uiso 1 1 calc R U . . .
H27C H 0.7320 0.1390 -0.1398 0.183 Uiso 1 1 calc R U . . .
C28 C 0.6615(9) -0.0272(10) -0.0660(8) 0.142(5) Uani 1 1 d . . . . .
H28A H 0.6876 -0.0411 -0.1018 0.212 Uiso 1 1 calc R U . . .
H28B H 0.5937 -0.0485 -0.0723 0.212 Uiso 1 1 calc R U . . .
H28C H 0.6682 -0.0612 -0.0317 0.212 Uiso 1 1 calc R U . . .
C29 C 0.8533(13) 0.8249(13) 0.0260(7) 0.184(7) Uani 1 1 d D . . . .
H29A H 0.8857 0.8819 0.0522 0.220 Uiso 1 1 calc R U . . .
H29B H 0.9025 0.8087 0.0137 0.220 Uiso 1 1 calc R U . . .
Cl2 Cl 0.7705(4) 0.7304(5) 0.07044(19) 0.198(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 C1 1.987(5) . ?
Au1 Cl1 2.2837(19) . ?
N1 C2 1.303(7) . ?
N1 C1 1.425(6) . ?
N1 C5 1.466(7) . ?
N2 C2 1.325(7) . ?
N2 C3 1.442(7) . ?
N2 C17 1.456(7) . ?
O1 C3 1.209(7) . ?
C1 C4 1.351(7) . ?
C2 H2 1.01(7) . ?
C3 C4 1.416(8) . ?
C4 C4 1.489(10) 5 ?
C5 C10 1.383(9) . ?
C5 C6 1.388(9) . ?
C6 C7 1.402(9) . ?
C6 C11 1.522(10) . ?
C7 C8 1.357(12) . ?
C7 H7 0.9300 . ?
C8 C9 1.364(12) . ?
C8 H8 0.9300 . ?
C9 C10 1.381(10) . ?
C9 H9 0.9300 . ?
C10 C14 1.537(11) . ?
C11 C12 1.527(13) . ?
C11 C13 1.543(14) . ?
C11 H11 0.9800 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C16 1.501(14) . ?
C14 C15 1.518(13) . ?
C14 H14 0.9800 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C22 1.387(9) . ?
C17 C18 1.387(10) . ?
C18 C19 1.393(10) . ?
C18 C23 1.516(11) . ?
C19 C20 1.352(14) . ?
C19 H19 0.9300 . ?
C20 C21 1.343(15) . ?
C20 H20 0.9300 . ?
C21 C22 1.392(11) . ?
C21 H21 0.9300 . ?
C22 C26 1.502(12) . ?
C23 C25 1.513(14) . ?
C23 C24 1.526(13) . ?
C23 H23 0.9800 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.517(14) . ?
C26 C28 1.534(17) . ?
C26 H26 0.9800 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C29 1.38(2) 4 ?
C29 Cl2 1.713(15) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?

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
C1 Au1 Cl1 176.27(16) . . ?
C2 N1 C1 122.9(5) . . ?
C2 N1 C5 117.6(5) . . ?
C1 N1 C5 119.5(4) . . ?
C2 N2 C3 121.5(4) . . ?
C2 N2 C17 120.2(4) . . ?
C3 N2 C17 118.3(5) . . ?
C4 C1 N1 114.8(4) . . ?
C4 C1 Au1 124.3(4) . . ?
N1 C1 Au1 121.0(4) . . ?
N1 C2 N2 122.0(5) . . ?
N1 C2 H2 114(4) . . ?
N2 C2 H2 124(4) . . ?
O1 C3 C4 128.4(5) . . ?
O1 C3 N2 118.2(5) . . ?
C4 C3 N2 113.4(5) . . ?
C1 C4 C3 125.4(5) . . ?
C1 C4 C4 119.3(4) . 5 ?
C3 C4 C4 115.2(4) . 5 ?
C10 C5 C6 124.1(6) . . ?
C10 C5 N1 117.9(6) . . ?
C6 C5 N1 117.9(5) . . ?
C5 C6 C7 115.8(6) . . ?
C5 C6 C11 122.6(6) . . ?
C7 C6 C11 121.6(7) . . ?
C8 C7 C6 121.4(7) . . ?
C8 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C7 C8 C9 120.5(7) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C10 121.7(8) . . ?
C8 C9 H9 119.2 . . ?
C10 C9 H9 119.2 . . ?
C9 C10 C5 116.5(7) . . ?
C9 C10 C14 121.4(7) . . ?
C5 C10 C14 122.1(6) . . ?
C6 C11 C12 110.1(8) . . ?
C6 C11 C13 111.4(7) . . ?
C12 C11 C13 111.7(9) . . ?
C6 C11 H11 107.8 . . ?
C12 C11 H11 107.8 . . ?
C13 C11 H11 107.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C16 C14 C15 111.7(9) . . ?
C16 C14 C10 111.5(7) . . ?
C15 C14 C10 110.9(8) . . ?
C16 C14 H14 107.5 . . ?
C15 C14 H14 107.5 . . ?
C10 C14 H14 107.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 C18 124.5(6) . . ?
C22 C17 N2 117.6(6) . . ?
C18 C17 N2 117.9(5) . . ?
C17 C18 C19 115.5(7) . . ?
C17 C18 C23 123.9(6) . . ?
C19 C18 C23 120.6(7) . . ?
C20 C19 C18 121.6(9) . . ?
C20 C19 H19 119.2 . . ?
C18 C19 H19 119.2 . . ?
C21 C20 C19 121.1(8) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C20 C21 C22 121.7(8) . . ?
C20 C21 H21 119.1 . . ?
C22 C21 H21 119.1 . . ?
C17 C22 C21 115.5(8) . . ?
C17 C22 C26 123.9(6) . . ?
C21 C22 C26 120.6(7) . . ?
C25 C23 C18 110.0(7) . . ?
C25 C23 C24 112.4(10) . . ?
C18 C23 C24 112.3(8) . . ?
C25 C23 H23 107.3 . . ?
C18 C23 H23 107.3 . . ?
C24 C23 H23 107.3 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 C27 112.6(9) . . ?
C22 C26 C28 112.9(8) . . ?
C27 C26 C28 111.4(10) . . ?
C22 C26 H26 106.5 . . ?
C27 C26 H26 106.5 . . ?
C28 C26 H26 106.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C29 C29 Cl2 121.4(8) 4 . ?
C29 C29 H29A 107.0 4 . ?
Cl2 C29 H29A 107.0 . . ?
C29 C29 H29B 107.0 4 . ?
Cl2 C29 H29B 107.0 . . ?
H29A C29 H29B 106.7 . . ?

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
C2 N1 C1 C4 -1.6(8) . . . . ?
C5 N1 C1 C4 176.5(5) . . . . ?
C2 N1 C1 Au1 178.4(5) . . . . ?
C5 N1 C1 Au1 -3.6(7) . . . . ?
C1 N1 C2 N2 -1.0(9) . . . . ?
C5 N1 C2 N2 -179.1(6) . . . . ?
C3 N2 C2 N1 1.5(9) . . . . ?
C17 N2 C2 N1 179.3(6) . . . . ?
C2 N2 C3 O1 -178.4(6) . . . . ?
C17 N2 C3 O1 3.7(9) . . . . ?
C2 N2 C3 C4 0.6(8) . . . . ?
C17 N2 C3 C4 -177.3(5) . . . . ?
N1 C1 C4 C3 3.9(8) . . . . ?
Au1 C1 C4 C3 -176.1(4) . . . . ?
N1 C1 C4 C4 -179.4(5) . . . 5 ?
Au1 C1 C4 C4 0.7(7) . . . 5 ?
O1 C3 C4 C1 175.5(7) . . . . ?
N2 C3 C4 C1 -3.4(8) . . . . ?
O1 C3 C4 C4 -1.4(10) . . . 5 ?
N2 C3 C4 C4 179.7(5) . . . 5 ?
C2 N1 C5 C10 89.4(7) . . . . ?
C1 N1 C5 C10 -88.7(7) . . . . ?
C2 N1 C5 C6 -88.5(7) . . . . ?
C1 N1 C5 C6 93.4(7) . . . . ?
C10 C5 C6 C7 -1.6(10) . . . . ?
N1 C5 C6 C7 176.2(6) . . . . ?
C10 C5 C6 C11 177.0(7) . . . . ?
N1 C5 C6 C11 -5.3(9) . . . . ?
C5 C6 C7 C8 0.9(11) . . . . ?
C11 C6 C7 C8 -177.6(8) . . . . ?
C6 C7 C8 C9 -0.4(14) . . . . ?
C7 C8 C9 C10 0.3(14) . . . . ?
C8 C9 C10 C5 -0.8(12) . . . . ?
C8 C9 C10 C14 177.7(8) . . . . ?
C6 C5 C10 C9 1.5(10) . . . . ?
N1 C5 C10 C9 -176.3(6) . . . . ?
C6 C5 C10 C14 -177.0(7) . . . . ?
N1 C5 C10 C14 5.3(9) . . . . ?
C5 C6 C11 C12 116.7(9) . . . . ?
C7 C6 C11 C12 -64.9(10) . . . . ?
C5 C6 C11 C13 -118.7(9) . . . . ?
C7 C6 C11 C13 59.7(11) . . . . ?
C9 C10 C14 C16 -60.5(11) . . . . ?
C5 C10 C14 C16 117.9(9) . . . . ?
C9 C10 C14 C15 64.6(11) . . . . ?
C5 C10 C14 C15 -117.0(9) . . . . ?
C2 N2 C17 C22 -85.6(8) . . . . ?
C3 N2 C17 C22 92.3(7) . . . . ?
C2 N2 C17 C18 97.0(7) . . . . ?
C3 N2 C17 C18 -85.1(7) . . . . ?
C22 C17 C18 C19 1.1(11) . . . . ?
N2 C17 C18 C19 178.3(7) . . . . ?
C22 C17 C18 C23 -178.0(7) . . . . ?
N2 C17 C18 C23 -0.8(10) . . . . ?
C17 C18 C19 C20 -0.9(14) . . . . ?
C23 C18 C19 C20 178.3(10) . . . . ?
C18 C19 C20 C21 1.6(19) . . . . ?
C19 C20 C21 C22 -2(2) . . . . ?
C18 C17 C22 C21 -1.9(12) . . . . ?
N2 C17 C22 C21 -179.1(8) . . . . ?
C18 C17 C22 C26 177.5(8) . . . . ?
N2 C17 C22 C26 0.3(11) . . . . ?
C20 C21 C22 C17 2.5(17) . . . . ?
C20 C21 C22 C26 -176.9(12) . . . . ?
C17 C18 C23 C25 113.5(10) . . . . ?
C19 C18 C23 C25 -65.6(11) . . . . ?
C17 C18 C23 C24 -120.6(9) . . . . ?
C19 C18 C23 C24 60.3(12) . . . . ?
C17 C22 C26 C27 126.6(9) . . . . ?
C21 C22 C26 C27 -54.0(13) . . . . ?
C17 C22 C26 C28 -106.2(11) . . . . ?
C21 C22 C26 C28 73.2(13) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C2 H2 Cl1 1.01(7) 2.47(7) 3.449(6) 162(5) 2_654

_refine_diff_density_max         0.883
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.076

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_dm16665_0m
_database_code_depnum_ccdc_archive 'CCDC 1514554'
_audit_update_record             
;
2016-11-02 deposited with the CCDC.
2017-09-12 downloaded from the CCDC.
;
_audit_creation_date             2016-10-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H65 Au2 N2 O P2, C F3 O3 S, C H2 Cl2'
_chemical_formula_sum            'C66 H67 Au2 Cl2 F3 N2 O4 P2 S'
_chemical_formula_weight         1568.05
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   18.1480(12)
_cell_length_b                   18.4838(12)
_cell_length_c                   19.8362(14)
_cell_angle_alpha                90
_cell_angle_beta                 108.0470(10)
_cell_angle_gamma                90
_cell_volume                     6326.6(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9790
_cell_measurement_temperature    130
_cell_measurement_theta_max      30.544
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   0.443
_shelx_estimated_absorpt_T_min   0.324
_exptl_absorpt_coefficient_mu    4.858
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0692 before and 0.0350 after correction.
The Ratio of minimum to maximum transmission is 0.7759.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3096
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0222
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            45853
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.999
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.614
_diffrn_ambient_temperature      130
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10868
_reflns_number_total             12444
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         3.320
_refine_diff_density_min         -1.888
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     747
_refine_ls_number_reflns         12444
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0251
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0192P)²+21.1044P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0582
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11), C14(H14), C23(H23), C26(H26)
2.b Secondary CH2 refined with riding coordinates:
 C66(H66A,H66B)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C7(H7), C8(H8), C9(H9), C19(H19), C20(H20), C21(H21), C30(H30),
 C31(H31), C32(H32), C33(H33), C34(H34), C36(H36), C37(H37), C38(H38), C39(H39),
  C40(H40), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46), C48(H48),
 C49(H49), C50(H50), C51(H51), C52(H52), C54(H54), C55(H55), C56(H56), C57(H57),
  C58(H58), C60(H60), C61(H61), C62(H62), C63(H63), C64(H64)
2.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,
 H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.32792(2) 0.40498(2) 0.31363(2) 0.01890(4) Uani 1 1 d . . . . .
Au2 Au 0.44263(2) 0.24837(2) 0.36786(2) 0.01668(4) Uani 1 1 d . . . . .
P1 P 0.31188(6) 0.45979(5) 0.20631(5) 0.0202(2) Uani 1 1 d . . . . .
P2 P 0.51741(5) 0.19738(5) 0.30653(5) 0.01648(18) Uani 1 1 d . . . . .
O1 O 0.4159(2) 0.19881(16) 0.51475(16) 0.0420(8) Uani 1 1 d . . . . .
N1 N 0.30117(16) 0.38446(15) 0.45534(15) 0.0158(6) Uani 1 1 d . . . . .
N2 N 0.34099(17) 0.29034(15) 0.53462(15) 0.0165(6) Uani 1 1 d . . . . .
C1 C 0.3399(2) 0.35564(19) 0.40870(18) 0.0177(7) Uani 1 1 d . . . . .
C2 C 0.3809(2) 0.29327(19) 0.42802(18) 0.0176(7) Uani 1 1 d . . . . .
C3 C 0.3825(2) 0.2551(2) 0.4923(2) 0.0228(8) Uani 1 1 d . . . . .
C4 C 0.3036(2) 0.35257(18) 0.51542(18) 0.0159(7) Uani 1 1 d . . . . .
H4 H 0.2783 0.3744 0.5455 0.019 Uiso 1 1 calc R . . . .
C5 C 0.2553(2) 0.45130(18) 0.43784(18) 0.0171(7) Uani 1 1 d . . . . .
C6 C 0.1764(2) 0.4450(2) 0.4013(2) 0.0237(8) Uani 1 1 d . . . . .
C7 C 0.1338(2) 0.5090(2) 0.3857(2) 0.0307(9) Uani 1 1 d . . . . .
H7 H 0.0800 0.5070 0.3605 0.037 Uiso 1 1 calc R . . . .
C8 C 0.1686(2) 0.5753(2) 0.4063(2) 0.0305(9) Uani 1 1 d . . . . .
H8 H 0.1386 0.6183 0.3954 0.037 Uiso 1 1 calc R . . . .
C9 C 0.2469(2) 0.5795(2) 0.4426(2) 0.0269(9) Uani 1 1 d . . . . .
H9 H 0.2700 0.6255 0.4565 0.032 Uiso 1 1 calc R . . . .
C10 C 0.2925(2) 0.5173(2) 0.45931(19) 0.0212(8) Uani 1 1 d . . . . .
C11 C 0.3783(2) 0.5238(2) 0.4987(2) 0.0282(9) Uani 1 1 d . . . . .
H11 H 0.4006 0.4739 0.5067 0.034 Uiso 1 1 calc R . . . .
C12 C 0.3930(3) 0.5600(3) 0.5707(2) 0.0456(12) Uani 1 1 d . . . . .
H12A H 0.3740 0.6099 0.5640 0.068 Uiso 1 1 calc GR . . . .
H12B H 0.4488 0.5600 0.5960 0.068 Uiso 1 1 calc GR . . . .
H12C H 0.3658 0.5333 0.5985 0.068 Uiso 1 1 calc GR . . . .
C13 C 0.4191(3) 0.5654(3) 0.4537(3) 0.0437(12) Uani 1 1 d . . . . .
H13A H 0.4123 0.5396 0.4090 0.065 Uiso 1 1 calc GR . . . .
H13B H 0.4745 0.5693 0.4796 0.065 Uiso 1 1 calc GR . . . .
H13C H 0.3967 0.6140 0.4436 0.065 Uiso 1 1 calc GR . . . .
C14 C 0.1366(2) 0.3726(2) 0.3789(2) 0.0362(11) Uani 1 1 d . . . . .
H14 H 0.1764 0.3337 0.3958 0.043 Uiso 1 1 calc R . . . .
C15 C 0.0727(4) 0.3593(3) 0.4120(3) 0.0667(17) Uani 1 1 d . . . . .
H15A H 0.0939 0.3638 0.4636 0.100 Uiso 1 1 calc GR . . . .
H15B H 0.0517 0.3105 0.3998 0.100 Uiso 1 1 calc GR . . . .
H15C H 0.0313 0.3950 0.3939 0.100 Uiso 1 1 calc GR . . . .
C16 C 0.1054(3) 0.3678(3) 0.2989(3) 0.0596(15) Uani 1 1 d . . . . .
H16A H 0.0669 0.4060 0.2808 0.089 Uiso 1 1 calc GR . . . .
H16B H 0.0810 0.3204 0.2852 0.089 Uiso 1 1 calc GR . . . .
H16C H 0.1480 0.3737 0.2788 0.089 Uiso 1 1 calc GR . . . .
C17 C 0.3457(2) 0.26059(19) 0.60407(18) 0.0192(7) Uani 1 1 d . . . . .
C18 C 0.4082(2) 0.2823(2) 0.66114(19) 0.0228(8) Uani 1 1 d . . . . .
C19 C 0.4124(3) 0.2539(2) 0.7275(2) 0.0312(9) Uani 1 1 d . . . . .
H19 H 0.4543 0.2672 0.7680 0.037 Uiso 1 1 calc R . . . .
C20 C 0.3564(3) 0.2067(2) 0.7350(2) 0.0350(10) Uani 1 1 d . . . . .
H20 H 0.3599 0.1881 0.7806 0.042 Uiso 1 1 calc R . . . .
C21 C 0.2956(3) 0.1862(2) 0.6771(2) 0.0311(9) Uani 1 1 d . . . . .
H21 H 0.2577 0.1536 0.6832 0.037 Uiso 1 1 calc R . . . .
C22 C 0.2886(2) 0.2126(2) 0.6095(2) 0.0242(8) Uani 1 1 d . . . . .
C23 C 0.2224(2) 0.1881(2) 0.5463(2) 0.0341(10) Uani 1 1 d . . . . .
H23 H 0.2235 0.2180 0.5047 0.041 Uiso 1 1 calc R . . . .
C24 C 0.1444(3) 0.1988(4) 0.5573(4) 0.082(2) Uani 1 1 d . . . . .
H24A H 0.1394 0.1656 0.5942 0.122 Uiso 1 1 calc GR . . . .
H24B H 0.1032 0.1888 0.5128 0.122 Uiso 1 1 calc GR . . . .
H24C H 0.1399 0.2488 0.5719 0.122 Uiso 1 1 calc GR . . . .
C25 C 0.2336(4) 0.1099(3) 0.5292(3) 0.080(2) Uani 1 1 d . . . . .
H25A H 0.2830 0.1048 0.5192 0.121 Uiso 1 1 calc GR . . . .
H25B H 0.1911 0.0950 0.4875 0.121 Uiso 1 1 calc GR . . . .
H25C H 0.2341 0.0794 0.5697 0.121 Uiso 1 1 calc GR . . . .
C26 C 0.4710(2) 0.3325(2) 0.6533(2) 0.0278(9) Uani 1 1 d . . . . .
H26 H 0.4550 0.3498 0.6030 0.033 Uiso 1 1 calc R . . . .
C27 C 0.4811(3) 0.3985(3) 0.7005(3) 0.0474(12) Uani 1 1 d . . . . .
H27A H 0.4320 0.4250 0.6891 0.071 Uiso 1 1 calc GR . . . .
H27B H 0.5212 0.4299 0.6927 0.071 Uiso 1 1 calc GR . . . .
H27C H 0.4966 0.3832 0.7502 0.071 Uiso 1 1 calc GR . . . .
C28 C 0.5469(3) 0.2920(3) 0.6669(3) 0.0518(14) Uani 1 1 d . . . . .
H28A H 0.5650 0.2758 0.7164 0.078 Uiso 1 1 calc GR . . . .
H28B H 0.5858 0.3240 0.6578 0.078 Uiso 1 1 calc GR . . . .
H28C H 0.5391 0.2499 0.6355 0.078 Uiso 1 1 calc GR . . . .
C29 C 0.2939(2) 0.5560(2) 0.21183(19) 0.0225(8) Uani 1 1 d . . . . .
C30 C 0.2521(2) 0.5781(2) 0.2563(2) 0.0292(9) Uani 1 1 d . . . . .
H30 H 0.2375 0.5437 0.2854 0.035 Uiso 1 1 calc R . . . .
C31 C 0.2316(3) 0.6503(2) 0.2582(2) 0.0355(10) Uani 1 1 d . . . . .
H31 H 0.2031 0.6654 0.2886 0.043 Uiso 1 1 calc R . . . .
C32 C 0.2528(3) 0.6997(2) 0.2158(2) 0.0386(11) Uani 1 1 d . . . . .
H32 H 0.2380 0.7490 0.2165 0.046 Uiso 1 1 calc R . . . .
C33 C 0.2952(3) 0.6787(2) 0.1722(2) 0.0355(10) Uani 1 1 d . . . . .
H33 H 0.3098 0.7134 0.1434 0.043 Uiso 1 1 calc R . . . .
C34 C 0.3167(2) 0.6067(2) 0.1705(2) 0.0280(9) Uani 1 1 d . . . . .
H34 H 0.3467 0.5923 0.1413 0.034 Uiso 1 1 calc R . . . .
C35 C 0.2285(2) 0.4279(2) 0.1350(2) 0.0275(9) Uani 1 1 d . . . . .
C36 C 0.1841(3) 0.4746(3) 0.0825(2) 0.0380(11) Uani 1 1 d . . . . .
H36 H 0.1972 0.5244 0.0835 0.046 Uiso 1 1 calc R . . . .
C37 C 0.1211(3) 0.4479(3) 0.0290(2) 0.0527(14) Uani 1 1 d . . . . .
H37 H 0.0914 0.4794 -0.0071 0.063 Uiso 1 1 calc R . . . .
C38 C 0.1015(3) 0.3759(4) 0.0280(3) 0.0593(17) Uani 1 1 d . . . . .
H38 H 0.0574 0.3583 -0.0080 0.071 Uiso 1 1 calc R . . . .
C39 C 0.1453(4) 0.3292(3) 0.0789(3) 0.0576(17) Uani 1 1 d . . . . .
H39 H 0.1321 0.2793 0.0773 0.069 Uiso 1 1 calc R . . . .
C40 C 0.2087(3) 0.3552(3) 0.1325(2) 0.0395(11) Uani 1 1 d . . . . .
H40 H 0.2387 0.3231 0.1677 0.047 Uiso 1 1 calc R . . . .
C41 C 0.3934(2) 0.45285(19) 0.1719(2) 0.0227(8) Uani 1 1 d . . . . .
C42 C 0.3842(3) 0.4584(2) 0.0996(2) 0.0300(9) Uani 1 1 d . . . . .
H42 H 0.3339 0.4628 0.0663 0.036 Uiso 1 1 calc R . . . .
C43 C 0.4495(3) 0.4575(2) 0.0765(3) 0.0407(11) Uani 1 1 d . . . . .
H43 H 0.4435 0.4609 0.0273 0.049 Uiso 1 1 calc R . . . .
C44 C 0.5222(3) 0.4517(2) 0.1245(3) 0.0441(12) Uani 1 1 d . . . . .
H44 H 0.5663 0.4520 0.1083 0.053 Uiso 1 1 calc R . . . .
C45 C 0.5318(3) 0.4455(2) 0.1957(3) 0.0403(11) Uani 1 1 d . . . . .
H45 H 0.5825 0.4417 0.2286 0.048 Uiso 1 1 calc R . . . .
C46 C 0.4675(2) 0.4449(2) 0.2199(2) 0.0299(9) Uani 1 1 d . . . . .
H46 H 0.4741 0.4390 0.2690 0.036 Uiso 1 1 calc R . . . .
C47 C 0.4839(2) 0.21212(19) 0.21134(18) 0.0178(7) Uani 1 1 d . . . . .
C48 C 0.4211(2) 0.25761(19) 0.1821(2) 0.0204(7) Uani 1 1 d . . . . .
H48 H 0.3950 0.2794 0.2116 0.024 Uiso 1 1 calc R . . . .
C49 C 0.3967(2) 0.2713(2) 0.1095(2) 0.0261(8) Uani 1 1 d . . . . .
H49 H 0.3537 0.3022 0.0895 0.031 Uiso 1 1 calc R . . . .
C50 C 0.4346(2) 0.2400(2) 0.0665(2) 0.0273(9) Uani 1 1 d . . . . .
H50 H 0.4180 0.2498 0.0171 0.033 Uiso 1 1 calc R . . . .
C51 C 0.4966(2) 0.1944(2) 0.0949(2) 0.0285(9) Uani 1 1 d . . . . .
H51 H 0.5223 0.1727 0.0649 0.034 Uiso 1 1 calc R . . . .
C52 C 0.5218(2) 0.1800(2) 0.1674(2) 0.0250(8) Uani 1 1 d . . . . .
H52 H 0.5645 0.1486 0.1869 0.030 Uiso 1 1 calc R . . . .
C53 C 0.5306(2) 0.10067(19) 0.32108(18) 0.0192(7) Uani 1 1 d . . . . .
C54 C 0.5951(2) 0.0647(2) 0.3134(2) 0.0256(8) Uani 1 1 d . . . . .
H54 H 0.6334 0.0909 0.3000 0.031 Uiso 1 1 calc R . . . .
C55 C 0.6033(3) -0.0090(2) 0.3253(2) 0.0322(10) Uani 1 1 d . . . . .
H55 H 0.6475 -0.0332 0.3201 0.039 Uiso 1 1 calc R . . . .
C56 C 0.5482(3) -0.0479(2) 0.3446(2) 0.0347(10) Uani 1 1 d . . . . .
H56 H 0.5547 -0.0984 0.3533 0.042 Uiso 1 1 calc R . . . .
C57 C 0.4839(3) -0.0133(2) 0.3512(2) 0.0354(10) Uani 1 1 d . . . . .
H57 H 0.4453 -0.0403 0.3635 0.042 Uiso 1 1 calc R . . . .
C58 C 0.4747(2) 0.0609(2) 0.3402(2) 0.0265(8) Uani 1 1 d . . . . .
H58 H 0.4304 0.0845 0.3456 0.032 Uiso 1 1 calc R . . . .
C59 C 0.6145(2) 0.23592(19) 0.33571(19) 0.0196(7) Uani 1 1 d . . . . .
C60 C 0.6352(2) 0.2921(2) 0.2992(2) 0.0280(9) Uani 1 1 d . . . . .
H60 H 0.6005 0.3073 0.2550 0.034 Uiso 1 1 calc R . . . .
C61 C 0.7063(3) 0.3265(3) 0.3265(2) 0.0357(10) Uani 1 1 d . . . . .
H61 H 0.7195 0.3655 0.3013 0.043 Uiso 1 1 calc R . . . .
C62 C 0.7573(2) 0.3045(3) 0.3897(2) 0.0372(10) Uani 1 1 d . . . . .
H62 H 0.8057 0.3283 0.4086 0.045 Uiso 1 1 calc R . . . .
C63 C 0.7379(3) 0.2478(3) 0.4255(3) 0.0508(14) Uani 1 1 d . . . . .
H63 H 0.7734 0.2320 0.4690 0.061 Uiso 1 1 calc R . . . .
C64 C 0.6672(3) 0.2134(3) 0.3989(2) 0.0415(12) Uani 1 1 d . . . . .
H64 H 0.6546 0.1741 0.4242 0.050 Uiso 1 1 calc R . . . .
S1 S 0.21395(7) 0.42595(9) 0.65534(8) 0.0577(4) Uani 1 1 d . . . . .
F1 F 0.1485(2) 0.5341(2) 0.5734(2) 0.0888(13) Uani 1 1 d . . . . .
F2 F 0.1625(3) 0.5498(2) 0.6804(3) 0.1122(18) Uani 1 1 d . . . . .
F3 F 0.07492(18) 0.48028(19) 0.6244(2) 0.0814(12) Uani 1 1 d . . . . .
O2 O 0.2856(2) 0.4530(3) 0.6561(3) 0.0866(15) Uani 1 1 d . . . . .
O3 O 0.1837(3) 0.3770(2) 0.5924(2) 0.0660(11) Uani 1 1 d . . . . .
O4 O 0.2026(2) 0.3946(2) 0.71524(18) 0.0523(9) Uani 1 1 d . . . . .
C65 C 0.1444(3) 0.4979(3) 0.6277(3) 0.0488(13) Uani 1 1 d . . . . .
Cl1 Cl 0.43912(8) 0.34476(8) 0.89766(6) 0.0519(3) Uani 1 1 d . . . . .
Cl2 Cl 0.30807(8) 0.43698(10) 0.89099(9) 0.0760(5) Uani 1 1 d . . . . .
C66 C 0.3496(3) 0.3784(3) 0.8434(3) 0.0484(12) Uani 1 1 d . . . . .
H66A H 0.3575 0.4046 0.8026 0.058 Uiso 1 1 calc R . . . .
H66B H 0.3139 0.3376 0.8246 0.058 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 P1 2.2933(9) . ?
Au1 C1 2.045(3) . ?
Au2 P2 2.2873(9) . ?
Au2 C2 2.049(3) . ?
P1 C29 1.818(4) . ?
P1 C35 1.820(4) . ?
P1 C41 1.815(4) . ?
P2 C47 1.816(4) . ?
P2 C53 1.815(4) . ?
P2 C59 1.821(4) . ?
O1 C3 1.218(4) . ?
N1 C1 1.427(4) . ?
N1 C4 1.318(4) . ?
N1 C5 1.470(4) . ?
N2 C3 1.445(4) . ?
N2 C4 1.330(4) . ?
N2 C17 1.461(4) . ?
C1 C2 1.361(5) . ?
C2 C3 1.449(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.395(5) . ?
C5 C10 1.396(5) . ?
C6 C7 1.395(5) . ?
C6 C14 1.519(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.382(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.381(6) . ?
C9 H9 0.9500 . ?
C9 C10 1.395(5) . ?
C10 C11 1.514(5) . ?
C11 H11 1.0000 . ?
C11 C12 1.525(6) . ?
C11 C13 1.532(6) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14 1.0000 . ?
C14 C15 1.520(7) . ?
C14 C16 1.514(7) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.389(5) . ?
C17 C22 1.394(5) . ?
C18 C19 1.397(5) . ?
C18 C26 1.516(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.377(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.395(5) . ?
C22 C23 1.512(6) . ?
C23 H23 1.0000 . ?
C23 C24 1.511(7) . ?
C23 C25 1.512(7) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26 1.0000 . ?
C26 C27 1.513(6) . ?
C26 C28 1.518(6) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.389(6) . ?
C29 C34 1.390(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.390(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.374(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.380(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.389(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.400(6) . ?
C35 C40 1.386(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.388(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.376(8) . ?
C38 H38 0.9500 . ?
C38 C39 1.378(9) . ?
C39 H39 0.9500 . ?
C39 C40 1.390(7) . ?
C40 H40 0.9500 . ?
C41 C42 1.396(5) . ?
C41 C46 1.393(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.397(6) . ?
C43 H43 0.9500 . ?
C43 C44 1.372(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.374(7) . ?
C45 H45 0.9500 . ?
C45 C46 1.393(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.389(5) . ?
C47 C52 1.399(5) . ?
C48 H48 0.9500 . ?
C48 C49 1.393(5) . ?
C49 H49 0.9500 . ?
C49 C50 1.378(6) . ?
C50 H50 0.9500 . ?
C50 C51 1.379(6) . ?
C51 H51 0.9500 . ?
C51 C52 1.393(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.394(5) . ?
C53 C58 1.398(5) . ?
C54 H54 0.9500 . ?
C54 C55 1.384(6) . ?
C55 H55 0.9500 . ?
C55 C56 1.378(6) . ?
C56 H56 0.9500 . ?
C56 C57 1.372(6) . ?
C57 H57 0.9500 . ?
C57 C58 1.392(6) . ?
C58 H58 0.9500 . ?
C59 C60 1.384(5) . ?
C59 C64 1.385(6) . ?
C60 H60 0.9500 . ?
C60 C61 1.388(6) . ?
C61 H61 0.9500 . ?
C61 C62 1.369(6) . ?
C62 H62 0.9500 . ?
C62 C63 1.371(7) . ?
C63 H63 0.9500 . ?
C63 C64 1.381(6) . ?
C64 H64 0.9500 . ?
S1 O2 1.389(4) . ?
S1 O3 1.501(4) . ?
S1 O4 1.394(4) . ?
S1 C65 1.798(6) . ?
F1 C65 1.289(6) . ?
F2 C65 1.381(7) . ?
F3 C65 1.285(6) . ?
Cl1 C66 1.761(5) . ?
Cl2 C66 1.753(5) . ?
C66 H66A 0.9900 . ?
C66 H66B 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
C1 Au1 P1 178.86(10) . . ?
C2 Au2 P2 176.71(10) . . ?
C29 P1 Au1 110.48(12) . . ?
C29 P1 C35 104.02(18) . . ?
C35 P1 Au1 114.43(13) . . ?
C41 P1 Au1 115.71(13) . . ?
C41 P1 C29 105.93(17) . . ?
C41 P1 C35 105.28(18) . . ?
C47 P2 Au2 115.35(12) . . ?
C47 P2 C59 104.56(16) . . ?
C53 P2 Au2 113.10(12) . . ?
C53 P2 C47 107.35(16) . . ?
C53 P2 C59 105.51(17) . . ?
C59 P2 Au2 110.18(12) . . ?
C1 N1 C5 121.1(3) . . ?
C4 N1 C1 122.3(3) . . ?
C4 N1 C5 116.6(3) . . ?
C3 N2 C17 119.3(3) . . ?
C4 N2 C3 122.3(3) . . ?
C4 N2 C17 118.1(3) . . ?
N1 C1 Au1 119.9(2) . . ?
C2 C1 Au1 122.0(3) . . ?
C2 C1 N1 118.0(3) . . ?
C1 C2 Au2 121.9(3) . . ?
C1 C2 C3 121.4(3) . . ?
C3 C2 Au2 116.7(2) . . ?
O1 C3 N2 117.5(3) . . ?
O1 C3 C2 127.6(3) . . ?
N2 C3 C2 114.8(3) . . ?
N1 C4 N2 121.2(3) . . ?
N1 C4 H4 119.4 . . ?
N2 C4 H4 119.4 . . ?
C6 C5 N1 117.9(3) . . ?
C6 C5 C10 123.6(3) . . ?
C10 C5 N1 118.5(3) . . ?
C5 C6 C14 122.9(3) . . ?
C7 C6 C5 116.9(4) . . ?
C7 C6 C14 120.1(3) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 C6 121.1(4) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.4(4) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.1(4) . . ?
C10 C9 H9 119.4 . . ?
C5 C10 C11 123.3(3) . . ?
C9 C10 C5 116.9(3) . . ?
C9 C10 C11 119.8(3) . . ?
C10 C11 H11 108.1 . . ?
C10 C11 C12 111.8(3) . . ?
C10 C11 C13 110.2(3) . . ?
C12 C11 H11 108.1 . . ?
C12 C11 C13 110.5(4) . . ?
C13 C11 H11 108.1 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C6 C14 H14 107.8 . . ?
C6 C14 C15 111.9(4) . . ?
C15 C14 H14 107.8 . . ?
C16 C14 C6 110.4(4) . . ?
C16 C14 H14 107.8 . . ?
C16 C14 C15 110.8(4) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 N2 117.1(3) . . ?
C18 C17 C22 124.0(3) . . ?
C22 C17 N2 119.0(3) . . ?
C17 C18 C19 116.9(4) . . ?
C17 C18 C26 122.8(3) . . ?
C19 C18 C26 120.2(4) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.7(4) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 119.7 . . ?
C21 C20 C19 120.6(4) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 H21 119.4 . . ?
C20 C21 C22 121.1(4) . . ?
C22 C21 H21 119.4 . . ?
C17 C22 C21 116.7(4) . . ?
C17 C22 C23 123.1(3) . . ?
C21 C22 C23 120.3(4) . . ?
C22 C23 H23 107.7 . . ?
C22 C23 C25 110.2(4) . . ?
C24 C23 C22 112.4(4) . . ?
C24 C23 H23 107.8 . . ?
C24 C23 C25 110.8(5) . . ?
C25 C23 H23 107.8 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C18 C26 H26 107.6 . . ?
C18 C26 C28 110.4(3) . . ?
C27 C26 C18 112.4(4) . . ?
C27 C26 H26 107.6 . . ?
C27 C26 C28 111.0(4) . . ?
C28 C26 H26 107.6 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 P1 117.9(3) . . ?
C30 C29 C34 119.8(4) . . ?
C34 C29 P1 122.2(3) . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.1(4) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 120.2 . . ?
C32 C31 C30 119.6(4) . . ?
C32 C31 H31 120.2 . . ?
C31 C32 H32 119.6 . . ?
C31 C32 C33 120.8(4) . . ?
C33 C32 H32 119.6 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.0(4) . . ?
C34 C33 H33 120.0 . . ?
C29 C34 H34 120.2 . . ?
C33 C34 C29 119.6(4) . . ?
C33 C34 H34 120.2 . . ?
C36 C35 P1 121.7(3) . . ?
C40 C35 P1 119.1(3) . . ?
C40 C35 C36 119.2(4) . . ?
C35 C36 H36 120.1 . . ?
C37 C36 C35 119.8(5) . . ?
C37 C36 H36 120.1 . . ?
C36 C37 H37 119.9 . . ?
C38 C37 C36 120.2(5) . . ?
C38 C37 H37 119.9 . . ?
C37 C38 H38 119.7 . . ?
C37 C38 C39 120.5(5) . . ?
C39 C38 H38 119.7 . . ?
C38 C39 H39 120.1 . . ?
C38 C39 C40 119.8(5) . . ?
C40 C39 H39 120.1 . . ?
C35 C40 C39 120.5(5) . . ?
C35 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C42 C41 P1 122.0(3) . . ?
C46 C41 P1 118.5(3) . . ?
C46 C41 C42 119.4(4) . . ?
C41 C42 H42 120.2 . . ?
C41 C42 C43 119.6(4) . . ?
C43 C42 H42 120.2 . . ?
C42 C43 H43 119.9 . . ?
C44 C43 C42 120.3(4) . . ?
C44 C43 H43 119.9 . . ?
C43 C44 H44 119.7 . . ?
C43 C44 C45 120.6(4) . . ?
C45 C44 H44 119.7 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.1(4) . . ?
C46 C45 H45 120.0 . . ?
C41 C46 H46 120.0 . . ?
C45 C46 C41 119.9(4) . . ?
C45 C46 H46 120.0 . . ?
C48 C47 P2 119.5(3) . . ?
C48 C47 C52 119.7(3) . . ?
C52 C47 P2 120.9(3) . . ?
C47 C48 H48 120.1 . . ?
C47 C48 C49 119.9(3) . . ?
C49 C48 H48 120.1 . . ?
C48 C49 H49 119.9 . . ?
C50 C49 C48 120.2(4) . . ?
C50 C49 H49 119.9 . . ?
C49 C50 H50 119.8 . . ?
C51 C50 C49 120.4(4) . . ?
C51 C50 H50 119.8 . . ?
C50 C51 H51 119.9 . . ?
C50 C51 C52 120.2(4) . . ?
C52 C51 H51 119.9 . . ?
C47 C52 H52 120.2 . . ?
C51 C52 C47 119.7(4) . . ?
C51 C52 H52 120.2 . . ?
C54 C53 P2 121.7(3) . . ?
C54 C53 C58 119.0(3) . . ?
C58 C53 P2 119.3(3) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 120.0(4) . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 119.6 . . ?
C56 C55 C54 120.8(4) . . ?
C56 C55 H55 119.6 . . ?
C55 C56 H56 120.1 . . ?
C57 C56 C55 119.7(4) . . ?
C57 C56 H56 120.1 . . ?
C56 C57 H57 119.7 . . ?
C56 C57 C58 120.6(4) . . ?
C58 C57 H57 119.7 . . ?
C53 C58 H58 120.0 . . ?
C57 C58 C53 119.9(4) . . ?
C57 C58 H58 120.0 . . ?
C60 C59 P2 121.3(3) . . ?
C60 C59 C64 118.5(4) . . ?
C64 C59 P2 119.9(3) . . ?
C59 C60 H60 119.7 . . ?
C59 C60 C61 120.6(4) . . ?
C61 C60 H60 119.7 . . ?
C60 C61 H61 119.8 . . ?
C62 C61 C60 120.4(4) . . ?
C62 C61 H61 119.8 . . ?
C61 C62 H62 120.3 . . ?
C61 C62 C63 119.4(4) . . ?
C63 C62 H62 120.3 . . ?
C62 C63 H63 119.6 . . ?
C62 C63 C64 120.8(4) . . ?
C64 C63 H63 119.6 . . ?
C59 C64 H64 119.8 . . ?
C63 C64 C59 120.4(4) . . ?
C63 C64 H64 119.8 . . ?
O2 S1 O3 109.0(3) . . ?
O2 S1 O4 121.7(3) . . ?
O2 S1 C65 107.6(3) . . ?
O3 S1 C65 98.7(3) . . ?
O4 S1 O3 110.2(3) . . ?
O4 S1 C65 107.0(2) . . ?
F1 C65 S1 115.0(4) . . ?
F1 C65 F2 102.2(4) . . ?
F2 C65 S1 107.6(4) . . ?
F3 C65 S1 114.4(4) . . ?
F3 C65 F1 113.6(5) . . ?
F3 C65 F2 102.3(4) . . ?
Cl1 C66 H66A 109.4 . . ?
Cl1 C66 H66B 109.4 . . ?
Cl2 C66 Cl1 111.0(3) . . ?
Cl2 C66 H66A 109.4 . . ?
Cl2 C66 H66B 109.4 . . ?
H66A C66 H66B 108.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C29 C30 -34.0(3) . . . . ?
Au1 P1 C29 C34 149.6(3) . . . . ?
Au1 P1 C35 C36 143.7(3) . . . . ?
Au1 P1 C35 C40 -36.7(4) . . . . ?
Au1 P1 C41 C42 155.8(3) . . . . ?
Au1 P1 C41 C46 -27.0(3) . . . . ?
Au1 C1 C2 Au2 5.9(4) . . . . ?
Au1 C1 C2 C3 -173.8(3) . . . . ?
Au2 P2 C47 C48 5.9(3) . . . . ?
Au2 P2 C47 C52 -176.0(3) . . . . ?
Au2 P2 C53 C54 -154.2(3) . . . . ?
Au2 P2 C53 C58 26.1(3) . . . . ?
Au2 P2 C59 C60 -96.6(3) . . . . ?
Au2 P2 C59 C64 77.7(4) . . . . ?
Au2 C2 C3 O1 -0.6(6) . . . . ?
Au2 C2 C3 N2 177.4(2) . . . . ?
P1 C29 C30 C31 -175.0(3) . . . . ?
P1 C29 C34 C33 174.2(3) . . . . ?
P1 C35 C36 C37 179.8(4) . . . . ?
P1 C35 C40 C39 179.9(4) . . . . ?
P1 C41 C42 C43 175.8(3) . . . . ?
P1 C41 C46 C45 -174.6(3) . . . . ?
P2 C47 C48 C49 177.8(3) . . . . ?
P2 C47 C52 C51 -177.6(3) . . . . ?
P2 C53 C54 C55 179.7(3) . . . . ?
P2 C53 C58 C57 179.7(3) . . . . ?
P2 C59 C60 C61 172.4(3) . . . . ?
P2 C59 C64 C63 -172.8(4) . . . . ?
N1 C1 C2 Au2 -177.5(2) . . . . ?
N1 C1 C2 C3 2.8(5) . . . . ?
N1 C5 C6 C7 179.5(3) . . . . ?
N1 C5 C6 C14 -0.3(5) . . . . ?
N1 C5 C10 C9 -179.1(3) . . . . ?
N1 C5 C10 C11 1.1(5) . . . . ?
N2 C17 C18 C19 179.8(3) . . . . ?
N2 C17 C18 C26 -1.9(5) . . . . ?
N2 C17 C22 C21 -179.6(3) . . . . ?
N2 C17 C22 C23 1.6(5) . . . . ?
C1 N1 C4 N2 -1.9(5) . . . . ?
C1 N1 C5 C6 91.7(4) . . . . ?
C1 N1 C5 C10 -89.1(4) . . . . ?
C1 C2 C3 O1 179.1(4) . . . . ?
C1 C2 C3 N2 -3.0(5) . . . . ?
C3 N2 C4 N1 1.6(5) . . . . ?
C3 N2 C17 C18 85.6(4) . . . . ?
C3 N2 C17 C22 -94.1(4) . . . . ?
C4 N1 C1 Au1 176.3(3) . . . . ?
C4 N1 C1 C2 -0.4(5) . . . . ?
C4 N1 C5 C6 -87.5(4) . . . . ?
C4 N1 C5 C10 91.7(4) . . . . ?
C4 N2 C3 O1 178.9(4) . . . . ?
C4 N2 C3 C2 0.7(5) . . . . ?
C4 N2 C17 C18 -88.9(4) . . . . ?
C4 N2 C17 C22 91.4(4) . . . . ?
C5 N1 C1 Au1 -2.8(4) . . . . ?
C5 N1 C1 C2 -179.5(3) . . . . ?
C5 N1 C4 N2 177.3(3) . . . . ?
C5 C6 C7 C8 -0.6(6) . . . . ?
C5 C6 C14 C15 119.6(5) . . . . ?
C5 C6 C14 C16 -116.5(4) . . . . ?
C5 C10 C11 C12 -120.4(4) . . . . ?
C5 C10 C11 C13 116.3(4) . . . . ?
C6 C5 C10 C9 0.0(5) . . . . ?
C6 C5 C10 C11 -179.7(4) . . . . ?
C6 C7 C8 C9 0.4(7) . . . . ?
C7 C6 C14 C15 -60.2(5) . . . . ?
C7 C6 C14 C16 63.7(5) . . . . ?
C7 C8 C9 C10 0.1(6) . . . . ?
C8 C9 C10 C5 -0.3(6) . . . . ?
C8 C9 C10 C11 179.5(4) . . . . ?
C9 C10 C11 C12 59.8(5) . . . . ?
C9 C10 C11 C13 -63.5(5) . . . . ?
C10 C5 C6 C7 0.4(6) . . . . ?
C10 C5 C6 C14 -179.4(4) . . . . ?
C14 C6 C7 C8 179.3(4) . . . . ?
C17 N2 C3 O1 4.7(5) . . . . ?
C17 N2 C3 C2 -173.5(3) . . . . ?
C17 N2 C4 N1 175.9(3) . . . . ?
C17 C18 C19 C20 -0.2(6) . . . . ?
C17 C18 C26 C27 124.7(4) . . . . ?
C17 C18 C26 C28 -110.8(4) . . . . ?
C17 C22 C23 C24 -127.6(5) . . . . ?
C17 C22 C23 C25 108.3(5) . . . . ?
C18 C17 C22 C21 0.7(5) . . . . ?
C18 C17 C22 C23 -178.1(4) . . . . ?
C18 C19 C20 C21 0.5(6) . . . . ?
C19 C18 C26 C27 -57.1(5) . . . . ?
C19 C18 C26 C28 67.4(5) . . . . ?
C19 C20 C21 C22 -0.2(6) . . . . ?
C20 C21 C22 C17 -0.3(6) . . . . ?
C20 C21 C22 C23 178.5(4) . . . . ?
C21 C22 C23 C24 53.6(6) . . . . ?
C21 C22 C23 C25 -70.5(6) . . . . ?
C22 C17 C18 C19 -0.4(6) . . . . ?
C22 C17 C18 C26 177.9(3) . . . . ?
C26 C18 C19 C20 -178.5(4) . . . . ?
C29 P1 C35 C36 23.1(4) . . . . ?
C29 P1 C35 C40 -157.3(3) . . . . ?
C29 P1 C41 C42 -81.4(3) . . . . ?
C29 P1 C41 C46 95.8(3) . . . . ?
C29 C30 C31 C32 0.1(6) . . . . ?
C30 C29 C34 C33 -2.2(6) . . . . ?
C30 C31 C32 C33 -1.1(7) . . . . ?
C31 C32 C33 C34 0.4(7) . . . . ?
C32 C33 C34 C29 1.2(6) . . . . ?
C34 C29 C30 C31 1.5(6) . . . . ?
C35 P1 C29 C30 89.2(3) . . . . ?
C35 P1 C29 C34 -87.2(3) . . . . ?
C35 P1 C41 C42 28.4(4) . . . . ?
C35 P1 C41 C46 -154.4(3) . . . . ?
C35 C36 C37 C38 0.9(7) . . . . ?
C36 C35 C40 C39 -0.5(7) . . . . ?
C36 C37 C38 C39 -1.8(8) . . . . ?
C37 C38 C39 C40 1.5(8) . . . . ?
C38 C39 C40 C35 -0.3(7) . . . . ?
C40 C35 C36 C37 0.2(7) . . . . ?
C41 P1 C29 C30 -160.1(3) . . . . ?
C41 P1 C29 C34 23.6(4) . . . . ?
C41 P1 C35 C36 -88.1(4) . . . . ?
C41 P1 C35 C40 91.5(4) . . . . ?
C41 C42 C43 C44 -0.5(6) . . . . ?
C42 C41 C46 C45 2.6(6) . . . . ?
C42 C43 C44 C45 1.1(7) . . . . ?
C43 C44 C45 C46 0.2(7) . . . . ?
C44 C45 C46 C41 -2.1(6) . . . . ?
C46 C41 C42 C43 -1.4(6) . . . . ?
C47 P2 C53 C54 77.4(3) . . . . ?
C47 P2 C53 C58 -102.3(3) . . . . ?
C47 P2 C59 C60 27.9(4) . . . . ?
C47 P2 C59 C64 -157.8(4) . . . . ?
C47 C48 C49 C50 -0.2(6) . . . . ?
C48 C47 C52 C51 0.5(6) . . . . ?
C48 C49 C50 C51 0.6(6) . . . . ?
C49 C50 C51 C52 -0.5(6) . . . . ?
C50 C51 C52 C47 -0.1(6) . . . . ?
C52 C47 C48 C49 -0.3(5) . . . . ?
C53 P2 C47 C48 133.0(3) . . . . ?
C53 P2 C47 C52 -48.9(3) . . . . ?
C53 P2 C59 C60 141.0(3) . . . . ?
C53 P2 C59 C64 -44.7(4) . . . . ?
C53 C54 C55 C56 0.2(6) . . . . ?
C54 C53 C58 C57 0.0(6) . . . . ?
C54 C55 C56 C57 0.8(7) . . . . ?
C55 C56 C57 C58 -1.4(7) . . . . ?
C56 C57 C58 C53 1.0(7) . . . . ?
C58 C53 C54 C55 -0.6(6) . . . . ?
C59 P2 C47 C48 -115.2(3) . . . . ?
C59 P2 C47 C52 62.8(3) . . . . ?
C59 P2 C53 C54 -33.7(3) . . . . ?
C59 P2 C53 C58 146.6(3) . . . . ?
C59 C60 C61 C62 0.9(7) . . . . ?
C60 C59 C64 C63 1.6(7) . . . . ?
C60 C61 C62 C63 0.5(7) . . . . ?
C61 C62 C63 C64 -0.8(8) . . . . ?
C62 C63 C64 C59 -0.3(8) . . . . ?
C64 C59 C60 C61 -1.9(6) . . . . ?
O2 S1 C65 F1 45.9(5) . . . . ?
O2 S1 C65 F2 -67.2(4) . . . . ?
O2 S1 C65 F3 179.9(5) . . . . ?
O3 S1 C65 F1 -67.4(5) . . . . ?
O3 S1 C65 F2 179.6(3) . . . . ?
O3 S1 C65 F3 66.6(5) . . . . ?
O4 S1 C65 F1 178.3(4) . . . . ?
O4 S1 C65 F2 65.2(4) . . . . ?
O4 S1 C65 F3 -47.7(5) . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'
