# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_complex2
_database_code_depnum_ccdc_archive 'CCDC 2062337'
loop_
_audit_author_name
_audit_author_address
'Vincent Lynch'
;University of Texas at Austin
United States of America
;
_audit_update_record             
;
2021-02-10 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT430_shelx               
;
PROBLEM: Short Inter D...A Contact  O2     ..  O4      ..       2.47 Ang.  
RESPONSE: There is an H-bonding interaction between these two atoms that 
appears to be disordered between them.  The hydrogen atom could not be 
located in the difference electron density map and was not included in 
the refinement model.
;
_vrf_PLAT910_shelx               
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         25 Note  
RESPONSE: These reflections were probably blocked by the beam stop.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2 C27 H36 N2, C14 H15 N2 O2 1-, C14 H16 N2 O2, 2 Au 1+, Br 1-'
_chemical_formula_sum            'C82 H102 Au2 Br N8 O4'
_chemical_formula_weight         1737.55

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'
Br Br -0.2901 2.4595 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   13.630(2)
_cell_length_b                   15.952(2)
_cell_length_c                   19.288(3)
_cell_angle_alpha                86.368(4)
_cell_angle_beta                 88.416(4)
_cell_angle_gamma                78.854(3)
_cell_volume                     4105.8(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    15657
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.5

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_F_000             1750
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    4.106
_shelx_estimated_absorpt_T_min   0.320
_shelx_estimated_absorpt_T_max   0.709
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.607
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_process_details   
;
Abscor. T. Higashi (2001). The Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine focus sealed tube'
_diffrn_measurement_device_type  'Rigaku AFC-12 with Saturn 724+ CCD'
_diffrn_measurement_method       ω-scans
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            65764
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.007
_diffrn_reflns_theta_max         27.493
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             18451
_reflns_number_gt                16450
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'

_computing_structure_solution    
;

Sheldrick. G. M.  (2015) SHELXT. Acta Cryst. A71, 3-8.

Sluis, P. v. d. and Spek, T. (1990). Squeeze.  Acta Cryst. A46, 194-201.

;
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2015)'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  'XP SHELXTL/PC, Siemens Analytical'


# SQUEEZE RESULTS (Version = 300517)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.009 0.301 0.609 120 57 ' '
2 -0.009 0.699 0.391 119 57 ' '
3 0.269 0.245 0.884 12 0 ' '
4 0.730 0.755 0.116 11 0 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
Two molecules of DCM were badly disordered and could not be 
modeled adequately.  SQUEEZE was used to remove their 
contributions to the scattering factors.
;




_refine_special_details          
;         
  Two molecules of what appeared to be diethyl ether were found to be 
badly disordered.  Attempts 
to model the disorder were unsatisfactory.  The contributions to the 
scattering factors due to these solvent molecules were removed by use of 
the utility SQUEEZE (Sluis and Spek, 1990) in PLATON (Spek, 2009).  
PLATON was used as incorporated in WinGX (Farrugia, 1999).

The Br ion, an isopropyl group on complex 1 with Au1 and the 2,6-di-
isopropyl benzene group were disordered.  The disorder was modeled in 
essentially the same way for each component.  For example, for the 
2,6-diisopropyl benzene group, the site occupancy factors for the 
non-H atoms were set to equal the variable x.  The site occupancy factors 
for the alternate component were set to (1-x).  A common isotropic 
displacement parameter was refined for all atoms involved in 
the disorder while refining x.  The geometry of the two components 
was restrained to be equivalent throughout the refinement process.  
Upon convergence of the variable x, the site occupancy factors 
were fixed for the remainder of the refinement.  Displacement 
parameters for the non-H atoms of the disordered groups were 
restrained to be equivalent in the final refinement model.  The 
displacement parameters for the disordered Br ions were constrained 
to be equal in the final refinement model. 
;




_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0494P)²+16.8991P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18451
_refine_ls_number_parameters     1062
_refine_ls_number_restraints     1188
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0387
_refine_ls_wR_factor_ref         0.1048
_refine_ls_wR_factor_gt          0.1014
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.046
_refine_ls_shift/su_mean         0.001

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
C1 C -0.0507(3) 0.2916(3) 0.2572(2) 0.0244(8) Uani 1 1 d . U . . .
C2 C -0.1289(4) 0.3420(3) 0.3553(2) 0.0317(10) Uani 1 1 d . U . . .
H2 H -0.168110 0.345059 0.396920 0.038 Uiso 1 1 calc R U . . .
C3 C -0.0795(3) 0.4021(3) 0.3278(2) 0.0292(9) Uani 1 1 d . U . . .
H3 H -0.077225 0.455587 0.346078 0.035 Uiso 1 1 calc R U . . .
C4 C -0.1419(4) 0.1932(3) 0.3228(2) 0.0289(9) Uani 1 1 d . U . . .
C5 C -0.0729(4) 0.1247(3) 0.3531(3) 0.0343(10) Uani 1 1 d D U . . .
C6 C -0.1013(4) 0.0455(4) 0.3603(3) 0.0432(13) Uani 1 1 d . U . . .
H6 H -0.056533 -0.002287 0.380633 0.052 Uiso 1 1 calc R U . . .
C7 C -0.1936(4) 0.0350(4) 0.3384(3) 0.0465(13) Uani 1 1 d . U . . .
H7 H -0.211271 -0.019888 0.342904 0.056 Uiso 1 1 calc R U . . .
C8 C -0.2603(4) 0.1042(4) 0.3100(3) 0.0443(13) Uani 1 1 d . U . . .
H8 H -0.323788 0.096155 0.295764 0.053 Uiso 1 1 calc R U . . .
C9 C -0.2368(4) 0.1851(3) 0.3018(3) 0.0316(10) Uani 1 1 d . U . . .
C10 C 0.0282(12) 0.136(5) 0.380(2) 0.043(3) Uani 0.52 1 d D U P A 1
H10 H 0.036303 0.193464 0.358544 0.052 Uiso 0.52 1 calc R U P A 1
C11 C 0.112(3) 0.077(3) 0.3510(14) 0.049(4) Uani 0.52 1 d D U P A 1
H11A H 0.174880 0.095367 0.360439 0.074 Uiso 0.52 1 calc R U P A 1
H11B H 0.104714 0.075753 0.300731 0.074 Uiso 0.52 1 calc R U P A 1
H11C H 0.113947 0.019285 0.372689 0.074 Uiso 0.52 1 calc R U P A 1
C12 C 0.0281(10) 0.1464(11) 0.4544(8) 0.056(3) Uani 0.52 1 d D U P A 1
H12A H 0.011437 0.095390 0.479363 0.084 Uiso 0.52 1 calc R U P A 1
H12B H -0.021714 0.196840 0.465907 0.084 Uiso 0.52 1 calc R U P A 1
H12C H 0.094456 0.153722 0.468150 0.084 Uiso 0.52 1 calc R U P A 1
C10A C 0.0307(13) 0.133(6) 0.377(3) 0.042(3) Uani 0.48 1 d D U P A 2
H10A H 0.040997 0.193091 0.371310 0.051 Uiso 0.48 1 calc R U P A 2
C11A C 0.114(4) 0.071(3) 0.3392(14) 0.048(4) Uani 0.48 1 d D U P A 2
H11D H 0.101330 0.012436 0.345520 0.072 Uiso 0.48 1 calc R U P A 2
H11E H 0.179035 0.073041 0.358562 0.072 Uiso 0.48 1 calc R U P A 2
H11F H 0.113807 0.088276 0.289572 0.072 Uiso 0.48 1 calc R U P A 2
C12A C 0.0427(11) 0.0964(12) 0.4580(8) 0.058(3) Uani 0.48 1 d D U P A 2
H12D H 0.097726 0.117229 0.478730 0.087 Uiso 0.48 1 calc R U P A 2
H12E H 0.057233 0.033721 0.460274 0.087 Uiso 0.48 1 calc R U P A 2
H12F H -0.019520 0.116571 0.483743 0.087 Uiso 0.48 1 calc R U P A 2
C13 C -0.3103(4) 0.2602(3) 0.2694(3) 0.0330(10) Uani 1 1 d . U . . .
H13 H -0.294623 0.313845 0.286715 0.040 Uiso 1 1 calc R U . . .
C14 C -0.2973(4) 0.2647(4) 0.1900(3) 0.0421(12) Uani 1 1 d . U . . .
H14A H -0.228943 0.271689 0.177684 0.063 Uiso 1 1 calc R U . . .
H14B H -0.344945 0.313572 0.169857 0.063 Uiso 1 1 calc R U . . .
H14C H -0.309585 0.211781 0.171798 0.063 Uiso 1 1 calc R U . . .
C15 C -0.4186(4) 0.2567(4) 0.2901(4) 0.0523(15) Uani 1 1 d . U . . .
H15A H -0.437467 0.206743 0.270846 0.078 Uiso 1 1 calc R U . . .
H15B H -0.462757 0.308900 0.271809 0.078 Uiso 1 1 calc R U . . .
H15C H -0.425053 0.252187 0.340845 0.078 Uiso 1 1 calc R U . . .
C16 C 0.0342(3) 0.4117(3) 0.2239(2) 0.0236(8) Uani 1 1 d . U . . .
C17 C -0.0062(3) 0.4659(3) 0.1671(2) 0.0261(9) Uani 1 1 d . U . . .
C18 C 0.0605(4) 0.5045(3) 0.1262(2) 0.0319(10) Uani 1 1 d . U . . .
H18 H 0.036035 0.543192 0.088357 0.038 Uiso 1 1 calc R U . . .
C19 C 0.1614(4) 0.4873(3) 0.1398(3) 0.0327(10) Uani 1 1 d . U . . .
H19 H 0.205706 0.513357 0.110622 0.039 Uiso 1 1 calc R U . . .
C20 C 0.1988(3) 0.4324(3) 0.1956(2) 0.0296(9) Uani 1 1 d . U . . .
H20 H 0.268565 0.420962 0.204213 0.036 Uiso 1 1 calc R U . . .
C21 C 0.1350(3) 0.3937(3) 0.2393(2) 0.0255(9) Uani 1 1 d . U . . .
C22 C -0.1162(3) 0.4847(3) 0.1515(2) 0.0292(9) Uani 1 1 d . U . . .
H22 H -0.149319 0.446409 0.183456 0.035 Uiso 1 1 calc R U . . .
C23 C -0.1351(4) 0.4655(4) 0.0768(3) 0.0494(15) Uani 1 1 d . U . . .
H23A H -0.104125 0.502992 0.044381 0.074 Uiso 1 1 calc R U . . .
H23B H -0.207235 0.475757 0.068917 0.074 Uiso 1 1 calc R U . . .
H23C H -0.105907 0.405636 0.069180 0.074 Uiso 1 1 calc R U . . .
C24 C -0.1628(4) 0.5779(3) 0.1659(3) 0.0405(12) Uani 1 1 d . U . . .
H24A H -0.153513 0.587494 0.214795 0.061 Uiso 1 1 calc R U . . .
H24B H -0.234391 0.588692 0.155973 0.061 Uiso 1 1 calc R U . . .
H24C H -0.130123 0.616787 0.136167 0.061 Uiso 1 1 calc R U . . .
C25 C 0.1770(3) 0.3358(3) 0.3017(2) 0.0297(9) Uani 1 1 d . U . . .
H25 H 0.119572 0.319239 0.328974 0.036 Uiso 1 1 calc R U . . .
C26 C 0.2335(5) 0.3833(4) 0.3489(3) 0.0490(14) Uani 1 1 d . U . . .
H26A H 0.295337 0.393057 0.325497 0.074 Uiso 1 1 calc R U . . .
H26B H 0.249769 0.348728 0.392404 0.074 Uiso 1 1 calc R U . . .
H26C H 0.191444 0.438363 0.359119 0.074 Uiso 1 1 calc R U . . .
C27 C 0.2439(5) 0.2547(4) 0.2787(3) 0.0547(16) Uani 1 1 d . U . . .
H27A H 0.206104 0.224959 0.249133 0.082 Uiso 1 1 calc R U . . .
H27B H 0.267299 0.217398 0.319609 0.082 Uiso 1 1 calc R U . . .
H27C H 0.301450 0.269365 0.252462 0.082 Uiso 1 1 calc R U . . .
C28 C 0.0541(3) 0.1159(3) 0.1210(2) 0.0224(8) Uani 1 1 d . U . . .
C29 C 0.1528(3) 0.0286(3) 0.0486(2) 0.0281(9) Uani 1 1 d . U . . .
H29 H 0.207237 0.005963 0.019179 0.034 Uiso 1 1 calc R U . . .
C30 C 0.0712(3) -0.0050(3) 0.0650(2) 0.0271(9) Uani 1 1 d . U . . .
H30 H 0.056711 -0.056156 0.048691 0.032 Uiso 1 1 calc R U . . .
C31 C -0.0894(3) 0.0416(3) 0.1311(2) 0.0263(9) Uani 1 1 d . U . . .
H31A H -0.102215 0.060908 0.178839 0.032 Uiso 1 1 calc R U . . .
H31B H -0.096373 -0.019051 0.131710 0.032 Uiso 1 1 calc R U . . .
C32 C -0.1669(3) 0.0953(3) 0.0824(2) 0.0231(8) Uani 1 1 d . U . . .
C33 C 0.2104(3) 0.1612(3) 0.0806(2) 0.0272(9) Uani 1 1 d . U . . .
C34 C 0.2982(4) 0.1378(4) 0.1189(2) 0.0344(11) Uani 1 1 d . U . . .
C35 C 0.3662(4) 0.1931(4) 0.1129(3) 0.0423(13) Uani 1 1 d . U . . .
H35 H 0.427670 0.177778 0.136813 0.051 Uiso 1 1 calc R U . . .
C36 C 0.3466(4) 0.2693(4) 0.0733(3) 0.0440(14) Uani 1 1 d . U . . .
C37 C 0.2578(5) 0.2903(4) 0.0360(3) 0.0441(13) Uani 1 1 d . U . . .
H37 H 0.244622 0.342271 0.007936 0.053 Uiso 1 1 calc R U . . .
C38 C 0.1883(4) 0.2368(3) 0.0391(3) 0.0351(11) Uani 1 1 d . U . . .
C39 C 0.3175(4) 0.0591(4) 0.1666(3) 0.0428(13) Uani 1 1 d . U . . .
H39A H 0.288659 0.072588 0.212577 0.064 Uiso 1 1 calc R U . . .
H39B H 0.389799 0.038413 0.170462 0.064 Uiso 1 1 calc R U . . .
H39C H 0.286800 0.014720 0.147992 0.064 Uiso 1 1 calc R U . . .
C40 C 0.4216(5) 0.3276(5) 0.0690(4) 0.067(2) Uani 1 1 d . U . . .
H40A H 0.460295 0.319519 0.111819 0.100 Uiso 1 1 calc R U . . .
H40B H 0.386413 0.387227 0.063268 0.100 Uiso 1 1 calc R U . . .
H40C H 0.466862 0.313979 0.029217 0.100 Uiso 1 1 calc R U . . .
C41 C 0.0938(5) 0.2592(4) -0.0017(3) 0.0495(15) Uani 1 1 d . U . . .
H41A H 0.083599 0.319451 -0.018613 0.074 Uiso 1 1 calc R U . . .
H41B H 0.037032 0.249944 0.028199 0.074 Uiso 1 1 calc R U . . .
H41C H 0.098855 0.222933 -0.041263 0.074 Uiso 1 1 calc R U . . .
C42 C 0.3908(3) -0.3172(3) 0.2867(2) 0.0267(9) Uani 1 1 d . U . . .
C43 C 0.3125(3) -0.3970(3) 0.3625(3) 0.0310(10) Uani 1 1 d . U . . .
H43 H 0.293135 -0.423488 0.404867 0.037 Uiso 1 1 calc R U . . .
C44 C 0.2777(4) -0.4031(3) 0.2986(3) 0.0311(10) Uani 1 1 d . U . . .
H44 H 0.228744 -0.434774 0.287130 0.037 Uiso 1 1 calc R U . . .
C45 C 0.4454(3) -0.3273(3) 0.4088(2) 0.0254(9) Uani 1 1 d . U . . .
C46 C 0.5375(4) -0.3815(3) 0.4182(2) 0.0284(9) Uani 1 1 d . U . . .
C47 C 0.5964(4) -0.3653(3) 0.4717(3) 0.0345(10) Uani 1 1 d . U . . .
H47 H 0.660012 -0.400872 0.479688 0.041 Uiso 1 1 calc R U . . .
C48 C 0.5631(4) -0.2979(3) 0.5133(3) 0.0384(11) Uani 1 1 d . U . . .
H48 H 0.603370 -0.288340 0.550307 0.046 Uiso 1 1 calc R U . . .
C49 C 0.4716(4) -0.2441(3) 0.5018(2) 0.0344(10) Uani 1 1 d . U . . .
H49 H 0.450759 -0.197275 0.530363 0.041 Uiso 1 1 calc R U . . .
C50 C 0.4095(3) -0.2575(3) 0.4488(2) 0.0283(9) Uani 1 1 d . U . . .
C51 C 0.5745(4) -0.4568(3) 0.3731(3) 0.0335(10) Uani 1 1 d . U . . .
H51 H 0.519522 -0.460252 0.340763 0.040 Uiso 1 1 calc R U . . .
C52 C 0.6646(4) -0.4408(4) 0.3288(3) 0.0425(13) Uani 1 1 d . U . . .
H52A H 0.645000 -0.389165 0.298235 0.064 Uiso 1 1 calc R U . . .
H52B H 0.688408 -0.489946 0.300677 0.064 Uiso 1 1 calc R U . . .
H52C H 0.718259 -0.433075 0.359211 0.064 Uiso 1 1 calc R U . . .
C53 C 0.5983(6) -0.5414(4) 0.4155(3) 0.0531(16) Uani 1 1 d . U . . .
H53A H 0.656720 -0.542271 0.444236 0.080 Uiso 1 1 calc R U . . .
H53B H 0.612748 -0.588442 0.384170 0.080 Uiso 1 1 calc R U . . .
H53C H 0.540820 -0.548254 0.445513 0.080 Uiso 1 1 calc R U . . .
C54 C 0.3103(4) -0.1984(3) 0.4354(3) 0.0371(11) Uani 1 1 d D U . . .
H54 H 0.284811 -0.211127 0.389883 0.045 Uiso 1 1 d R U . B .
C55 C 0.2348(8) -0.2254(8) 0.4901(6) 0.049(3) Uani 0.54 1 d D U P B 1
H55A H 0.229008 -0.284779 0.484331 0.074 Uiso 0.54 1 calc R U P B 1
H55B H 0.169274 -0.187944 0.483689 0.074 Uiso 0.54 1 calc R U P B 1
H55C H 0.258562 -0.220375 0.536915 0.074 Uiso 0.54 1 calc R U P B 1
C56 C 0.3171(10) -0.1037(5) 0.4449(7) 0.058(3) Uani 0.54 1 d D U P B 1
H56A H 0.317561 -0.094103 0.494561 0.087 Uiso 0.54 1 calc R U P B 1
H56B H 0.259206 -0.065796 0.423444 0.087 Uiso 0.54 1 calc R U P B 1
H56C H 0.378675 -0.091450 0.422664 0.087 Uiso 0.54 1 calc R U P B 1
C55A C 0.2454(12) -0.1728(11) 0.5001(7) 0.064(4) Uani 0.46 1 d D U P B 2
H55D H 0.237263 -0.224424 0.528212 0.096 Uiso 0.46 1 calc R U P B 2
H55E H 0.179621 -0.140895 0.485579 0.096 Uiso 0.46 1 calc R U P B 2
H55F H 0.277995 -0.136775 0.527632 0.096 Uiso 0.46 1 calc R U P B 2
C56A C 0.3309(8) -0.1160(6) 0.3947(7) 0.043(3) Uani 0.46 1 d D U P B 2
H56D H 0.366856 -0.084858 0.424441 0.065 Uiso 0.46 1 calc R U P B 2
H56E H 0.267319 -0.079404 0.380916 0.065 Uiso 0.46 1 calc R U P B 2
H56F H 0.371621 -0.131789 0.353170 0.065 Uiso 0.46 1 calc R U P B 2
C57 C 0.3059(7) -0.3392(5) 0.1830(5) 0.0261(19) Uani 0.52 1 d D U P C 1
C58 C 0.3798(7) -0.3819(5) 0.1390(4) 0.0292(18) Uani 0.52 1 d D U P C 1
C59 C 0.3620(8) -0.3716(6) 0.0675(5) 0.0342(18) Uani 0.52 1 d D U P C 1
H59 H 0.410200 -0.399597 0.035871 0.041 Uiso 0.52 1 calc R U P C 1
C60 C 0.2740(9) -0.3205(6) 0.0427(5) 0.0340(18) Uani 0.52 1 d D U P C 1
H60 H 0.262953 -0.313910 -0.005944 0.041 Uiso 0.52 1 calc R U P C 1
C61 C 0.2032(8) -0.2797(6) 0.0870(5) 0.0362(19) Uani 0.52 1 d D U P C 1
H61 H 0.143970 -0.245282 0.068421 0.043 Uiso 0.52 1 calc R U P C 1
C62 C 0.2157(7) -0.2873(5) 0.1600(5) 0.0310(18) Uani 0.52 1 d D U P C 1
C63 C 0.4775(8) -0.4373(6) 0.1674(5) 0.031(2) Uani 0.52 1 d D U P C 1
H63 H 0.501739 -0.402454 0.202232 0.038 Uiso 0.52 1 calc R U P C 1
C64 C 0.5615(10) -0.4541(10) 0.1126(8) 0.051(3) Uani 0.52 1 d D U P C 1
H64A H 0.622672 -0.485604 0.134643 0.077 Uiso 0.52 1 calc R U P C 1
H64B H 0.573581 -0.399420 0.091479 0.077 Uiso 0.52 1 calc R U P C 1
H64C H 0.541796 -0.487979 0.076568 0.077 Uiso 0.52 1 calc R U P C 1
C65 C 0.4656(13) -0.5177(10) 0.2055(10) 0.040(3) Uani 0.52 1 d D U P C 1
H65A H 0.422225 -0.504739 0.246360 0.060 Uiso 0.52 1 calc R U P C 1
H65B H 0.531232 -0.549464 0.220424 0.060 Uiso 0.52 1 calc R U P C 1
H65C H 0.435426 -0.552350 0.175155 0.060 Uiso 0.52 1 calc R U P C 1
C66 C 0.1390(7) -0.2418(6) 0.2090(6) 0.039(2) Uani 0.52 1 d D U P C 1
H66 H 0.141053 -0.276075 0.254427 0.047 Uiso 0.52 1 calc R U P C 1
C67 C 0.0329(8) -0.2244(8) 0.1814(8) 0.051(3) Uani 0.52 1 d D U P C 1
H67A H 0.029487 -0.186595 0.139090 0.076 Uiso 0.52 1 calc R U P C 1
H67B H -0.013522 -0.196846 0.216564 0.076 Uiso 0.52 1 calc R U P C 1
H67C H 0.014490 -0.278544 0.170720 0.076 Uiso 0.52 1 calc R U P C 1
C68 C 0.1695(9) -0.1535(6) 0.2203(7) 0.045(3) Uani 0.52 1 d D U P C 1
H68A H 0.235823 -0.163579 0.241145 0.067 Uiso 0.52 1 calc R U P C 1
H68B H 0.120513 -0.120668 0.251292 0.067 Uiso 0.52 1 calc R U P C 1
H68C H 0.171189 -0.121285 0.175438 0.067 Uiso 0.52 1 calc R U P C 1
C57A C 0.3304(7) -0.3538(5) 0.1725(5) 0.027(2) Uani 0.48 1 d D U P C 2
C58A C 0.4072(7) -0.4058(6) 0.1371(5) 0.0295(18) Uani 0.48 1 d D U P C 2
C59A C 0.3981(8) -0.4043(6) 0.0650(5) 0.0359(19) Uani 0.48 1 d D U P C 2
H59A H 0.448280 -0.438664 0.038437 0.043 Uiso 0.48 1 calc R U P C 2
C60A C 0.3164(9) -0.3532(7) 0.0317(5) 0.035(2) Uani 0.48 1 d D U P C 2
H60A H 0.312238 -0.353360 -0.017411 0.042 Uiso 0.48 1 calc R U P C 2
C61A C 0.2420(9) -0.3026(6) 0.0676(6) 0.034(2) Uani 0.48 1 d D U P C 2
H61A H 0.187438 -0.268090 0.043375 0.040 Uiso 0.48 1 calc R U P C 2
C62A C 0.2462(8) -0.3015(6) 0.1413(5) 0.0310(18) Uani 0.48 1 d D U P C 2
C63A C 0.4981(8) -0.4614(8) 0.1743(6) 0.037(2) Uani 0.48 1 d D U P C 2
H63A H 0.520108 -0.423542 0.207752 0.044 Uiso 0.48 1 calc R U P C 2
C64A C 0.5878(10) -0.4864(10) 0.1248(8) 0.046(3) Uani 0.48 1 d D U P C 2
H64D H 0.644433 -0.519402 0.151073 0.069 Uiso 0.48 1 calc R U P C 2
H64E H 0.606546 -0.434567 0.102820 0.069 Uiso 0.48 1 calc R U P C 2
H64F H 0.569616 -0.521260 0.088933 0.069 Uiso 0.48 1 calc R U P C 2
C65A C 0.4773(13) -0.5359(12) 0.2167(11) 0.036(3) Uani 0.48 1 d D U P C 2
H65D H 0.418136 -0.518258 0.246219 0.055 Uiso 0.48 1 calc R U P C 2
H65E H 0.534885 -0.559571 0.245944 0.055 Uiso 0.48 1 calc R U P C 2
H65F H 0.464928 -0.579462 0.186215 0.055 Uiso 0.48 1 calc R U P C 2
C66A C 0.1664(8) -0.2461(6) 0.1821(6) 0.036(2) Uani 0.48 1 d D U P C 2
H66A H 0.162396 -0.272613 0.230191 0.043 Uiso 0.48 1 calc R U P C 2
C67A C 0.0637(9) -0.2313(9) 0.1492(8) 0.053(3) Uani 0.48 1 d D U P C 2
H67D H 0.066362 -0.201864 0.103261 0.079 Uiso 0.48 1 calc R U P C 2
H67E H 0.014796 -0.196006 0.178805 0.079 Uiso 0.48 1 calc R U P C 2
H67F H 0.043781 -0.286467 0.144545 0.079 Uiso 0.48 1 calc R U P C 2
C68A C 0.2009(11) -0.1581(7) 0.1855(9) 0.053(3) Uani 0.48 1 d D U P C 2
H68D H 0.265508 -0.167175 0.208578 0.079 Uiso 0.48 1 calc R U P C 2
H68E H 0.151111 -0.119115 0.211690 0.079 Uiso 0.48 1 calc R U P C 2
H68F H 0.207498 -0.133091 0.138239 0.079 Uiso 0.48 1 calc R U P C 2
C69 C 0.5428(3) -0.1488(3) 0.1922(2) 0.0254(9) Uani 1 1 d . U . . .
C70 C 0.6024(3) -0.0659(3) 0.1098(2) 0.0303(10) Uani 1 1 d . U . . .
H70 H 0.616055 -0.041151 0.065316 0.036 Uiso 1 1 calc R U . . .
C71 C 0.6340(3) -0.0467(3) 0.1710(3) 0.0308(10) Uani 1 1 d . U . . .
H71 H 0.674256 -0.005658 0.178096 0.037 Uiso 1 1 calc R U . . .
C72 C 0.5048(4) -0.1726(3) 0.0706(2) 0.0282(9) Uani 1 1 d . U . . .
H72A H 0.477333 -0.220442 0.093698 0.034 Uiso 1 1 calc R U . . .
H72B H 0.559657 -0.197492 0.038970 0.034 Uiso 1 1 calc R U . . .
C73 C 0.4223(3) -0.1157(3) 0.0271(2) 0.0238(8) Uani 1 1 d . U . . .
C74 C 0.6188(3) -0.1040(3) 0.2946(2) 0.0260(9) Uani 1 1 d . U . . .
C75 C 0.6957(3) -0.1691(3) 0.3196(3) 0.0291(9) Uani 1 1 d . U . . .
C76 C 0.7147(3) -0.1742(3) 0.3912(3) 0.0309(10) Uani 1 1 d . U . . .
H76 H 0.765658 -0.218724 0.409532 0.037 Uiso 1 1 calc R U . . .
C77 C 0.6623(3) -0.1170(3) 0.4356(2) 0.0319(10) Uani 1 1 d . U . . .
C78 C 0.5868(3) -0.0527(3) 0.4084(2) 0.0306(10) Uani 1 1 d . U . . .
H78 H 0.549648 -0.013257 0.438798 0.037 Uiso 1 1 calc R U . . .
C79 C 0.5641(3) -0.0443(3) 0.3381(2) 0.0288(9) Uani 1 1 d . U . . .
C80 C 0.7568(4) -0.2303(4) 0.2715(3) 0.0410(12) Uani 1 1 d . U . . .
H80A H 0.712675 -0.260808 0.248017 0.062 Uiso 1 1 calc R U . . .
H80B H 0.806197 -0.271569 0.298390 0.062 Uiso 1 1 calc R U . . .
H80C H 0.791272 -0.198304 0.236870 0.062 Uiso 1 1 calc R U . . .
C81 C 0.6849(4) -0.1235(4) 0.5124(3) 0.0417(12) Uani 1 1 d . U . . .
H81A H 0.737136 -0.173910 0.522865 0.063 Uiso 1 1 calc R U . . .
H81B H 0.624163 -0.128945 0.539321 0.063 Uiso 1 1 calc R U . . .
H81C H 0.707924 -0.071949 0.524639 0.063 Uiso 1 1 calc R U . . .
C82 C 0.4809(4) 0.0247(4) 0.3107(3) 0.0404(12) Uani 1 1 d . U . . .
H82A H 0.459953 0.066060 0.346172 0.061 Uiso 1 1 calc R U . . .
H82B H 0.424140 -0.000900 0.298877 0.061 Uiso 1 1 calc R U . . .
H82C H 0.504346 0.053866 0.268999 0.061 Uiso 1 1 calc R U . . .
N1 N -0.1116(3) 0.2753(2) 0.3117(2) 0.0281(8) Uani 1 1 d . U . . .
N2 N -0.0328(3) 0.3704(2) 0.26798(19) 0.0240(7) Uani 1 1 d . U . . .
N3 N 0.1406(3) 0.1037(2) 0.08420(19) 0.0245(7) Uani 1 1 d . U . . .
N4 N 0.0126(3) 0.0483(2) 0.10965(18) 0.0241(7) Uani 1 1 d . U . . .
N5 N 0.5465(3) -0.1286(2) 0.12360(19) 0.0249(7) Uani 1 1 d . U . . .
N6 N 0.5968(3) -0.0978(2) 0.22183(19) 0.0258(8) Uani 1 1 d . U . . .
N7 N 0.3827(3) -0.3441(2) 0.3538(2) 0.0269(8) Uani 1 1 d . U . . .
N8 N 0.3269(3) -0.3543(2) 0.2528(2) 0.0302(8) Uani 1 1 d . U . . .
O1 O -0.1418(2) 0.1460(2) 0.03843(17) 0.0291(7) Uani 1 1 d . U . . .
O2 O -0.2553(2) 0.0801(2) 0.09394(16) 0.0284(7) Uani 1 1 d . U . . .
O3 O 0.3937(2) -0.0407(2) 0.03725(17) 0.0291(7) Uani 1 1 d . U . . .
O4 O 0.3917(2) -0.1587(2) -0.01961(17) 0.0298(7) Uani 1 1 d . U . . .
Br1 Br -0.16149(9) 0.46672(9) 0.49872(7) 0.0649(3) Uani 0.73 1 d . U P . .
Br1A Br -0.1332(3) 0.4934(3) 0.4880(2) 0.0649(3) Uani 0.27 1 d . U P . .
Au1 Au 0.00223(2) 0.20873(2) 0.18574(2) 0.02163(5) Uani 1 1 d . U . . .
Au2 Au 0.47060(2) -0.23405(2) 0.24200(2) 0.02429(5) Uani 1 1 d . 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
C1 N2 1.355(6) . ?
C1 N1 1.365(5) . ?
C1 Au1 1.995(4) . ?
C2 C3 1.349(7) . ?
C2 N1 1.380(6) . ?
C2 H2 0.9500 . ?
C3 N2 1.379(5) . ?
C3 H3 0.9500 . ?
C4 C9 1.398(7) . ?
C4 C5 1.404(7) . ?
C4 N1 1.448(6) . ?
C5 C6 1.390(7) . ?
C5 C10A 1.530(9) . ?
C5 C10 1.530(9) . ?
C6 C7 1.382(8) . ?
C6 H6 0.9500 . ?
C7 C8 1.380(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.388(7) . ?
C8 H8 0.9500 . ?
C9 C13 1.518(7) . ?
C10 C11 1.46(3) . ?
C10 C12 1.46(3) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C10A C11A 1.55(3) . ?
C10A C12A 1.63(7) . ?
C10A H10A 1.0000 . ?
C11A H11D 0.9800 . ?
C11A H11E 0.9800 . ?
C11A H11F 0.9800 . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C13 C15 1.529(7) . ?
C13 C14 1.535(7) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.385(6) . ?
C16 C17 1.408(6) . ?
C16 N2 1.452(5) . ?
C17 C18 1.393(6) . ?
C17 C22 1.506(6) . ?
C18 C19 1.378(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.388(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.395(6) . ?
C20 H20 0.9500 . ?
C21 C25 1.524(6) . ?
C22 C23 1.532(7) . ?
C22 C24 1.538(7) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C27 1.514(7) . ?
C25 C26 1.533(7) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 N4 1.342(6) . ?
C28 N3 1.347(5) . ?
C28 Au1 2.008(4) . ?
C29 C30 1.346(7) . ?
C29 N3 1.399(6) . ?
C29 H29 0.9500 . ?
C30 N4 1.377(6) . ?
C30 H30 0.9500 . ?
C31 N4 1.461(5) . ?
C31 C32 1.527(6) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 O1 1.223(5) . ?
C32 O2 1.285(5) . ?
C33 C38 1.391(7) . ?
C33 C34 1.399(7) . ?
C33 N3 1.441(6) . ?
C34 C35 1.396(7) . ?
C34 C39 1.493(8) . ?
C35 C36 1.379(9) . ?
C35 H35 0.9500 . ?
C36 C37 1.399(9) . ?
C36 C40 1.506(8) . ?
C37 C38 1.390(8) . ?
C37 H37 0.9500 . ?
C38 C41 1.500(8) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 N7 1.346(6) . ?
C42 N8 1.346(6) . ?
C42 Au2 2.012(4) . ?
C43 C44 1.349(7) . ?
C43 N7 1.394(6) . ?
C43 H43 0.9500 . ?
C44 N8 1.384(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.389(6) . ?
C45 C50 1.398(6) . ?
C45 N7 1.449(6) . ?
C46 C47 1.391(7) . ?
C46 C51 1.526(7) . ?
C47 C48 1.381(7) . ?
C47 H47 0.9500 . ?
C48 C49 1.385(7) . ?
C48 H48 0.9500 . ?
C49 C50 1.397(7) . ?
C49 H49 0.9500 . ?
C50 C54 1.511(7) . ?
C51 C53 1.518(7) . ?
C51 C52 1.530(7) . ?
C51 H51 1.0000 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C55A 1.539(8) . ?
C54 C55 1.552(8) . ?
C54 C56 1.553(8) . ?
C54 C56A 1.557(8) . ?
C54 H54 1.0000 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C55A H55D 0.9800 . ?
C55A H55E 0.9800 . ?
C55A H55F 0.9800 . ?
C56A H56D 0.9800 . ?
C56A H56E 0.9800 . ?
C56A H56F 0.9800 . ?
C57 N8 1.382(10) . ?
C57 C58 1.399(11) . ?
C57 C62 1.407(11) . ?
C58 C59 1.400(9) . ?
C58 C63 1.543(12) . ?
C59 C60 1.391(13) . ?
C59 H59 0.9500 . ?
C60 C61 1.367(13) . ?
C60 H60 0.9500 . ?
C61 C62 1.418(12) . ?
C61 H61 0.9500 . ?
C62 C66 1.501(13) . ?
C63 C65 1.472(11) . ?
C63 C64 1.533(11) . ?
C63 H63 1.0000 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 C67 1.524(11) . ?
C66 C68 1.573(10) . ?
C66 H66 1.0000 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C57A C58A 1.394(12) . ?
C57A C62A 1.407(11) . ?
C57A N8 1.549(11) . ?
C58A C59A 1.397(10) . ?
C58A C63A 1.542(12) . ?
C59A C60A 1.393(13) . ?
C59A H59A 0.9500 . ?
C60A C61A 1.370(14) . ?
C60A H60A 0.9500 . ?
C61A C62A 1.425(12) . ?
C61A H61A 0.9500 . ?
C62A C66A 1.501(14) . ?
C63A C65A 1.468(12) . ?
C63A C64A 1.536(11) . ?
C63A H63A 1.0000 . ?
C64A H64D 0.9800 . ?
C64A H64E 0.9800 . ?
C64A H64F 0.9800 . ?
C65A H65D 0.9800 . ?
C65A H65E 0.9800 . ?
C65A H65F 0.9800 . ?
C66A C67A 1.522(11) . ?
C66A C68A 1.569(10) . ?
C66A H66A 1.0000 . ?
C67A H67D 0.9800 . ?
C67A H67E 0.9800 . ?
C67A H67F 0.9800 . ?
C68A H68D 0.9800 . ?
C68A H68E 0.9800 . ?
C68A H68F 0.9800 . ?
C69 N5 1.343(6) . ?
C69 N6 1.359(6) . ?
C69 Au2 2.010(4) . ?
C70 C71 1.341(7) . ?
C70 N5 1.378(6) . ?
C70 H70 0.9500 . ?
C71 N6 1.384(6) . ?
C71 H71 0.9500 . ?
C72 N5 1.462(6) . ?
C72 C73 1.533(6) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 O3 1.211(5) . ?
C73 O4 1.292(5) . ?
C74 C75 1.398(6) . ?
C74 C79 1.400(7) . ?
C74 N6 1.436(5) . ?
C75 C76 1.407(7) . ?
C75 C80 1.504(7) . ?
C76 C77 1.375(7) . ?
C76 H76 0.9500 . ?
C77 C78 1.393(7) . ?
C77 C81 1.514(7) . ?
C78 C79 1.391(6) . ?
C78 H78 0.9500 . ?
C79 C82 1.502(7) . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
Br1 Br1A 0.648(4) . ?

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
N2 C1 N1 103.9(4) . . ?
N2 C1 Au1 131.5(3) . . ?
N1 C1 Au1 124.4(3) . . ?
C3 C2 N1 107.0(4) . . ?
C3 C2 H2 126.5 . . ?
N1 C2 H2 126.5 . . ?
C2 C3 N2 106.4(4) . . ?
C2 C3 H3 126.8 . . ?
N2 C3 H3 126.8 . . ?
C9 C4 C5 123.1(4) . . ?
C9 C4 N1 119.0(4) . . ?
C5 C4 N1 117.9(4) . . ?
C6 C5 C4 117.1(5) . . ?
C6 C5 C10A 119(4) . . ?
C4 C5 C10A 124(4) . . ?
C6 C5 C10 121(3) . . ?
C4 C5 C10 122(3) . . ?
C7 C6 C5 121.1(5) . . ?
C7 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C8 C7 C6 120.1(5) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C8 C9 121.7(5) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C8 C9 C4 116.9(5) . . ?
C8 C9 C13 121.0(5) . . ?
C4 C9 C13 122.1(4) . . ?
C11 C10 C12 117(4) . . ?
C11 C10 C5 113(3) . . ?
C12 C10 C5 113(2) . . ?
C11 C10 H10 104.1 . . ?
C12 C10 H10 104.0 . . ?
C5 C10 H10 104.0 . . ?
C10 C11 H11A 109.4 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.6 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.4 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C5 C10A C11A 111(3) . . ?
C5 C10A C12A 108(4) . . ?
C11A C10A C12A 103(5) . . ?
C5 C10A H10A 111.4 . . ?
C11A C10A H10A 111.3 . . ?
C12A C10A H10A 111.4 . . ?
C10A C11A H11D 109.3 . . ?
C10A C11A H11E 109.5 . . ?
H11D C11A H11E 109.5 . . ?
C10A C11A H11F 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
C10A C12A H12D 109.5 . . ?
C10A C12A H12E 109.4 . . ?
H12D C12A H12E 109.5 . . ?
C10A C12A H12F 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
C9 C13 C15 112.2(4) . . ?
C9 C13 C14 110.4(4) . . ?
C15 C13 C14 110.7(5) . . ?
C9 C13 H13 107.8 . . ?
C15 C13 H13 107.8 . . ?
C14 C13 H13 107.8 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 123.6(4) . . ?
C21 C16 N2 118.0(4) . . ?
C17 C16 N2 118.5(4) . . ?
C18 C17 C16 116.7(4) . . ?
C18 C17 C22 120.6(4) . . ?
C16 C17 C22 122.6(4) . . ?
C19 C18 C17 121.1(4) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C20 120.6(4) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C19 C20 C21 120.6(4) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C20 117.3(4) . . ?
C16 C21 C25 122.7(4) . . ?
C20 C21 C25 119.9(4) . . ?
C17 C22 C23 111.4(4) . . ?
C17 C22 C24 110.7(4) . . ?
C23 C22 C24 111.0(4) . . ?
C17 C22 H22 107.9 . . ?
C23 C22 H22 107.9 . . ?
C24 C22 H22 107.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C27 C25 C21 111.0(4) . . ?
C27 C25 C26 110.8(5) . . ?
C21 C25 C26 110.8(4) . . ?
C27 C25 H25 108.0 . . ?
C21 C25 H25 108.0 . . ?
C26 C25 H25 108.0 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N4 C28 N3 105.1(4) . . ?
N4 C28 Au1 126.6(3) . . ?
N3 C28 Au1 128.1(3) . . ?
C30 C29 N3 105.5(4) . . ?
C30 C29 H29 127.3 . . ?
N3 C29 H29 127.3 . . ?
C29 C30 N4 107.6(4) . . ?
C29 C30 H30 126.2 . . ?
N4 C30 H30 126.2 . . ?
N4 C31 C32 111.9(3) . . ?
N4 C31 H31A 109.2 . . ?
C32 C31 H31A 109.2 . . ?
N4 C31 H31B 109.2 . . ?
C32 C31 H31B 109.2 . . ?
H31A C31 H31B 107.9 . . ?
O1 C32 O2 127.0(4) . . ?
O1 C32 C31 120.3(4) . . ?
O2 C32 C31 112.7(4) . . ?
C38 C33 C34 122.9(4) . . ?
C38 C33 N3 118.9(4) . . ?
C34 C33 N3 118.1(4) . . ?
C35 C34 C33 117.1(5) . . ?
C35 C34 C39 120.7(5) . . ?
C33 C34 C39 122.1(5) . . ?
C36 C35 C34 121.9(5) . . ?
C36 C35 H35 119.1 . . ?
C34 C35 H35 119.1 . . ?
C35 C36 C37 119.1(5) . . ?
C35 C36 C40 120.1(6) . . ?
C37 C36 C40 120.8(6) . . ?
C38 C37 C36 121.4(6) . . ?
C38 C37 H37 119.3 . . ?
C36 C37 H37 119.3 . . ?
C37 C38 C33 117.6(5) . . ?
C37 C38 C41 121.1(5) . . ?
C33 C38 C41 121.3(5) . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C36 C40 H40A 109.5 . . ?
C36 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C36 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
N7 C42 N8 105.1(4) . . ?
N7 C42 Au2 130.2(3) . . ?
N8 C42 Au2 124.6(3) . . ?
C44 C43 N7 106.0(4) . . ?
C44 C43 H43 127.0 . . ?
N7 C43 H43 127.0 . . ?
C43 C44 N8 106.9(4) . . ?
C43 C44 H44 126.5 . . ?
N8 C44 H44 126.5 . . ?
C46 C45 C50 124.1(4) . . ?
C46 C45 N7 118.0(4) . . ?
C50 C45 N7 117.9(4) . . ?
C45 C46 C47 117.4(4) . . ?
C45 C46 C51 122.6(4) . . ?
C47 C46 C51 120.0(4) . . ?
C48 C47 C46 120.4(5) . . ?
C48 C47 H47 119.8 . . ?
C46 C47 H47 119.8 . . ?
C47 C48 C49 120.9(5) . . ?
C47 C48 H48 119.6 . . ?
C49 C48 H48 119.6 . . ?
C48 C49 C50 121.0(5) . . ?
C48 C49 H49 119.5 . . ?
C50 C49 H49 119.5 . . ?
C49 C50 C45 116.2(4) . . ?
C49 C50 C54 121.2(4) . . ?
C45 C50 C54 122.5(4) . . ?
C53 C51 C46 112.4(4) . . ?
C53 C51 C52 111.3(5) . . ?
C46 C51 C52 110.2(4) . . ?
C53 C51 H51 107.6 . . ?
C46 C51 H51 107.6 . . ?
C52 C51 H51 107.6 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C50 C54 C55A 116.0(8) . . ?
C50 C54 C55 106.8(6) . . ?
C50 C54 C56 111.3(6) . . ?
C55 C54 C56 108.5(7) . . ?
C50 C54 C56A 108.0(5) . . ?
C55A C54 C56A 109.1(8) . . ?
C50 C54 H54 108.5 . . ?
C55A C54 H54 125.5 . . ?
C55 C54 H54 104.5 . . ?
C56 C54 H54 116.6 . . ?
C56A C54 H54 84.0 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C55A H55D 109.5 . . ?
C54 C55A H55E 109.5 . . ?
H55D C55A H55E 109.5 . . ?
C54 C55A H55F 109.5 . . ?
H55D C55A H55F 109.5 . . ?
H55E C55A H55F 109.5 . . ?
C54 C56A H56D 109.5 . . ?
C54 C56A H56E 109.5 . . ?
H56D C56A H56E 109.5 . . ?
C54 C56A H56F 109.5 . . ?
H56D C56A H56F 109.5 . . ?
H56E C56A H56F 109.5 . . ?
N8 C57 C58 114.1(7) . . ?
N8 C57 C62 121.5(9) . . ?
C58 C57 C62 124.4(8) . . ?
C57 C58 C59 117.2(9) . . ?
C57 C58 C63 121.9(7) . . ?
C59 C58 C63 120.9(9) . . ?
C60 C59 C58 120.2(10) . . ?
C60 C59 H59 119.9 . . ?
C58 C59 H59 119.9 . . ?
C61 C60 C59 121.1(8) . . ?
C61 C60 H60 119.4 . . ?
C59 C60 H60 119.4 . . ?
C60 C61 C62 121.9(9) . . ?
C60 C61 H61 119.1 . . ?
C62 C61 H61 119.1 . . ?
C57 C62 C61 115.2(10) . . ?
C57 C62 C66 122.6(8) . . ?
C61 C62 C66 122.2(9) . . ?
C65 C63 C64 110.6(9) . . ?
C65 C63 C58 114.9(8) . . ?
C64 C63 C58 113.6(8) . . ?
C65 C63 H63 105.6 . . ?
C64 C63 H63 105.6 . . ?
C58 C63 H63 105.6 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C62 C66 C67 113.8(9) . . ?
C62 C66 C68 106.3(8) . . ?
C67 C66 C68 108.4(7) . . ?
C62 C66 H66 109.4 . . ?
C67 C66 H66 109.4 . . ?
C68 C66 H66 109.4 . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C66 C68 H68A 109.5 . . ?
C66 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C66 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C58A C57A C62A 125.2(9) . . ?
C58A C57A N8 121.5(7) . . ?
C62A C57A N8 113.1(8) . . ?
C57A C58A C59A 116.1(9) . . ?
C57A C58A C63A 122.7(7) . . ?
C59A C58A C63A 121.2(9) . . ?
C60A C59A C58A 120.9(10) . . ?
C60A C59A H59A 119.6 . . ?
C58A C59A H59A 119.6 . . ?
C61A C60A C59A 121.9(9) . . ?
C61A C60A H60A 119.1 . . ?
C59A C60A H60A 119.1 . . ?
C60A C61A C62A 120.2(9) . . ?
C60A C61A H61A 119.9 . . ?
C62A C61A H61A 119.9 . . ?
C57A C62A C61A 115.8(10) . . ?
C57A C62A C66A 122.8(8) . . ?
C61A C62A C66A 121.4(9) . . ?
C65A C63A C64A 111.5(10) . . ?
C65A C63A C58A 115.5(8) . . ?
C64A C63A C58A 112.5(9) . . ?
C65A C63A H63A 105.5 . . ?
C64A C63A H63A 105.5 . . ?
C58A C63A H63A 105.5 . . ?
C63A C64A H64D 109.5 . . ?
C63A C64A H64E 109.5 . . ?
H64D C64A H64E 109.5 . . ?
C63A C64A H64F 109.5 . . ?
H64D C64A H64F 109.5 . . ?
H64E C64A H64F 109.5 . . ?
C63A C65A H65D 109.5 . . ?
C63A C65A H65E 109.5 . . ?
H65D C65A H65E 109.5 . . ?
C63A C65A H65F 109.5 . . ?
H65D C65A H65F 109.5 . . ?
H65E C65A H65F 109.5 . . ?
C62A C66A C67A 113.4(10) . . ?
C62A C66A C68A 106.0(8) . . ?
C67A C66A C68A 109.4(8) . . ?
C62A C66A H66A 109.3 . . ?
C67A C66A H66A 109.3 . . ?
C68A C66A H66A 109.3 . . ?
C66A C67A H67D 109.5 . . ?
C66A C67A H67E 109.5 . . ?
H67D C67A H67E 109.5 . . ?
C66A C67A H67F 109.5 . . ?
H67D C67A H67F 109.5 . . ?
H67E C67A H67F 109.5 . . ?
C66A C68A H68D 109.5 . . ?
C66A C68A H68E 109.5 . . ?
H68D C68A H68E 109.5 . . ?
C66A C68A H68F 109.5 . . ?
H68D C68A H68F 109.5 . . ?
H68E C68A H68F 109.5 . . ?
N5 C69 N6 105.4(4) . . ?
N5 C69 Au2 128.0(3) . . ?
N6 C69 Au2 126.5(3) . . ?
C71 C70 N5 107.0(4) . . ?
C71 C70 H70 126.5 . . ?
N5 C70 H70 126.5 . . ?
C70 C71 N6 107.1(4) . . ?
C70 C71 H71 126.5 . . ?
N6 C71 H71 126.5 . . ?
N5 C72 C73 114.7(4) . . ?
N5 C72 H72A 108.6 . . ?
C73 C72 H72A 108.6 . . ?
N5 C72 H72B 108.6 . . ?
C73 C72 H72B 108.6 . . ?
H72A C72 H72B 107.6 . . ?
O3 C73 O4 127.3(4) . . ?
O3 C73 C72 122.0(4) . . ?
O4 C73 C72 110.8(4) . . ?
C75 C74 C79 121.9(4) . . ?
C75 C74 N6 118.6(4) . . ?
C79 C74 N6 119.5(4) . . ?
C74 C75 C76 117.4(4) . . ?
C74 C75 C80 121.2(4) . . ?
C76 C75 C80 121.4(4) . . ?
C77 C76 C75 122.3(4) . . ?
C77 C76 H76 118.8 . . ?
C75 C76 H76 118.8 . . ?
C76 C77 C78 118.4(4) . . ?
C76 C77 C81 121.3(5) . . ?
C78 C77 C81 120.3(5) . . ?
C79 C78 C77 122.0(5) . . ?
C79 C78 H78 119.0 . . ?
C77 C78 H78 119.0 . . ?
C78 C79 C74 117.9(4) . . ?
C78 C79 C82 120.8(4) . . ?
C74 C79 C82 121.3(4) . . ?
C75 C80 H80A 109.5 . . ?
C75 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C75 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C77 C81 H81A 109.5 . . ?
C77 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C77 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C79 C82 H82A 109.5 . . ?
C79 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C79 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C1 N1 C2 110.9(4) . . ?
C1 N1 C4 121.5(4) . . ?
C2 N1 C4 127.2(4) . . ?
C1 N2 C3 111.7(4) . . ?
C1 N2 C16 122.9(4) . . ?
C3 N2 C16 125.3(4) . . ?
C28 N3 C29 111.0(4) . . ?
C28 N3 C33 124.7(4) . . ?
C29 N3 C33 124.3(4) . . ?
C28 N4 C30 110.9(4) . . ?
C28 N4 C31 123.7(4) . . ?
C30 N4 C31 124.4(4) . . ?
C69 N5 C70 110.7(4) . . ?
C69 N5 C72 124.5(4) . . ?
C70 N5 C72 124.6(4) . . ?
C69 N6 C71 109.9(4) . . ?
C69 N6 C74 123.6(4) . . ?
C71 N6 C74 126.3(4) . . ?
C42 N7 C43 111.0(4) . . ?
C42 N7 C45 124.6(4) . . ?
C43 N7 C45 124.1(4) . . ?
C42 N8 C57 124.6(4) . . ?
C42 N8 C44 110.9(4) . . ?
C57 N8 C44 124.2(5) . . ?
C42 N8 C57A 120.3(4) . . ?
C44 N8 C57A 127.6(4) . . ?
C1 Au1 C28 174.23(16) . . ?
C69 Au2 C42 175.92(17) . . ?

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 C2 C3 N2 -0.2(5) . . . . ?
C9 C4 C5 C6 1.6(8) . . . . ?
N1 C4 C5 C6 -176.9(5) . . . . ?
C9 C4 C5 C10A -179.2(15) . . . . ?
N1 C4 C5 C10A 2.2(16) . . . . ?
C9 C4 C5 C10 -176.3(14) . . . . ?
N1 C4 C5 C10 5.1(15) . . . . ?
C4 C5 C6 C7 0.1(8) . . . . ?
C10A C5 C6 C7 -179.2(15) . . . . ?
C10 C5 C6 C7 178.0(13) . . . . ?
C5 C6 C7 C8 -1.3(10) . . . . ?
C6 C7 C8 C9 0.8(10) . . . . ?
C7 C8 C9 C4 0.8(9) . . . . ?
C7 C8 C9 C13 179.0(5) . . . . ?
C5 C4 C9 C8 -2.0(8) . . . . ?
N1 C4 C9 C8 176.5(5) . . . . ?
C5 C4 C9 C13 179.8(5) . . . . ?
N1 C4 C9 C13 -1.7(7) . . . . ?
C6 C5 C10 C11 55(6) . . . . ?
C4 C5 C10 C11 -127(4) . . . . ?
C6 C5 C10 C12 -80(5) . . . . ?
C4 C5 C10 C12 97(6) . . . . ?
C6 C5 C10A C11A 58(6) . . . . ?
C4 C5 C10A C11A -121(5) . . . . ?
C6 C5 C10A C12A -55(3) . . . . ?
C4 C5 C10A C12A 126(4) . . . . ?
C8 C9 C13 C15 36.7(7) . . . . ?
C4 C9 C13 C15 -145.2(5) . . . . ?
C8 C9 C13 C14 -87.3(6) . . . . ?
C4 C9 C13 C14 90.9(6) . . . . ?
C21 C16 C17 C18 -1.7(7) . . . . ?
N2 C16 C17 C18 179.9(4) . . . . ?
C21 C16 C17 C22 -179.8(4) . . . . ?
N2 C16 C17 C22 1.7(6) . . . . ?
C16 C17 C18 C19 2.3(7) . . . . ?
C22 C17 C18 C19 -179.6(4) . . . . ?
C17 C18 C19 C20 -1.3(7) . . . . ?
C18 C19 C20 C21 -0.3(7) . . . . ?
C17 C16 C21 C20 0.2(7) . . . . ?
N2 C16 C21 C20 178.7(4) . . . . ?
C17 C16 C21 C25 179.1(4) . . . . ?
N2 C16 C21 C25 -2.5(6) . . . . ?
C19 C20 C21 C16 0.8(7) . . . . ?
C19 C20 C21 C25 -178.1(4) . . . . ?
C18 C17 C22 C23 56.0(6) . . . . ?
C16 C17 C22 C23 -126.0(5) . . . . ?
C18 C17 C22 C24 -68.1(6) . . . . ?
C16 C17 C22 C24 110.0(5) . . . . ?
C16 C21 C25 C27 113.8(5) . . . . ?
C20 C21 C25 C27 -67.4(6) . . . . ?
C16 C21 C25 C26 -122.7(5) . . . . ?
C20 C21 C25 C26 56.1(6) . . . . ?
N3 C29 C30 N4 -0.6(5) . . . . ?
N4 C31 C32 O1 -10.0(6) . . . . ?
N4 C31 C32 O2 169.9(4) . . . . ?
C38 C33 C34 C35 -1.5(7) . . . . ?
N3 C33 C34 C35 178.0(4) . . . . ?
C38 C33 C34 C39 176.0(5) . . . . ?
N3 C33 C34 C39 -4.4(7) . . . . ?
C33 C34 C35 C36 2.5(7) . . . . ?
C39 C34 C35 C36 -175.1(5) . . . . ?
C34 C35 C36 C37 -2.4(7) . . . . ?
C34 C35 C36 C40 179.2(5) . . . . ?
C35 C36 C37 C38 1.2(8) . . . . ?
C40 C36 C37 C38 179.6(5) . . . . ?
C36 C37 C38 C33 -0.2(8) . . . . ?
C36 C37 C38 C41 -179.3(5) . . . . ?
C34 C33 C38 C37 0.4(7) . . . . ?
N3 C33 C38 C37 -179.2(4) . . . . ?
C34 C33 C38 C41 179.4(5) . . . . ?
N3 C33 C38 C41 -0.1(7) . . . . ?
N7 C43 C44 N8 0.1(5) . . . . ?
C50 C45 C46 C47 1.0(7) . . . . ?
N7 C45 C46 C47 -179.2(4) . . . . ?
C50 C45 C46 C51 -179.6(4) . . . . ?
N7 C45 C46 C51 0.2(6) . . . . ?
C45 C46 C47 C48 0.2(7) . . . . ?
C51 C46 C47 C48 -179.3(5) . . . . ?
C46 C47 C48 C49 -1.4(8) . . . . ?
C47 C48 C49 C50 1.4(8) . . . . ?
C48 C49 C50 C45 -0.3(7) . . . . ?
C48 C49 C50 C54 -179.2(5) . . . . ?
C46 C45 C50 C49 -1.0(7) . . . . ?
N7 C45 C50 C49 179.3(4) . . . . ?
C46 C45 C50 C54 178.0(4) . . . . ?
N7 C45 C50 C54 -1.8(6) . . . . ?
C45 C46 C51 C53 -122.3(5) . . . . ?
C47 C46 C51 C53 57.1(6) . . . . ?
C45 C46 C51 C52 112.9(5) . . . . ?
C47 C46 C51 C52 -67.6(6) . . . . ?
C49 C50 C54 C55A -44.4(10) . . . . ?
C45 C50 C54 C55A 136.7(9) . . . . ?
C49 C50 C54 C55 -80.0(7) . . . . ?
C45 C50 C54 C55 101.1(7) . . . . ?
C49 C50 C54 C56 38.3(8) . . . . ?
C45 C50 C54 C56 -140.6(7) . . . . ?
C49 C50 C54 C56A 78.3(8) . . . . ?
C45 C50 C54 C56A -100.6(8) . . . . ?
N8 C57 C58 C59 178.1(5) . . . . ?
C62 C57 C58 C59 0.2(3) . . . . ?
N8 C57 C58 C63 -2.6(5) . . . . ?
C62 C57 C58 C63 179.5(4) . . . . ?
C57 C58 C59 C60 0.1(3) . . . . ?
C63 C58 C59 C60 -179.2(4) . . . . ?
C58 C59 C60 C61 -0.2(6) . . . . ?
C59 C60 C61 C62 0.0(8) . . . . ?
N8 C57 C62 C61 -178.2(6) . . . . ?
C58 C57 C62 C61 -0.4(5) . . . . ?
N8 C57 C62 C66 2.9(8) . . . . ?
C58 C57 C62 C66 -179.3(3) . . . . ?
C60 C61 C62 C57 0.3(7) . . . . ?
C60 C61 C62 C66 179.2(5) . . . . ?
C57 C58 C63 C65 70.2(11) . . . . ?
C59 C58 C63 C65 -110.5(11) . . . . ?
C57 C58 C63 C64 -161.1(8) . . . . ?
C59 C58 C63 C64 18.2(8) . . . . ?
C57 C62 C66 C67 -153.5(8) . . . . ?
C61 C62 C66 C67 27.6(9) . . . . ?
C57 C62 C66 C68 87.3(8) . . . . ?
C61 C62 C66 C68 -91.6(8) . . . . ?
C62A C57A C58A C59A 0.3(3) . . . . ?
N8 C57A C58A C59A 175.4(6) . . . . ?
C62A C57A C58A C63A 179.6(4) . . . . ?
N8 C57A C58A C63A -5.3(6) . . . . ?
C57A C58A C59A C60A 0.2(3) . . . . ?
C63A C58A C59A C60A -179.2(4) . . . . ?
C58A C59A C60A C61A -0.1(6) . . . . ?
C59A C60A C61A C62A -0.4(8) . . . . ?
C58A C57A C62A C61A -0.7(5) . . . . ?
N8 C57A C62A C61A -176.2(6) . . . . ?
C58A C57A C62A C66A -179.3(3) . . . . ?
N8 C57A C62A C66A 5.2(7) . . . . ?
C60A C61A C62A C57A 0.8(7) . . . . ?
C60A C61A C62A C66A 179.4(5) . . . . ?
C57A C58A C63A C65A 71.1(12) . . . . ?
C59A C58A C63A C65A -109.6(12) . . . . ?
C57A C58A C63A C64A -159.4(8) . . . . ?
C59A C58A C63A C64A 19.9(9) . . . . ?
C57A C62A C66A C67A -151.0(8) . . . . ?
C61A C62A C66A C67A 30.5(10) . . . . ?
C57A C62A C66A C68A 89.0(9) . . . . ?
C61A C62A C66A C68A -89.5(9) . . . . ?
N5 C70 C71 N6 0.0(5) . . . . ?
N5 C72 C73 O3 -1.1(6) . . . . ?
N5 C72 C73 O4 178.2(4) . . . . ?
C79 C74 C75 C76 1.7(7) . . . . ?
N6 C74 C75 C76 -179.3(4) . . . . ?
C79 C74 C75 C80 -177.2(4) . . . . ?
N6 C74 C75 C80 1.8(7) . . . . ?
C74 C75 C76 C77 -1.4(7) . . . . ?
C80 C75 C76 C77 177.5(5) . . . . ?
C75 C76 C77 C78 0.9(7) . . . . ?
C75 C76 C77 C81 -179.5(5) . . . . ?
C76 C77 C78 C79 -0.7(7) . . . . ?
C81 C77 C78 C79 179.7(5) . . . . ?
C77 C78 C79 C74 1.1(7) . . . . ?
C77 C78 C79 C82 178.7(5) . . . . ?
C75 C74 C79 C78 -1.6(7) . . . . ?
N6 C74 C79 C78 179.4(4) . . . . ?
C75 C74 C79 C82 -179.2(4) . . . . ?
N6 C74 C79 C82 1.8(7) . . . . ?
N2 C1 N1 C2 -1.1(5) . . . . ?
Au1 C1 N1 C2 175.0(3) . . . . ?
N2 C1 N1 C4 -174.8(4) . . . . ?
Au1 C1 N1 C4 1.3(6) . . . . ?
C3 C2 N1 C1 0.9(6) . . . . ?
C3 C2 N1 C4 174.1(4) . . . . ?
C9 C4 N1 C1 -100.3(5) . . . . ?
C5 C4 N1 C1 78.3(6) . . . . ?
C9 C4 N1 C2 87.1(6) . . . . ?
C5 C4 N1 C2 -94.3(6) . . . . ?
N1 C1 N2 C3 1.0(5) . . . . ?
Au1 C1 N2 C3 -174.7(4) . . . . ?
N1 C1 N2 C16 176.4(4) . . . . ?
Au1 C1 N2 C16 0.7(7) . . . . ?
C2 C3 N2 C1 -0.5(5) . . . . ?
C2 C3 N2 C16 -175.8(4) . . . . ?
C21 C16 N2 C1 -86.3(5) . . . . ?
C17 C16 N2 C1 92.2(5) . . . . ?
C21 C16 N2 C3 88.5(5) . . . . ?
C17 C16 N2 C3 -93.0(5) . . . . ?
N4 C28 N3 C29 0.8(5) . . . . ?
Au1 C28 N3 C29 176.1(3) . . . . ?
N4 C28 N3 C33 179.6(4) . . . . ?
Au1 C28 N3 C33 -5.1(6) . . . . ?
C30 C29 N3 C28 -0.1(5) . . . . ?
C30 C29 N3 C33 -179.0(4) . . . . ?
C38 C33 N3 C28 -76.5(6) . . . . ?
C34 C33 N3 C28 104.0(5) . . . . ?
C38 C33 N3 C29 102.2(5) . . . . ?
C34 C33 N3 C29 -77.3(6) . . . . ?
N3 C28 N4 C30 -1.2(5) . . . . ?
Au1 C28 N4 C30 -176.6(3) . . . . ?
N3 C28 N4 C31 -170.3(4) . . . . ?
Au1 C28 N4 C31 14.3(6) . . . . ?
C29 C30 N4 C28 1.2(5) . . . . ?
C29 C30 N4 C31 170.2(4) . . . . ?
C32 C31 N4 C28 77.4(5) . . . . ?
C32 C31 N4 C30 -90.2(5) . . . . ?
N6 C69 N5 C70 0.3(5) . . . . ?
Au2 C69 N5 C70 178.9(3) . . . . ?
N6 C69 N5 C72 175.0(4) . . . . ?
Au2 C69 N5 C72 -6.4(6) . . . . ?
C71 C70 N5 C69 -0.2(5) . . . . ?
C71 C70 N5 C72 -174.8(4) . . . . ?
C73 C72 N5 C69 118.9(5) . . . . ?
C73 C72 N5 C70 -67.2(6) . . . . ?
N5 C69 N6 C71 -0.4(5) . . . . ?
Au2 C69 N6 C71 -179.0(3) . . . . ?
N5 C69 N6 C74 -174.7(4) . . . . ?
Au2 C69 N6 C74 6.7(6) . . . . ?
C70 C71 N6 C69 0.3(5) . . . . ?
C70 C71 N6 C74 174.4(4) . . . . ?
C75 C74 N6 C69 78.8(6) . . . . ?
C79 C74 N6 C69 -102.2(5) . . . . ?
C75 C74 N6 C71 -94.6(6) . . . . ?
C79 C74 N6 C71 84.4(6) . . . . ?
N8 C42 N7 C43 -1.0(5) . . . . ?
Au2 C42 N7 C43 175.1(3) . . . . ?
N8 C42 N7 C45 173.3(4) . . . . ?
Au2 C42 N7 C45 -10.6(7) . . . . ?
C44 C43 N7 C42 0.6(5) . . . . ?
C44 C43 N7 C45 -173.8(4) . . . . ?
C46 C45 N7 C42 -83.8(6) . . . . ?
C50 C45 N7 C42 96.0(5) . . . . ?
C46 C45 N7 C43 89.8(5) . . . . ?
C50 C45 N7 C43 -90.4(5) . . . . ?
N7 C42 N8 C57 175.0(6) . . . . ?
Au2 C42 N8 C57 -1.3(8) . . . . ?
N7 C42 N8 C44 1.0(5) . . . . ?
Au2 C42 N8 C44 -175.3(3) . . . . ?
N7 C42 N8 C57A -167.5(5) . . . . ?
Au2 C42 N8 C57A 16.2(7) . . . . ?
C58 C57 N8 C42 78.0(6) . . . . ?
C62 C57 N8 C42 -104.0(6) . . . . ?
C58 C57 N8 C44 -108.7(5) . . . . ?
C62 C57 N8 C44 69.3(7) . . . . ?
C43 C44 N8 C42 -0.7(6) . . . . ?
C43 C44 N8 C57 -174.7(6) . . . . ?
C43 C44 N8 C57A 166.8(6) . . . . ?
C58A C57A N8 C42 73.4(5) . . . . ?
C62A C57A N8 C42 -110.9(5) . . . . ?
C58A C57A N8 C44 -93.0(6) . . . . ?
C62A C57A N8 C44 82.7(7) . . . . ?

_refine_diff_density_max         3.577
_refine_diff_density_min         -3.793
_refine_diff_density_rms         0.137




####################################################################### 
# 
# 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_Complex3
_database_code_depnum_ccdc_archive 'CCDC 2062338'
loop_
_audit_author_name
_audit_author_address
'Vincent Lynch'
;University of Texas at Austin
United States of America
;
_audit_update_record             
;
2021-02-10 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;

_audit_creation_date             2020-07-01
_audit_creation_method           
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         "C27 H36 N2, C16 H21 N3 O2, Au 1+, P F6 1-'"
_chemical_formula_sum            'C43 H57 Au F6 N5 O2 P'
_chemical_formula_weight         1017.87
_chemical_melting_point          ?
_chemical_oxdiff_formula         C43H57N5O2PF6Au
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.0894(3)
_cell_length_b                   18.0488(4)
_cell_length_c                   24.6597(5)
_cell_angle_alpha                101.6313(18)
_cell_angle_beta                 93.6495(19)
_cell_angle_gamma                101.640(2)
_cell_volume                     4706.79(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13606
_cell_measurement_temperature    100.04(11)
_cell_measurement_theta_max      73.3150
_cell_measurement_theta_min      2.7610
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.726
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50826
_exptl_absorpt_correction_type   'gaussian and multi-scan'
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.70a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.067
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_unetI/netI     0.0598
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            32664
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.445
_diffrn_reflns_theta_min         2.808
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.04(11)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2940
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -116.00 -17.00   0.50    5.50    --  -41.59 -38.00-120.00  198
  2  ω     34.00 133.00   0.50   20.50    --  107.09 -45.00  30.00  198
  3  ω    -66.00  33.00   0.50    5.50    --  -41.59  38.00  60.00  198
  4  ω    103.00 178.00   0.50   20.50    --  107.09  77.00-180.00  150
  5  ω    -74.00  35.00   0.50    5.50    --  -41.59  77.00 150.00  218
  6  ω     30.00 109.00   0.50   20.50    --  107.09-109.00-165.00  158
  7  ω      7.00  33.00   0.50    5.50    --   41.59  84.00-125.39   52
  8  ω     24.00 107.00   0.50   20.50    --  107.09 -94.00-150.00  166
  9  ω     34.00 133.00   0.50   20.50    --  107.09 -45.00-120.00  198
 10  ω    103.00 178.00   0.50   20.50    --  107.09  77.00 -30.00  150
 11  ω     24.00 107.00   0.50   20.50    --  107.09 -94.00 -90.00  166
 12  ω     24.00 107.00   0.50   20.50    --  107.09 -94.00  30.00  166
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1327516000
_diffrn_orient_matrix_UB_12      -0.0121261000
_diffrn_orient_matrix_UB_13      -0.0280675000
_diffrn_orient_matrix_UB_21      0.0512756000
_diffrn_orient_matrix_UB_22      0.0059063000
_diffrn_orient_matrix_UB_23      -0.0559695000
_diffrn_orient_matrix_UB_31      -0.0100233000
_diffrn_orient_matrix_UB_32      -0.0883135000
_diffrn_orient_matrix_UB_33      -0.0141553000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15115
_reflns_number_total             17996
_reflns_odcompleteness_completeness 90.76
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'CrysAlisPro 1.171.41.70a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.70a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.70a (Rigaku OD, 2020)'
_computing_molecular_graphics    'SHELXLTL-Plus/XP, Bruker AXS, Inc. 2009'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT n/a (Sheldrick, 2015)'
_refine_diff_density_max         1.953
_refine_diff_density_min         -1.452
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1208
_refine_ls_number_reflns         17996
_refine_ls_number_restraints     350
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0470
_refine_ls_restrained_S_all      1.055
_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)+(0.0748P)²+1.8220P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1219
_refine_ls_wR_factor_ref         0.1304
_refine_special_details          
;
A molecule of dichloromethane was disordered.  The contributions of that molecule to 
the calculated structure factors was removed by the use of SQUEEZE (Sluis and Spek, 2009).

A hexafluoro phosphate anion was disordered over two orientations.  The disorder was 
modeled using utilities available in OLEX2.  Also, the hydroxyethylamide portion of one 
Au complex was disordered.  The disorder was modeled as above.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 P3-F13 = P3-F14 = P3-F15 = P3-F16 = P3-F17 = P3-F18
 1.58 with sigma of 0.02
 F13-F15 = F13-F16 = F13-F17 = F13-F18 = F14-F15 = F14-F16 = F14-F17 = F14-F18
 2.42 with sigma of 0.02
 F15-F16 = F15-F18 = F16-F17 = F17-F18
 2.42 with sigma of 0.02
 F7-F9 = F7-F10 = F7-F11 = F7-F12 = F8-F9 = F8-F10 = F8-F11 = F8-F12
 2.42 with sigma of 0.02
 P2-F7 = P2-F8 = P2-F9 = P2-F10 = P2-F11 = P2-F12
 1.57 with sigma of 0.02
 F9-F10 = F9-F12 = F10-F11 = F11-F12
 2.42 with sigma of 0.02
 C84-N10
 1.4 with sigma of 0.02
 C84A-N10A
 1.4 with sigma of 0.02
 C84A-C83
 1.5 with sigma of 0.02
 C84A-O3A
 1.22 with sigma of 0.02
 C84-O3
 1.22 with sigma of 0.02
 N10-C85
 1.45 with sigma of 0.02
 N10A-C85A
 1.45 with sigma of 0.02
 C85-C86A
 1.45 with sigma of 0.02
 N10-C86A
 2.4 with sigma of 0.02
 C85-O4
 2.4 with sigma of 0.02
 C86-O4
 1.4 with sigma of 0.02
 C86A-O4A
 1.4 with sigma of 0.02
 C86-C85
 1.48 with sigma of 0.02
 C86A-C85A
 1.48 with sigma of 0.02
 C60-C65 \\sim C60-C65A
 with sigma of 0.02
 C65-C66 \\sim C65A-C66A
 with sigma of 0.02
 C65-C67 \\sim C65A-C67A
 with sigma of 0.02
 C60-C66 \\sim C60-C66A
 with sigma of 0.04
 C60-C67 \\sim C60-C67A
 with sigma of 0.04
 C66-C67 \\sim C66A-C67A
 with sigma of 0.04
3. Restrained planarity
 C83, O3, N10, C84
 with sigma of 0.02
 C83, O3A, N10A, C84A
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
F8 \\sim F15 \\sim F12 \\sim F10 \\sim F13 \\sim F17 \\sim F7 \\sim F9 \\sim
F11 \\sim F14 \\sim F16 \\sim F18: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
P2 \\sim P3: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
C66 \\sim C67A \\sim C67 \\sim C66A: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
Uanis(P2) \\sim Ueq, Uanis(P3) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F8) \\sim
Ueq, Uanis(F9) \\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F11) \\sim Ueq,
Uanis(F12) \\sim Ueq, Uanis(F13) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(F15)
\\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(F18) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C84) \\sim Ueq, Uanis(C84A) \\sim Ueq, Uanis(N10) \\sim Ueq, Uanis(O3A)
\\sim Ueq, Uanis(O3) \\sim Ueq, Uanis(N10A) \\sim Ueq, Uanis(C85A) \\sim Ueq,
Uanis(C86A) \\sim Ueq, Uanis(O4A) \\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(C86)
\\sim Ueq, Uanis(O4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms
of 0.02
Uanis(C65A) = Uanis(C65)
5. Rigid body (RIGU) restrains
 C84, C84A, N10, O3, O3A, C85, C86, O4, N10A, C85A, C86A, O4A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(F15)=Sof(F13)=Sof(F17)=Sof(P3)=Sof(F14)=Sof(F16)=Sof(F18)=1-FVAR(1)
 Sof(F8)=Sof(F12)=Sof(P2)=Sof(F10)=Sof(F7)=Sof(F9)=Sof(F11)=FVAR(1)
 Sof(H83C)=Sof(H83D)=Sof(O3A)=Sof(O4A)=Sof(H4A)=Sof(N10A)=Sof(H10A)=Sof(C84A)=
 Sof(C85A)=Sof(H85C)=Sof(H85D)=Sof(C86A)=Sof(H86C)=Sof(H86D)=1-FVAR(2)
 Sof(H83A)=Sof(H83B)=Sof(O3)=Sof(O4)=Sof(H4)=Sof(N10)=Sof(H10)=Sof(C84)=
 Sof(C85)=Sof(H85A)=Sof(H85B)=Sof(C86)=Sof(H86A)=Sof(H86B)=FVAR(2)
 Sof(C67A)=Sof(H67D)=Sof(H67E)=Sof(H67F)=Sof(C65A)=Sof(H65A)=Sof(C66A)=
 Sof(H66D)=Sof(H66E)=Sof(H66F)=1-FVAR(3)
 Sof(C65)=Sof(H65)=Sof(C66)=Sof(H66A)=Sof(H66B)=Sof(H66C)=Sof(C67)=Sof(H67A)=
 Sof(H67B)=Sof(H67C)=FVAR(3)
7.a Ternary CH refined with riding coordinates:
 C53(H53), C56(H56), C65(H65), C68(H68), C10(H10B), C13(H13), C22(H22),
 C25(H25), C65A(H65A)
7.b Secondary CH2 refined with riding coordinates:
 C83(H83A,H83B), C83(H83C,H83D), C85(H85A,H85B), C86(H86A,H86B), C85A(H85C,
 H85D), C86A(H86C,H86D), C40(H40A,H40B), C42(H42A,H42B), C43(H43A,H43B)
7.c Me refined with riding coordinates:
 C66(H66A,H66B,H66C), C67(H67A,H67B,H67C), C67A(H67D,H67E,H67F), C66A(H66D,
 H66E,H66F)
7.d Aromatic/amide H refined with riding coordinates:
 C45(H45), C46(H46), C49(H49), C50(H50), C51(H51), C61(H61), C62(H62),
 C63(H63), C72(H72), C73(H73), C76(H76), C78(H78), N10(H10), N10A(H10A), N5(H5),
  C2(H2A), C3(H3), C6(H6), C7(H7), C8(H8), C18(H18), C19(H19), C20(H20),
 C29(H29), C30(H30), C33(H33), C35(H35)
7.e Tetrahedral OH refined with riding coordinates:
 O4A(H4A)
7.f Idealised Me refined as rotating group:
 C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C57(H57A,H57B,H57C), C58(H58A,H58B,
 H58C), C69(H69A,H69B,H69C), C70(H70A,H70B,H70C), C80(H80A,H80B,H80C), C81(H81A,
 H81B,H81C), C82(H82A,H82B,H82C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C37(H37A,H37B,H37C), C38(H38A,
 H38B,H38C), C39(H39A,H39B,H39C)
7.g Idealised tetrahedral OH refined as rotating group:
 O4(H4), O2(H2)
;
_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 0.72025(2) 0.61433(2) 0.73075(2) 0.03203(7) Uani 1 1 d . . . . .
N6 N 0.5894(4) 0.6324(3) 0.83543(18) 0.0375(10) Uani 1 1 d . . . . .
N7 N 0.4599(4) 0.6108(3) 0.7623(2) 0.0413(11) Uani 1 1 d . . . . .
N8 N 0.9793(4) 0.6418(3) 0.6936(2) 0.0470(12) Uani 1 1 d . . . . .
N9 N 0.8461(5) 0.5660(3) 0.6292(2) 0.0520(13) Uani 1 1 d . . . . .
C44 C 0.5819(5) 0.6190(3) 0.7798(2) 0.0347(10) Uani 1 1 d . . . . .
C45 C 0.4730(5) 0.6343(4) 0.8542(3) 0.0488(15) Uani 1 1 d . . . . .
H45 H 0.454883 0.642663 0.890996 0.059 Uiso 1 1 calc R U . . .
C46 C 0.3920(6) 0.6213(4) 0.8077(3) 0.0516(15) Uani 1 1 d . . . . .
H46 H 0.307512 0.619797 0.806501 0.062 Uiso 1 1 calc R U . . .
C47 C 0.7023(5) 0.6515(3) 0.8721(2) 0.0349(11) Uani 1 1 d . . . . .
C48 C 0.7661(5) 0.7290(3) 0.8866(2) 0.0369(11) Uani 1 1 d . . . . .
C49 C 0.8769(5) 0.7456(3) 0.9217(2) 0.0385(11) Uani 1 1 d . . . . .
H49 H 0.922092 0.796538 0.932321 0.046 Uiso 1 1 calc R U . . .
C50 C 0.9208(5) 0.6882(4) 0.9408(2) 0.0408(12) Uani 1 1 d . . . . .
H50 H 0.994994 0.700492 0.963836 0.049 Uiso 1 1 calc R U . . .
C51 C 0.8539(6) 0.6119(3) 0.9254(2) 0.0402(12) Uani 1 1 d . . . . .
H51 H 0.883807 0.573541 0.938594 0.048 Uiso 1 1 calc R U . . .
C52 C 0.7432(5) 0.5918(3) 0.8908(2) 0.0367(11) Uani 1 1 d . . . . .
C53 C 0.7182(5) 0.7927(3) 0.8666(2) 0.0426(12) Uani 1 1 d . . . . .
H53 H 0.640162 0.768615 0.842983 0.051 Uiso 1 1 calc R U . . .
C54 C 0.6906(7) 0.8529(4) 0.9152(3) 0.0577(17) Uani 1 1 d . . . . .
H54A H 0.636853 0.827041 0.937882 0.087 Uiso 1 1 calc R U . . .
H54B H 0.651034 0.888611 0.900725 0.087 Uiso 1 1 calc R U . . .
H54C H 0.766689 0.880756 0.937335 0.087 Uiso 1 1 calc R U . . .
C55 C 0.8074(8) 0.8312(5) 0.8314(3) 0.0633(19) Uani 1 1 d . . . . .
H55A H 0.884460 0.856184 0.853726 0.095 Uiso 1 1 calc R U . . .
H55B H 0.772674 0.869088 0.817283 0.095 Uiso 1 1 calc R U . . .
H55C H 0.821515 0.792797 0.800831 0.095 Uiso 1 1 calc R U . . .
C56 C 0.6687(6) 0.5081(3) 0.8762(2) 0.0474(14) Uani 1 1 d . . . . .
H56 H 0.611580 0.500958 0.842674 0.057 Uiso 1 1 calc R U . . .
C57 C 0.7524(9) 0.4489(4) 0.8652(4) 0.076(2) Uani 1 1 d . . . . .
H57A H 0.791591 0.444822 0.900039 0.114 Uiso 1 1 calc R U . . .
H57B H 0.814594 0.466046 0.842410 0.114 Uiso 1 1 calc R U . . .
H57C H 0.703047 0.399207 0.846461 0.114 Uiso 1 1 calc R U . . .
C58 C 0.5941(7) 0.4902(4) 0.9232(3) 0.0519(15) Uani 1 1 d . . . . .
H58A H 0.536688 0.441177 0.910699 0.078 Uiso 1 1 calc R U . . .
H58B H 0.549356 0.530131 0.934272 0.078 Uiso 1 1 calc R U . . .
H58C H 0.648919 0.488083 0.954262 0.078 Uiso 1 1 calc R U . . .
C59 C 0.4122(5) 0.5975(3) 0.7047(2) 0.0378(11) Uani 1 1 d . . . . .
C60 C 0.3541(6) 0.5221(4) 0.6766(3) 0.0558(17) Uani 1 1 d D . . . .
C61 C 0.3075(6) 0.5120(4) 0.6214(3) 0.0574(17) Uani 1 1 d . . . . .
H61 H 0.269099 0.462426 0.601476 0.069 Uiso 1 1 calc R U . . .
C62 C 0.3163(7) 0.5724(4) 0.5957(3) 0.0538(16) Uani 1 1 d . . . . .
H62 H 0.285100 0.563964 0.558548 0.065 Uiso 1 1 calc R U . . .
C63 C 0.3723(6) 0.6468(4) 0.6252(3) 0.0485(14) Uani 1 1 d . . . . .
H63 H 0.376832 0.687997 0.607456 0.058 Uiso 1 1 calc R U . . .
C64 C 0.4215(5) 0.6614(3) 0.6804(2) 0.0369(11) Uani 1 1 d . . . . .
C65 C 0.3619(15) 0.4442(7) 0.6931(7) 0.052(3) Uani 0.495(13) 1 d D . P A 1
H65 H 0.420156 0.457412 0.726941 0.062 Uiso 0.495(13) 1 calc R U P A 1
C66 C 0.4029(17) 0.3837(9) 0.6535(9) 0.079(5) Uani 0.495(13) 1 d D U P A 1
H66A H 0.483012 0.404682 0.643607 0.118 Uiso 0.495(13) 1 calc R U P A 1
H66B H 0.407790 0.340885 0.670614 0.118 Uiso 0.495(13) 1 calc R U P A 1
H66C H 0.344693 0.366074 0.620670 0.118 Uiso 0.495(13) 1 calc R U P A 1
C67 C 0.233(2) 0.4127(14) 0.7101(10) 0.068(6) Uani 0.495(13) 1 d D U P A 1
H67A H 0.208874 0.453060 0.735721 0.103 Uiso 0.495(13) 1 calc R U P A 1
H67B H 0.174214 0.395310 0.677543 0.103 Uiso 0.495(13) 1 calc R U P A 1
H67C H 0.237311 0.370121 0.727488 0.103 Uiso 0.495(13) 1 calc R U P A 1
C68 C 0.4826(6) 0.7435(3) 0.7127(3) 0.0455(13) Uani 1 1 d . . . . .
H68 H 0.515652 0.739702 0.749642 0.055 Uiso 1 1 calc R U . . .
C69 C 0.5918(8) 0.7791(4) 0.6842(4) 0.0659(19) Uani 1 1 d . . . . .
H69A H 0.642532 0.742154 0.674539 0.099 Uiso 1 1 calc R U . . .
H69B H 0.640299 0.824800 0.709123 0.099 Uiso 1 1 calc R U . . .
H69C H 0.561072 0.792594 0.651067 0.099 Uiso 1 1 calc R U . . .
C70 C 0.3868(8) 0.7930(5) 0.7211(4) 0.078(3) Uani 1 1 d . . . . .
H70A H 0.353630 0.798470 0.685580 0.117 Uiso 1 1 calc R U . . .
H70B H 0.425081 0.843221 0.743582 0.117 Uiso 1 1 calc R U . . .
H70C H 0.321236 0.768515 0.739444 0.117 Uiso 1 1 calc R U . . .
C71 C 0.8563(5) 0.6077(3) 0.6811(2) 0.0381(11) Uani 1 1 d . . . . .
C72 C 1.0452(7) 0.6209(5) 0.6487(3) 0.069(2) Uani 1 1 d . . . . .
H72 H 1.129848 0.637138 0.647200 0.083 Uiso 1 1 calc R U . . .
C73 C 0.9638(7) 0.5735(5) 0.6084(4) 0.072(2) Uani 1 1 d . . . . .
H73 H 0.980463 0.549728 0.573459 0.086 Uiso 1 1 calc R U . . .
C74 C 1.0309(5) 0.6986(3) 0.7435(2) 0.0402(12) Uani 1 1 d . . . . .
C75 C 1.0526(5) 0.7770(4) 0.7411(2) 0.0411(12) Uani 1 1 d . . . . .
C76 C 1.1064(5) 0.8305(3) 0.7890(3) 0.0426(12) Uani 1 1 d . . . . .
H76 H 1.120296 0.883042 0.788868 0.051 Uiso 1 1 calc R U . . .
C77 C 1.1407(5) 0.8078(4) 0.8376(3) 0.0455(13) Uani 1 1 d . . . . .
C78 C 1.1170(5) 0.7302(4) 0.8379(3) 0.0482(14) Uani 1 1 d . . . . .
H78 H 1.138373 0.715070 0.870425 0.058 Uiso 1 1 calc R U . . .
C79 C 1.0627(5) 0.6744(4) 0.7916(3) 0.0437(13) Uani 1 1 d . . . . .
C80 C 1.0153(7) 0.8027(4) 0.6889(3) 0.0541(15) Uani 1 1 d . . . . .
H80A H 1.066574 0.787629 0.660551 0.081 Uiso 1 1 calc R U . . .
H80B H 1.025574 0.858094 0.697032 0.081 Uiso 1 1 calc R U . . .
H80C H 0.930155 0.778793 0.675917 0.081 Uiso 1 1 calc R U . . .
C81 C 1.1990(8) 0.8678(5) 0.8897(3) 0.0642(19) Uani 1 1 d . . . . .
H81A H 1.237980 0.914878 0.879676 0.096 Uiso 1 1 calc R U . . .
H81B H 1.259941 0.848626 0.909038 0.096 Uiso 1 1 calc R U . . .
H81C H 1.136226 0.877756 0.913492 0.096 Uiso 1 1 calc R U . . .
C82 C 1.0353(6) 0.5896(4) 0.7935(4) 0.0568(17) Uani 1 1 d . . . . .
H82A H 0.947867 0.571592 0.794096 0.085 Uiso 1 1 calc R U . . .
H82B H 1.078870 0.582942 0.826516 0.085 Uiso 1 1 calc R U . . .
H82C H 1.061666 0.560268 0.761256 0.085 Uiso 1 1 calc R U . . .
C83 C 0.7308(7) 0.5319(5) 0.5937(3) 0.077(3) Uani 1 1 d D . . . .
H83A H 0.745329 0.485320 0.570154 0.092 Uiso 0.591(7) 1 calc R U P B 1
H83B H 0.672131 0.514335 0.618474 0.092 Uiso 0.591(7) 1 calc R U P B 1
H83C H 0.667552 0.508505 0.614354 0.092 Uiso 0.409(7) 1 calc R U P B 2
H83D H 0.742211 0.492950 0.562279 0.092 Uiso 0.409(7) 1 calc R U P B 2
O3 O 0.5763(10) 0.5326(9) 0.5329(5) 0.100(4) Uani 0.591(7) 1 d D U P B 1
O4 O 0.7666(10) 0.8077(6) 0.5674(6) 0.097(4) Uani 0.591(7) 1 d D U P B 1
H4 H 0.806896 0.847582 0.560767 0.146 Uiso 0.591(7) 1 calc R U P B 1
N10 N 0.7223(15) 0.6354(8) 0.5612(6) 0.090(4) Uani 0.591(7) 1 d D U P B 1
H10 H 0.788020 0.658662 0.583343 0.108 Uiso 0.591(7) 1 calc R U P B 1
C84 C 0.6711(10) 0.5618(7) 0.5617(4) 0.059(3) Uani 0.591(7) 1 d D U P B 1
C85 C 0.670(2) 0.6772(8) 0.5243(8) 0.109(5) Uani 0.591(7) 1 d D U P B 1
H85A H 0.591119 0.685914 0.535846 0.130 Uiso 0.591(7) 1 calc R U P B 1
H85B H 0.655122 0.645788 0.486687 0.130 Uiso 0.591(7) 1 calc R U P B 1
C86 C 0.754(2) 0.7529(10) 0.5248(8) 0.107(5) Uani 0.591(7) 1 d D U P B 1
H86A H 0.835121 0.743388 0.518508 0.128 Uiso 0.591(7) 1 calc R U P B 1
H86B H 0.724477 0.771359 0.493113 0.128 Uiso 0.591(7) 1 calc R U P B 1
O3A O 0.7460(10) 0.6769(6) 0.5939(4) 0.053(3) Uani 0.409(7) 1 d D U P B 2
O4A O 0.7000(14) 0.6967(11) 0.4569(6) 0.089(5) Uani 0.409(7) 1 d D U P B 2
H4A H 0.735495 0.662463 0.444144 0.133 Uiso 0.409(7) 1 calc R U P B 2
N10A N 0.5986(12) 0.5913(8) 0.5306(5) 0.052(3) Uani 0.409(7) 1 d D U P B 2
H10A H 0.570642 0.543279 0.514725 0.062 Uiso 0.409(7) 1 calc R U P B 2
C84A C 0.6937(10) 0.6071(8) 0.5730(4) 0.045(3) Uani 0.409(7) 1 d D U P B 2
C85A C 0.5405(16) 0.6471(9) 0.5099(6) 0.057(4) Uani 0.409(7) 1 d D U P B 2
H85C H 0.560063 0.695204 0.537948 0.068 Uiso 0.409(7) 1 calc R U P B 2
H85D H 0.451496 0.627968 0.506308 0.068 Uiso 0.409(7) 1 calc R U P B 2
C86A C 0.5749(17) 0.6651(13) 0.4560(8) 0.078(5) Uani 0.409(7) 1 d D U P B 2
H86C H 0.552318 0.617819 0.427204 0.093 Uiso 0.409(7) 1 calc R U P B 2
H86D H 0.527685 0.701160 0.446236 0.093 Uiso 0.409(7) 1 calc R U P B 2
Au2 Au 0.91024(2) 0.80681(2) 0.24662(2) 0.02756(7) Uani 1 1 d . . . . .
F8 F 0.1849(13) 0.6373(6) 0.4185(4) 0.113(4) Uani 0.552(5) 1 d D U P C 1
P1 P 1.30711(11) 0.68412(8) -0.01040(5) 0.0331(3) Uani 1 1 d . . . . .
F1 F 1.2305(4) 0.7510(2) -0.00355(17) 0.0542(9) Uani 1 1 d . . . . .
F2 F 1.3845(3) 0.6180(2) -0.01771(14) 0.0484(8) Uani 1 1 d . . . . .
F3 F 1.3614(3) 0.7121(2) 0.05385(14) 0.0520(9) Uani 1 1 d . . . . .
F4 F 1.1931(3) 0.6279(2) 0.00680(15) 0.0509(8) Uani 1 1 d . . . . .
F15 F 0.0318(14) 0.6958(7) 0.5297(4) 0.109(4) Uani 0.448(5) 1 d D U P C 2
F5 F 1.2520(3) 0.6540(2) -0.07455(13) 0.0523(9) Uani 1 1 d . . . . .
F6 F 1.4213(3) 0.7411(2) -0.02698(18) 0.0585(9) Uani 1 1 d . . . . .
O1 O 0.9498(7) 0.9308(3) 0.4129(3) 0.0788(17) Uani 1 1 d . . . . .
O2 O 0.9779(6) 0.9146(3) 0.5708(3) 0.0741(15) Uani 1 1 d . . . . .
H2 H 0.978221 0.960712 0.573631 0.111 Uiso 1 1 calc R U . . .
N1 N 1.0329(4) 0.7610(3) 0.14222(18) 0.0327(9) Uani 1 1 d . . . . .
N2 N 1.1653(4) 0.7952(2) 0.21478(18) 0.0327(9) Uani 1 1 d . . . . .
N3 N 0.6746(4) 0.8508(3) 0.2861(2) 0.0434(11) Uani 1 1 d . . . . .
N4 N 0.7757(6) 0.8132(3) 0.3488(2) 0.0485(12) Uani 1 1 d . . . . .
N5 N 1.0327(8) 0.8524(4) 0.4569(3) 0.0709(18) Uani 1 1 d . . . . .
H5 H 1.031491 0.804717 0.457270 0.085 Uiso 1 1 calc R U . . .
F12 F 0.0347(11) 0.6886(7) 0.4679(6) 0.129(4) Uani 0.552(5) 1 d D U P C 1
C1 C 1.0433(4) 0.7854(3) 0.1975(2) 0.0281(9) Uani 1 1 d . . . . .
C2 C 1.1486(5) 0.7562(3) 0.1232(2) 0.0406(12) Uani 1 1 d . . . . .
H2A H 1.165257 0.741759 0.086531 0.049 Uiso 1 1 calc R U . . .
C3 C 1.2306(5) 0.7771(3) 0.1697(2) 0.0407(12) Uani 1 1 d . . . . .
H3 H 1.315184 0.778831 0.171097 0.049 Uiso 1 1 calc R U . . .
C4 C 0.9196(4) 0.7471(3) 0.10593(19) 0.0309(10) Uani 1 1 d . . . . .
C5 C 0.8431(5) 0.6731(3) 0.0931(2) 0.0353(11) Uani 1 1 d . . . . .
C6 C 0.7334(5) 0.6633(3) 0.0591(2) 0.0394(11) Uani 1 1 d . . . . .
H6 H 0.680741 0.614500 0.048955 0.047 Uiso 1 1 calc R U . . .
C7 C 0.7005(5) 0.7244(3) 0.0400(2) 0.0390(12) Uani 1 1 d . . . . .
H7 H 0.625966 0.716555 0.017903 0.047 Uiso 1 1 calc R U . . .
C8 C 0.7793(5) 0.7975(3) 0.0541(2) 0.0392(11) Uani 1 1 d . . . . .
H8 H 0.756544 0.838306 0.041251 0.047 Uiso 1 1 calc R U . . .
C9 C 0.8914(5) 0.8109(3) 0.0871(2) 0.0342(10) Uani 1 1 d . . . . .
C10 C 0.8781(6) 0.6057(3) 0.1132(2) 0.0434(13) Uani 1 1 d . . . . .
H10B H 0.948406 0.626353 0.142130 0.052 Uiso 1 1 calc R U . . .
C11 C 0.9181(7) 0.5502(4) 0.0662(3) 0.0554(16) Uani 1 1 d . . . . .
H11A H 0.850313 0.528864 0.037463 0.083 Uiso 1 1 calc R U . . .
H11B H 0.942456 0.508981 0.080404 0.083 Uiso 1 1 calc R U . . .
H11C H 0.986780 0.577684 0.051189 0.083 Uiso 1 1 calc R U . . .
C12 C 0.7730(9) 0.5616(6) 0.1384(4) 0.083(3) Uani 1 1 d . . . . .
H12A H 0.752025 0.595680 0.169867 0.125 Uiso 1 1 calc R U . . .
H12B H 0.798315 0.519050 0.150349 0.125 Uiso 1 1 calc R U . . .
H12C H 0.702098 0.542100 0.111116 0.125 Uiso 1 1 calc R U . . .
C13 C 0.9767(5) 0.8909(3) 0.1027(2) 0.0400(12) Uani 1 1 d . . . . .
H13 H 1.052686 0.885879 0.122848 0.048 Uiso 1 1 calc R U . . .
C14 C 0.9194(7) 0.9471(4) 0.1423(3) 0.0568(17) Uani 1 1 d . . . . .
H14A H 0.898833 0.926205 0.174179 0.085 Uiso 1 1 calc R U . . .
H14B H 0.845686 0.954485 0.123453 0.085 Uiso 1 1 calc R U . . .
H14C H 0.977553 0.995953 0.154032 0.085 Uiso 1 1 calc R U . . .
C15 C 1.0133(9) 0.9208(5) 0.0512(3) 0.081(3) Uani 1 1 d . . . . .
H15A H 1.053222 0.885084 0.028688 0.121 Uiso 1 1 calc R U . . .
H15B H 1.069197 0.970584 0.062403 0.121 Uiso 1 1 calc R U . . .
H15C H 0.940558 0.925507 0.030082 0.121 Uiso 1 1 calc R U . . .
C16 C 1.2156(5) 0.8220(3) 0.2721(2) 0.0365(11) Uani 1 1 d . . . . .
P2 P 0.1773(6) 0.6744(2) 0.48233(16) 0.0957(17) Uani 0.552(5) 1 d D U P C 1
C17 C 1.2399(5) 0.7674(4) 0.3016(3) 0.0482(14) Uani 1 1 d . . . . .
F10 F 0.3239(10) 0.6601(7) 0.4955(5) 0.116(4) Uani 0.552(5) 1 d D U P C 1
C18 C 1.2857(6) 0.7957(6) 0.3577(3) 0.062(2) Uani 1 1 d . . . . .
H18 H 1.303253 0.761238 0.378932 0.074 Uiso 1 1 calc R U . . .
F13 F -0.0586(12) 0.6722(7) 0.4385(5) 0.107(4) Uani 0.448(5) 1 d D U P C 2
C19 C 1.3053(7) 0.8723(6) 0.3820(3) 0.066(2) Uani 1 1 d . . . . .
H19 H 1.335055 0.889099 0.419564 0.079 Uiso 1 1 calc R U . . .
F17 F 0.0781(14) 0.5960(8) 0.4084(4) 0.110(4) Uani 0.448(5) 1 d D U P C 2
C20 C 1.2821(6) 0.9248(5) 0.3524(3) 0.0567(18) Uani 1 1 d . . . . .
H20 H 1.297611 0.976992 0.369818 0.068 Uiso 1 1 calc R U . . .
C21 C 1.2352(5) 0.9013(4) 0.2959(2) 0.0406(12) Uani 1 1 d . . . . .
C22 C 1.2139(8) 0.6812(5) 0.2741(4) 0.0651(19) Uani 1 1 d . . . . .
H22 H 1.220164 0.676256 0.234109 0.078 Uiso 1 1 calc R U . . .
C23 C 1.0821(8) 0.6438(4) 0.2816(4) 0.0650(19) Uani 1 1 d . . . . .
H23A H 1.062101 0.590876 0.261171 0.097 Uiso 1 1 calc R U . . .
H23B H 1.025816 0.671568 0.267990 0.097 Uiso 1 1 calc R U . . .
H23C H 1.075291 0.645339 0.320414 0.097 Uiso 1 1 calc R U . . .
C24 C 1.3031(11) 0.6384(7) 0.2965(7) 0.121(5) Uani 1 1 d . . . . .
H24A H 1.284932 0.585528 0.276060 0.181 Uiso 1 1 calc R U . . .
H24B H 1.294717 0.639821 0.335167 0.181 Uiso 1 1 calc R U . . .
H24C H 1.386407 0.662833 0.292463 0.181 Uiso 1 1 calc R U . . .
C25 C 1.2136(6) 0.9597(3) 0.2622(3) 0.0469(13) Uani 1 1 d . . . . .
H25 H 1.159521 0.930644 0.228480 0.056 Uiso 1 1 calc R U . . .
C26 C 1.1482(8) 1.0205(4) 0.2912(4) 0.0662(19) Uani 1 1 d . . . . .
H26A H 1.068484 0.995429 0.299259 0.099 Uiso 1 1 calc R U . . .
H26B H 1.137761 1.055270 0.267410 0.099 Uiso 1 1 calc R U . . .
H26C H 1.196925 1.049161 0.325353 0.099 Uiso 1 1 calc R U . . .
C27 C 1.3364(7) 0.9963(5) 0.2432(4) 0.0643(19) Uani 1 1 d . . . . .
H27A H 1.392229 1.025590 0.275162 0.096 Uiso 1 1 calc R U . . .
H27B H 1.321451 1.029980 0.219207 0.096 Uiso 1 1 calc R U . . .
H27C H 1.372369 0.956133 0.223387 0.096 Uiso 1 1 calc R U . . .
C28 C 0.7811(5) 0.8258(3) 0.2975(2) 0.0342(11) Uani 1 1 d . . . . .
C29 C 0.6070(7) 0.8524(4) 0.3318(3) 0.0612(19) Uani 1 1 d . . . . .
H29 H 0.531243 0.866758 0.334317 0.073 Uiso 1 1 calc R U . . .
C30 C 0.6677(8) 0.8303(4) 0.3707(3) 0.065(2) Uani 1 1 d . . . . .
H30 H 0.644198 0.826563 0.405772 0.077 Uiso 1 1 calc R U . . .
C31 C 0.6418(5) 0.8750(3) 0.2367(3) 0.0435(13) Uani 1 1 d . . . . .
C32 C 0.5883(5) 0.8192(4) 0.1879(3) 0.0476(15) Uani 1 1 d . . . . .
C33 C 0.5544(5) 0.8455(4) 0.1419(3) 0.0540(17) Uani 1 1 d . . . . .
H33 H 0.520268 0.809285 0.109297 0.065 Uiso 1 1 calc R U . . .
C34 C 0.5687(6) 0.9237(4) 0.1419(3) 0.0557(17) Uani 1 1 d . . . . .
C35 C 0.6219(6) 0.9765(4) 0.1910(3) 0.0541(16) Uani 1 1 d . . . . .
H35 H 0.632052 1.029225 0.192076 0.065 Uiso 1 1 calc R U . . .
C36 C 0.6600(5) 0.9537(3) 0.2379(3) 0.0430(13) Uani 1 1 d . . . . .
C37 C 0.5699(6) 0.7335(4) 0.1862(3) 0.0606(19) Uani 1 1 d . . . . .
H37A H 0.648796 0.720849 0.192857 0.091 Uiso 1 1 calc R U . . .
H37B H 0.530225 0.704436 0.150349 0.091 Uiso 1 1 calc R U . . .
H37C H 0.518854 0.720617 0.214499 0.091 Uiso 1 1 calc R U . . .
C38 C 0.5285(8) 0.9499(5) 0.0903(4) 0.081(3) Uani 1 1 d . . . . .
H38A H 0.589797 0.946666 0.064647 0.122 Uiso 1 1 calc R U . . .
H38B H 0.519355 1.002529 0.100579 0.122 Uiso 1 1 calc R U . . .
H38C H 0.450705 0.917111 0.072938 0.122 Uiso 1 1 calc R U . . .
C39 C 0.7182(7) 1.0126(4) 0.2912(3) 0.0551(16) Uani 1 1 d . . . . .
H39A H 0.667448 1.005538 0.320672 0.083 Uiso 1 1 calc R U . . .
H39B H 0.724475 1.064090 0.285160 0.083 Uiso 1 1 calc R U . . .
H39C H 0.799338 1.005300 0.301314 0.083 Uiso 1 1 calc R U . . .
C40 C 0.8756(8) 0.7946(4) 0.3807(3) 0.0567(17) Uani 1 1 d . . . . .
H40A H 0.925884 0.769457 0.355266 0.068 Uiso 1 1 calc R U . . .
H40B H 0.840991 0.758492 0.402850 0.068 Uiso 1 1 calc R U . . .
C41 C 0.9574(8) 0.8671(4) 0.4191(3) 0.0593(18) Uani 1 1 d . . . . .
C42 C 1.1184(9) 0.9125(6) 0.4985(3) 0.076(2) Uani 1 1 d . . . . .
H42A H 1.106975 0.963236 0.494957 0.091 Uiso 1 1 calc R U . . .
H42B H 1.203055 0.909745 0.492352 0.091 Uiso 1 1 calc R U . . .
C43 C 1.0944(9) 0.9007(6) 0.5565(3) 0.074(2) Uani 1 1 d . . . . .
H43A H 1.097664 0.848020 0.558434 0.089 Uiso 1 1 calc R U . . .
H43B H 1.159246 0.935511 0.583440 0.089 Uiso 1 1 calc R U . . .
F7 F 0.1774(11) 0.7097(5) 0.5475(3) 0.099(3) Uani 0.552(5) 1 d D U P C 1
F9 F 0.2398(11) 0.7618(5) 0.4740(4) 0.106(4) Uani 0.552(5) 1 d D U P C 1
F11 F 0.1135(11) 0.5867(5) 0.4912(4) 0.092(3) Uani 0.552(5) 1 d D U P C 1
P3 P 0.0577(6) 0.6460(3) 0.4696(2) 0.0765(15) Uani 0.448(5) 1 d D U P C 2
F14 F 0.1715(13) 0.6187(9) 0.4995(6) 0.117(4) Uani 0.448(5) 1 d D U P C 2
F16 F -0.0447(12) 0.5682(6) 0.4781(5) 0.100(4) Uani 0.448(5) 1 d D U P C 2
F18 F 0.1526(13) 0.7242(7) 0.4592(6) 0.115(4) Uani 0.448(5) 1 d D U P C 2
C67A C 0.2072(18) 0.4057(16) 0.6933(13) 0.078(7) Uani 0.505(13) 1 d D U P A 2
H67D H 0.141934 0.433590 0.696802 0.117 Uiso 0.505(13) 1 calc R U P A 2
H67E H 0.207352 0.381384 0.654966 0.117 Uiso 0.505(13) 1 calc R U P A 2
H67F H 0.194122 0.366823 0.715084 0.117 Uiso 0.505(13) 1 calc R U P A 2
C65A C 0.3318(15) 0.4621(7) 0.7144(6) 0.052(3) Uani 0.505(13) 1 d D . P A 2
H65A H 0.332016 0.488541 0.753208 0.062 Uiso 0.505(13) 1 calc R U P A 2
C66A C 0.4324(18) 0.4194(11) 0.7091(10) 0.088(5) Uani 0.505(13) 1 d D U P A 2
H66D H 0.510495 0.454806 0.722327 0.132 Uiso 0.505(13) 1 calc R U P A 2
H66E H 0.419486 0.380466 0.730861 0.132 Uiso 0.505(13) 1 calc R U P A 2
H66F H 0.432716 0.395026 0.670743 0.132 Uiso 0.505(13) 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C44 2.017(5) . ?
Au1 C71 2.010(6) . ?
N6 C44 1.339(7) . ?
N6 C45 1.404(7) . ?
N6 C47 1.434(6) . ?
N7 C44 1.362(7) . ?
N7 C46 1.392(8) . ?
N7 C59 1.439(7) . ?
N8 C71 1.366(8) . ?
N8 C72 1.397(9) . ?
N8 C74 1.434(8) . ?
N9 C71 1.333(8) . ?
N9 C73 1.423(9) . ?
N9 C83 1.450(9) . ?
C45 H45 0.9300 . ?
C45 C46 1.362(9) . ?
C46 H46 0.9300 . ?
C47 C48 1.398(8) . ?
C47 C52 1.397(8) . ?
C48 C49 1.400(8) . ?
C48 C53 1.512(8) . ?
C49 H49 0.9300 . ?
C49 C50 1.380(8) . ?
C50 H50 0.9300 . ?
C50 C51 1.390(9) . ?
C51 H51 0.9300 . ?
C51 C52 1.389(8) . ?
C52 C56 1.528(8) . ?
C53 H53 0.9800 . ?
C53 C54 1.539(9) . ?
C53 C55 1.514(9) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56 0.9800 . ?
C56 C57 1.546(10) . ?
C56 C58 1.514(9) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 C60 1.398(9) . ?
C59 C64 1.392(8) . ?
C60 C61 1.388(9) . ?
C60 C65 1.555(13) . ?
C60 C65A 1.558(13) . ?
C61 H61 0.9300 . ?
C61 C62 1.358(11) . ?
C62 H62 0.9300 . ?
C62 C63 1.390(10) . ?
C63 H63 0.9300 . ?
C63 C64 1.387(8) . ?
C64 C68 1.531(8) . ?
C65 H65 0.9800 . ?
C65 C66 1.48(2) . ?
C65 C67 1.540(19) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 H68 0.9800 . ?
C68 C69 1.533(10) . ?
C68 C70 1.517(9) . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C72 H72 0.9300 . ?
C72 C73 1.329(11) . ?
C73 H73 0.9300 . ?
C74 C75 1.401(9) . ?
C74 C79 1.392(9) . ?
C75 C76 1.377(8) . ?
C75 C80 1.516(8) . ?
C76 H76 0.9300 . ?
C76 C77 1.398(8) . ?
C77 C78 1.373(10) . ?
C77 C81 1.514(9) . ?
C78 H78 0.9300 . ?
C78 C79 1.373(10) . ?
C79 C82 1.511(9) . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C83 H83A 0.9700 . ?
C83 H83B 0.9700 . ?
C83 H83C 0.9700 . ?
C83 H83D 0.9700 . ?
C83 C84 1.265(15) . ?
C83 C84A 1.659(15) . ?
O3 C84 1.192(13) . ?
O4 H4 0.8200 . ?
O4 C86 1.266(15) . ?
N10 H10 0.8600 . ?
N10 C84 1.337(14) . ?
N10 C85 1.455(15) . ?
C85 H85A 0.9700 . ?
C85 H85B 0.9700 . ?
C85 C86 1.487(16) . ?
C86 H86A 0.9700 . ?
C86 H86B 0.9700 . ?
O3A C84A 1.262(15) . ?
O4A H4A 0.8200 . ?
O4A C86A 1.386(17) . ?
N10A H10A 0.8600 . ?
N10A C84A 1.381(15) . ?
N10A C85A 1.455(15) . ?
C85A H85C 0.9700 . ?
C85A H85D 0.9700 . ?
C85A C86A 1.487(16) . ?
C86A H86C 0.9700 . ?
C86A H86D 0.9700 . ?
Au2 C1 2.016(5) . ?
Au2 C28 1.999(5) . ?
F8 P2 1.596(9) . ?
P1 F1 1.600(4) . ?
P1 F2 1.594(3) . ?
P1 F3 1.600(3) . ?
P1 F4 1.591(4) . ?
P1 F5 1.602(3) . ?
P1 F6 1.593(4) . ?
F15 P3 1.646(10) . ?
O1 C41 1.209(9) . ?
O2 H2 0.8200 . ?
O2 C43 1.417(11) . ?
N1 C1 1.336(6) . ?
N1 C2 1.407(7) . ?
N1 C4 1.443(6) . ?
N2 C1 1.357(6) . ?
N2 C3 1.385(7) . ?
N2 C16 1.434(6) . ?
N3 C28 1.379(8) . ?
N3 C29 1.391(8) . ?
N3 C31 1.425(9) . ?
N4 C28 1.333(7) . ?
N4 C30 1.409(9) . ?
N4 C40 1.450(10) . ?
N5 H5 0.8600 . ?
N5 C41 1.315(11) . ?
N5 C42 1.463(11) . ?
F12 P2 1.679(11) . ?
C2 H2A 0.9300 . ?
C2 C3 1.357(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.394(8) . ?
C4 C9 1.409(8) . ?
C5 C6 1.393(8) . ?
C5 C10 1.512(8) . ?
C6 H6 0.9300 . ?
C6 C7 1.385(9) . ?
C7 H7 0.9300 . ?
C7 C8 1.393(8) . ?
C8 H8 0.9300 . ?
C8 C9 1.390(8) . ?
C9 C13 1.518(8) . ?
C10 H10B 0.9800 . ?
C10 C11 1.523(9) . ?
C10 C12 1.515(10) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13 0.9800 . ?
C13 C14 1.524(9) . ?
C13 C15 1.524(9) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.395(8) . ?
C16 C21 1.399(9) . ?
P2 F10 1.719(11) . ?
P2 F7 1.605(9) . ?
P2 F9 1.649(9) . ?
P2 F11 1.661(9) . ?
C17 C18 1.398(10) . ?
C17 C22 1.528(11) . ?
C18 H18 0.9300 . ?
C18 C19 1.358(13) . ?
F13 P3 1.656(10) . ?
C19 H19 0.9300 . ?
C19 C20 1.361(12) . ?
F17 P3 1.649(11) . ?
C20 H20 0.9300 . ?
C20 C21 1.404(8) . ?
C21 C25 1.513(9) . ?
C22 H22 0.9800 . ?
C22 C23 1.520(12) . ?
C22 C24 1.513(11) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25 0.9800 . ?
C25 C26 1.521(9) . ?
C25 C27 1.534(9) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C29 H29 0.9300 . ?
C29 C30 1.308(12) . ?
C30 H30 0.9300 . ?
C31 C32 1.413(8) . ?
C31 C36 1.387(9) . ?
C32 C33 1.374(11) . ?
C32 C37 1.512(10) . ?
C33 H33 0.9300 . ?
C33 C34 1.388(11) . ?
C34 C35 1.393(10) . ?
C34 C38 1.516(11) . ?
C35 H35 0.9300 . ?
C35 C36 1.374(10) . ?
C36 C39 1.525(8) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 C41 1.532(10) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C42 C43 1.521(12) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
P3 F14 1.630(11) . ?
P3 F16 1.677(11) . ?
P3 F18 1.656(12) . ?
C67A H67D 0.9600 . ?
C67A H67E 0.9600 . ?
C67A H67F 0.9600 . ?
C67A C65A 1.530(19) . ?
C65A H65A 0.9800 . ?
C65A C66A 1.48(2) . ?
C66A H66D 0.9600 . ?
C66A H66E 0.9600 . ?
C66A H66F 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
C71 Au1 C44 178.9(2) . . ?
C44 N6 C45 111.1(5) . . ?
C44 N6 C47 125.2(5) . . ?
C45 N6 C47 123.3(5) . . ?
C44 N7 C46 110.5(5) . . ?
C44 N7 C59 123.5(5) . . ?
C46 N7 C59 125.9(5) . . ?
C71 N8 C72 110.8(5) . . ?
C71 N8 C74 124.3(5) . . ?
C72 N8 C74 124.5(5) . . ?
C71 N9 C73 110.6(6) . . ?
C71 N9 C83 125.3(6) . . ?
C73 N9 C83 122.7(6) . . ?
N6 C44 Au1 128.2(4) . . ?
N6 C44 N7 105.6(5) . . ?
N7 C44 Au1 126.2(4) . . ?
N6 C45 H45 127.0 . . ?
C46 C45 N6 106.0(5) . . ?
C46 C45 H45 127.0 . . ?
N7 C46 H46 126.6 . . ?
C45 C46 N7 106.8(5) . . ?
C45 C46 H46 126.6 . . ?
C48 C47 N6 118.0(5) . . ?
C52 C47 N6 118.5(5) . . ?
C52 C47 C48 123.5(5) . . ?
C47 C48 C49 116.6(5) . . ?
C47 C48 C53 122.4(5) . . ?
C49 C48 C53 121.0(5) . . ?
C48 C49 H49 119.2 . . ?
C50 C49 C48 121.6(5) . . ?
C50 C49 H49 119.2 . . ?
C49 C50 H50 120.1 . . ?
C49 C50 C51 119.8(5) . . ?
C51 C50 H50 120.1 . . ?
C50 C51 H51 119.3 . . ?
C52 C51 C50 121.4(5) . . ?
C52 C51 H51 119.3 . . ?
C47 C52 C56 122.4(5) . . ?
C51 C52 C47 117.1(5) . . ?
C51 C52 C56 120.4(5) . . ?
C48 C53 H53 107.6 . . ?
C48 C53 C54 112.0(5) . . ?
C48 C53 C55 111.0(5) . . ?
C54 C53 H53 107.6 . . ?
C55 C53 H53 107.6 . . ?
C55 C53 C54 110.9(6) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C52 C56 H56 108.7 . . ?
C52 C56 C57 112.3(6) . . ?
C57 C56 H56 108.7 . . ?
C58 C56 C52 110.8(5) . . ?
C58 C56 H56 108.7 . . ?
C58 C56 C57 107.6(6) . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 N7 118.7(5) . . ?
C64 C59 N7 117.9(5) . . ?
C64 C59 C60 123.3(5) . . ?
C59 C60 C65 128.5(8) . . ?
C59 C60 C65A 114.8(7) . . ?
C61 C60 C59 116.9(6) . . ?
C61 C60 C65 112.7(8) . . ?
C61 C60 C65A 127.5(8) . . ?
C60 C61 H61 119.1 . . ?
C62 C61 C60 121.9(6) . . ?
C62 C61 H61 119.1 . . ?
C61 C62 H62 120.2 . . ?
C61 C62 C63 119.7(6) . . ?
C63 C62 H62 120.2 . . ?
C62 C63 H63 119.1 . . ?
C64 C63 C62 121.8(6) . . ?
C64 C63 H63 119.1 . . ?
C59 C64 C68 122.0(5) . . ?
C63 C64 C59 116.5(6) . . ?
C63 C64 C68 121.5(6) . . ?
C60 C65 H65 106.6 . . ?
C66 C65 C60 119.6(13) . . ?
C66 C65 H65 106.6 . . ?
C66 C65 C67 111.0(14) . . ?
C67 C65 C60 105.8(13) . . ?
C67 C65 H65 106.6 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C64 C68 H68 107.5 . . ?
C64 C68 C69 110.9(5) . . ?
C69 C68 H68 107.5 . . ?
C70 C68 C64 110.2(5) . . ?
C70 C68 H68 107.5 . . ?
C70 C68 C69 112.8(6) . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C68 C70 H70A 109.5 . . ?
C68 C70 H70B 109.5 . . ?
C68 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
N8 C71 Au1 127.9(4) . . ?
N9 C71 Au1 126.9(4) . . ?
N9 C71 N8 105.1(5) . . ?
N8 C72 H72 126.6 . . ?
C73 C72 N8 106.8(6) . . ?
C73 C72 H72 126.6 . . ?
N9 C73 H73 126.6 . . ?
C72 C73 N9 106.7(6) . . ?
C72 C73 H73 126.6 . . ?
C75 C74 N8 118.1(5) . . ?
C79 C74 N8 119.5(5) . . ?
C79 C74 C75 122.3(6) . . ?
C74 C75 C80 121.8(5) . . ?
C76 C75 C74 117.2(5) . . ?
C76 C75 C80 120.9(6) . . ?
C75 C76 H76 119.2 . . ?
C75 C76 C77 121.7(6) . . ?
C77 C76 H76 119.2 . . ?
C76 C77 C81 120.7(6) . . ?
C78 C77 C76 118.9(6) . . ?
C78 C77 C81 120.4(6) . . ?
C77 C78 H78 119.0 . . ?
C77 C78 C79 121.9(6) . . ?
C79 C78 H78 119.0 . . ?
C74 C79 C82 121.3(6) . . ?
C78 C79 C74 117.9(6) . . ?
C78 C79 C82 120.8(6) . . ?
C75 C80 H80A 109.5 . . ?
C75 C80 H80B 109.5 . . ?
C75 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C77 C81 H81A 109.5 . . ?
C77 C81 H81B 109.5 . . ?
C77 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C79 C82 H82A 109.5 . . ?
C79 C82 H82B 109.5 . . ?
C79 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
N9 C83 H83A 105.0 . . ?
N9 C83 H83B 105.0 . . ?
N9 C83 H83C 111.1 . . ?
N9 C83 H83D 111.1 . . ?
N9 C83 C84A 103.1(7) . . ?
H83A C83 H83B 105.9 . . ?
H83C C83 H83D 109.1 . . ?
C84 C83 N9 129.1(9) . . ?
C84 C83 H83A 105.0 . . ?
C84 C83 H83B 105.0 . . ?
C84A C83 H83C 111.1 . . ?
C84A C83 H83D 111.1 . . ?
C86 O4 H4 109.5 . . ?
C84 N10 H10 119.0 . . ?
C84 N10 C85 122.0(14) . . ?
C85 N10 H10 119.0 . . ?
C83 C84 N10 114.7(11) . . ?
O3 C84 C83 128.0(14) . . ?
O3 C84 N10 117.3(15) . . ?
N10 C85 H85A 109.2 . . ?
N10 C85 H85B 109.2 . . ?
N10 C85 C86 111.9(16) . . ?
H85A C85 H85B 107.9 . . ?
C86 C85 H85A 109.2 . . ?
C86 C85 H85B 109.2 . . ?
O4 C86 C85 119.2(16) . . ?
O4 C86 H86A 107.5 . . ?
O4 C86 H86B 107.5 . . ?
C85 C86 H86A 107.5 . . ?
C85 C86 H86B 107.5 . . ?
H86A C86 H86B 107.0 . . ?
C86A O4A H4A 109.5 . . ?
C84A N10A H10A 116.5 . . ?
C84A N10A C85A 126.9(14) . . ?
C85A N10A H10A 116.5 . . ?
O3A C84A C83 124.2(11) . . ?
O3A C84A N10A 118.8(14) . . ?
N10A C84A C83 117.0(11) . . ?
N10A C85A H85C 108.0 . . ?
N10A C85A H85D 108.0 . . ?
N10A C85A C86A 117.1(15) . . ?
H85C C85A H85D 107.3 . . ?
C86A C85A H85C 108.0 . . ?
C86A C85A H85D 108.0 . . ?
O4A C86A C85A 113.3(16) . . ?
O4A C86A H86C 108.9 . . ?
O4A C86A H86D 108.9 . . ?
C85A C86A H86C 108.9 . . ?
C85A C86A H86D 108.9 . . ?
H86C C86A H86D 107.7 . . ?
C28 Au2 C1 177.6(2) . . ?
F1 P1 F3 90.4(2) . . ?
F1 P1 F5 90.5(2) . . ?
F2 P1 F1 179.3(2) . . ?
F2 P1 F3 89.88(19) . . ?
F2 P1 F5 89.19(19) . . ?
F3 P1 F5 178.6(2) . . ?
F4 P1 F1 89.5(2) . . ?
F4 P1 F2 91.2(2) . . ?
F4 P1 F3 89.1(2) . . ?
F4 P1 F5 90.0(2) . . ?
F4 P1 F6 179.3(2) . . ?
F6 P1 F1 90.1(2) . . ?
F6 P1 F2 89.2(2) . . ?
F6 P1 F3 90.4(2) . . ?
F6 P1 F5 90.6(2) . . ?
C43 O2 H2 109.5 . . ?
C1 N1 C2 111.4(4) . . ?
C1 N1 C4 124.6(4) . . ?
C2 N1 C4 123.9(4) . . ?
C1 N2 C3 110.4(4) . . ?
C1 N2 C16 123.0(4) . . ?
C3 N2 C16 126.6(4) . . ?
C28 N3 C29 109.1(6) . . ?
C28 N3 C31 125.6(5) . . ?
C29 N3 C31 125.2(6) . . ?
C28 N4 C30 111.2(6) . . ?
C28 N4 C40 124.2(5) . . ?
C30 N4 C40 124.2(6) . . ?
C41 N5 H5 118.1 . . ?
C41 N5 C42 123.8(8) . . ?
C42 N5 H5 118.1 . . ?
N1 C1 Au2 128.6(3) . . ?
N1 C1 N2 105.5(4) . . ?
N2 C1 Au2 126.0(4) . . ?
N1 C2 H2A 127.4 . . ?
C3 C2 N1 105.3(5) . . ?
C3 C2 H2A 127.4 . . ?
N2 C3 H3 126.3 . . ?
C2 C3 N2 107.4(5) . . ?
C2 C3 H3 126.3 . . ?
C5 C4 N1 118.9(5) . . ?
C5 C4 C9 124.0(5) . . ?
C9 C4 N1 117.1(5) . . ?
C4 C5 C10 122.4(5) . . ?
C6 C5 C4 116.6(5) . . ?
C6 C5 C10 121.1(5) . . ?
C5 C6 H6 119.1 . . ?
C7 C6 C5 121.8(5) . . ?
C7 C6 H6 119.1 . . ?
C6 C7 H7 120.1 . . ?
C6 C7 C8 119.8(5) . . ?
C8 C7 H7 120.1 . . ?
C7 C8 H8 119.3 . . ?
C9 C8 C7 121.4(5) . . ?
C9 C8 H8 119.3 . . ?
C4 C9 C13 122.2(5) . . ?
C8 C9 C4 116.6(5) . . ?
C8 C9 C13 121.3(5) . . ?
C5 C10 H10B 108.0 . . ?
C5 C10 C11 111.3(5) . . ?
C5 C10 C12 111.9(5) . . ?
C11 C10 H10B 108.0 . . ?
C12 C10 H10B 108.0 . . ?
C12 C10 C11 109.5(6) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C13 H13 107.3 . . ?
C9 C13 C14 110.9(5) . . ?
C9 C13 C15 111.4(5) . . ?
C14 C13 H13 107.3 . . ?
C14 C13 C15 112.4(6) . . ?
C15 C13 H13 107.3 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 N2 118.2(5) . . ?
C17 C16 C21 123.3(5) . . ?
C21 C16 N2 118.5(5) . . ?
F8 P2 F12 91.9(6) . . ?
F8 P2 F10 86.9(6) . . ?
F8 P2 F7 176.3(8) . . ?
F8 P2 F9 91.4(5) . . ?
F8 P2 F11 89.1(5) . . ?
F12 P2 F10 178.6(7) . . ?
F7 P2 F12 91.8(7) . . ?
F7 P2 F10 89.4(6) . . ?
F7 P2 F9 89.3(5) . . ?
F7 P2 F11 90.2(5) . . ?
F9 P2 F12 90.7(6) . . ?
F9 P2 F10 88.7(6) . . ?
F9 P2 F11 179.5(7) . . ?
F11 P2 F12 89.0(6) . . ?
F11 P2 F10 91.6(6) . . ?
C16 C17 C18 116.4(7) . . ?
C16 C17 C22 121.3(6) . . ?
C18 C17 C22 122.2(6) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 C17 121.6(7) . . ?
C19 C18 H18 119.2 . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.1(6) . . ?
C20 C19 H19 119.4 . . ?
C19 C20 H20 119.5 . . ?
C19 C20 C21 121.0(7) . . ?
C21 C20 H20 119.5 . . ?
C16 C21 C20 116.6(6) . . ?
C16 C21 C25 122.1(5) . . ?
C20 C21 C25 121.2(6) . . ?
C17 C22 H22 108.2 . . ?
C23 C22 C17 108.9(6) . . ?
C23 C22 H22 108.2 . . ?
C24 C22 C17 113.6(9) . . ?
C24 C22 H22 108.2 . . ?
C24 C22 C23 109.6(7) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25 106.8 . . ?
C21 C25 C26 114.3(6) . . ?
C21 C25 C27 109.6(6) . . ?
C26 C25 H25 106.8 . . ?
C26 C25 C27 112.1(6) . . ?
C27 C25 H25 106.8 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N3 C28 Au2 127.5(4) . . ?
N4 C28 Au2 127.6(4) . . ?
N4 C28 N3 104.8(5) . . ?
N3 C29 H29 125.7 . . ?
C30 C29 N3 108.7(7) . . ?
C30 C29 H29 125.7 . . ?
N4 C30 H30 126.9 . . ?
C29 C30 N4 106.3(6) . . ?
C29 C30 H30 126.9 . . ?
C32 C31 N3 120.1(6) . . ?
C36 C31 N3 119.0(5) . . ?
C36 C31 C32 120.9(6) . . ?
C31 C32 C37 121.0(7) . . ?
C33 C32 C31 117.8(6) . . ?
C33 C32 C37 121.2(6) . . ?
C32 C33 H33 118.5 . . ?
C32 C33 C34 122.9(6) . . ?
C34 C33 H33 118.5 . . ?
C33 C34 C35 117.2(7) . . ?
C33 C34 C38 121.0(7) . . ?
C35 C34 C38 121.8(7) . . ?
C34 C35 H35 118.8 . . ?
C36 C35 C34 122.5(7) . . ?
C36 C35 H35 118.8 . . ?
C31 C36 C39 119.8(6) . . ?
C35 C36 C31 118.6(5) . . ?
C35 C36 C39 121.5(6) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N4 C40 H40A 109.3 . . ?
N4 C40 H40B 109.3 . . ?
N4 C40 C41 111.7(6) . . ?
H40A C40 H40B 107.9 . . ?
C41 C40 H40A 109.3 . . ?
C41 C40 H40B 109.3 . . ?
O1 C41 N5 125.8(8) . . ?
O1 C41 C40 120.1(7) . . ?
N5 C41 C40 114.1(7) . . ?
N5 C42 H42A 109.8 . . ?
N5 C42 H42B 109.8 . . ?
N5 C42 C43 109.6(8) . . ?
H42A C42 H42B 108.2 . . ?
C43 C42 H42A 109.8 . . ?
C43 C42 H42B 109.8 . . ?
O2 C43 C42 112.4(8) . . ?
O2 C43 H43A 109.1 . . ?
O2 C43 H43B 109.1 . . ?
C42 C43 H43A 109.1 . . ?
C42 C43 H43B 109.1 . . ?
H43A C43 H43B 107.9 . . ?
F15 P3 F13 89.5(7) . . ?
F15 P3 F17 177.8(8) . . ?
F15 P3 F16 90.1(6) . . ?
F15 P3 F18 90.1(7) . . ?
F13 P3 F16 87.8(7) . . ?
F13 P3 F18 89.0(6) . . ?
F17 P3 F13 88.5(6) . . ?
F17 P3 F16 89.0(6) . . ?
F17 P3 F18 90.7(7) . . ?
F14 P3 F15 91.3(7) . . ?
F14 P3 F13 179.0(8) . . ?
F14 P3 F17 90.8(7) . . ?
F14 P3 F16 91.6(7) . . ?
F14 P3 F18 91.6(7) . . ?
F18 P3 F16 176.8(7) . . ?
H67D C67A H67E 109.5 . . ?
H67D C67A H67F 109.5 . . ?
H67E C67A H67F 109.5 . . ?
C65A C67A H67D 109.5 . . ?
C65A C67A H67E 109.5 . . ?
C65A C67A H67F 109.5 . . ?
C60 C65A H65A 110.4 . . ?
C67A C65A C60 108.6(13) . . ?
C67A C65A H65A 110.4 . . ?
C66A C65A C60 107.5(13) . . ?
C66A C65A C67A 109.6(15) . . ?
C66A C65A H65A 110.4 . . ?
C65A C66A H66D 109.5 . . ?
C65A C66A H66E 109.5 . . ?
C65A C66A H66F 109.5 . . ?
H66D C66A H66E 109.5 . . ?
H66D C66A H66F 109.5 . . ?
H66E C66A H66F 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
N6 C45 C46 N7 0.9(8) . . . . ?
N6 C47 C48 C49 -178.9(5) . . . . ?
N6 C47 C48 C53 1.9(8) . . . . ?
N6 C47 C52 C51 178.9(5) . . . . ?
N6 C47 C52 C56 -3.5(8) . . . . ?
N7 C59 C60 C61 178.9(6) . . . . ?
N7 C59 C60 C65 -17.9(13) . . . . ?
N7 C59 C60 C65A 8.2(11) . . . . ?
N7 C59 C64 C63 -178.7(5) . . . . ?
N7 C59 C64 C68 1.2(8) . . . . ?
N8 C72 C73 N9 0.5(11) . . . . ?
N8 C74 C75 C76 -177.6(5) . . . . ?
N8 C74 C75 C80 4.1(8) . . . . ?
N8 C74 C79 C78 177.1(5) . . . . ?
N8 C74 C79 C82 -4.6(8) . . . . ?
N9 C83 C84 O3 180.0(9) . . . . ?
N9 C83 C84 N10 -0.5(10) . . . . ?
N9 C83 C84A O3A -11.7(7) . . . . ?
N9 C83 C84A N10A 168.9(7) . . . . ?
C44 N6 C45 C46 0.0(8) . . . . ?
C44 N6 C47 C48 84.0(7) . . . . ?
C44 N6 C47 C52 -95.3(7) . . . . ?
C44 N7 C46 C45 -1.6(8) . . . . ?
C44 N7 C59 C60 100.6(7) . . . . ?
C44 N7 C59 C64 -82.1(7) . . . . ?
C45 N6 C44 Au1 177.5(5) . . . . ?
C45 N6 C44 N7 -1.0(7) . . . . ?
C45 N6 C47 C48 -88.4(7) . . . . ?
C45 N6 C47 C52 92.3(7) . . . . ?
C46 N7 C44 Au1 -176.9(5) . . . . ?
C46 N7 C44 N6 1.6(7) . . . . ?
C46 N7 C59 C60 -83.1(8) . . . . ?
C46 N7 C59 C64 94.1(7) . . . . ?
C47 N6 C44 Au1 4.3(9) . . . . ?
C47 N6 C44 N7 -174.2(5) . . . . ?
C47 N6 C45 C46 173.4(6) . . . . ?
C47 C48 C49 C50 0.0(8) . . . . ?
C47 C48 C53 C54 117.3(6) . . . . ?
C47 C48 C53 C55 -118.2(7) . . . . ?
C47 C52 C56 C57 142.0(6) . . . . ?
C47 C52 C56 C58 -97.7(7) . . . . ?
C48 C47 C52 C51 -0.4(8) . . . . ?
C48 C47 C52 C56 177.2(5) . . . . ?
C48 C49 C50 C51 -0.4(9) . . . . ?
C49 C48 C53 C54 -61.8(7) . . . . ?
C49 C48 C53 C55 62.7(8) . . . . ?
C49 C50 C51 C52 0.3(9) . . . . ?
C50 C51 C52 C47 0.0(8) . . . . ?
C50 C51 C52 C56 -177.6(5) . . . . ?
C51 C52 C56 C57 -40.5(8) . . . . ?
C51 C52 C56 C58 79.8(7) . . . . ?
C52 C47 C48 C49 0.3(8) . . . . ?
C52 C47 C48 C53 -178.8(5) . . . . ?
C53 C48 C49 C50 179.2(5) . . . . ?
C59 N7 C44 Au1 -0.2(8) . . . . ?
C59 N7 C44 N6 178.4(5) . . . . ?
C59 N7 C46 C45 -178.3(6) . . . . ?
C59 C60 C61 C62 -0.6(11) . . . . ?
C59 C60 C65 C66 -123.6(14) . . . . ?
C59 C60 C65 C67 110.2(14) . . . . ?
C59 C60 C65A C67A 142.9(16) . . . . ?
C59 C60 C65A C66A -98.6(14) . . . . ?
C59 C64 C68 C69 121.4(6) . . . . ?
C59 C64 C68 C70 -112.9(7) . . . . ?
C60 C59 C64 C63 -1.6(9) . . . . ?
C60 C59 C64 C68 178.4(6) . . . . ?
C60 C61 C62 C63 -0.7(12) . . . . ?
C61 C60 C65 C66 40.2(16) . . . . ?
C61 C60 C65 C67 -86.0(15) . . . . ?
C61 C60 C65A C67A -27(2) . . . . ?
C61 C60 C65A C66A 91.8(15) . . . . ?
C61 C62 C63 C64 1.0(11) . . . . ?
C62 C63 C64 C59 0.1(9) . . . . ?
C62 C63 C64 C68 -179.8(6) . . . . ?
C63 C64 C68 C69 -58.7(8) . . . . ?
C63 C64 C68 C70 67.0(8) . . . . ?
C64 C59 C60 C61 1.8(10) . . . . ?
C64 C59 C60 C65 165.1(10) . . . . ?
C64 C59 C60 C65A -168.9(9) . . . . ?
C65 C60 C61 C62 -166.5(9) . . . . ?
C71 N8 C72 C73 -0.5(10) . . . . ?
C71 N8 C74 C75 -97.1(7) . . . . ?
C71 N8 C74 C79 85.8(8) . . . . ?
C71 N9 C73 C72 -0.4(11) . . . . ?
C71 N9 C83 C84 86.6(10) . . . . ?
C71 N9 C83 C84A 76.6(8) . . . . ?
C72 N8 C71 Au1 177.7(6) . . . . ?
C72 N8 C71 N9 0.2(8) . . . . ?
C72 N8 C74 C75 74.9(9) . . . . ?
C72 N8 C74 C79 -102.2(8) . . . . ?
C73 N9 C71 Au1 -177.4(6) . . . . ?
C73 N9 C71 N8 0.1(8) . . . . ?
C73 N9 C83 C84 -79.0(11) . . . . ?
C73 N9 C83 C84A -89.0(8) . . . . ?
C74 N8 C71 Au1 -9.4(9) . . . . ?
C74 N8 C71 N9 173.2(6) . . . . ?
C74 N8 C72 C73 -173.5(7) . . . . ?
C74 C75 C76 C77 1.4(9) . . . . ?
C75 C74 C79 C78 0.1(9) . . . . ?
C75 C74 C79 C82 178.4(6) . . . . ?
C75 C76 C77 C78 -1.7(9) . . . . ?
C75 C76 C77 C81 -179.7(6) . . . . ?
C76 C77 C78 C79 1.1(10) . . . . ?
C77 C78 C79 C74 -0.4(9) . . . . ?
C77 C78 C79 C82 -178.7(6) . . . . ?
C79 C74 C75 C76 -0.6(8) . . . . ?
C79 C74 C75 C80 -178.8(6) . . . . ?
C80 C75 C76 C77 179.6(6) . . . . ?
C81 C77 C78 C79 179.1(6) . . . . ?
C83 N9 C71 Au1 15.6(11) . . . . ?
C83 N9 C71 N8 -166.9(7) . . . . ?
C83 N9 C73 C72 167.0(8) . . . . ?
N10 C85 C86 O4 -72(3) . . . . ?
C84 N10 C85 C86 -170.8(14) . . . . ?
C85 N10 C84 C83 176.3(17) . . . . ?
C85 N10 C84 O3 -4.2(18) . . . . ?
N10A C85A C86A O4A -61(2) . . . . ?
C84A N10A C85A C86A 104.0(16) . . . . ?
C85A N10A C84A C83 172.4(12) . . . . ?
C85A N10A C84A O3A -7.0(13) . . . . ?
N1 C2 C3 N2 -1.2(7) . . . . ?
N1 C4 C5 C6 178.4(5) . . . . ?
N1 C4 C5 C10 -3.7(8) . . . . ?
N1 C4 C9 C8 -177.2(5) . . . . ?
N1 C4 C9 C13 1.3(7) . . . . ?
N2 C16 C17 C18 -178.4(5) . . . . ?
N2 C16 C17 C22 -0.1(9) . . . . ?
N2 C16 C21 C20 178.7(5) . . . . ?
N2 C16 C21 C25 -4.3(8) . . . . ?
N3 C29 C30 N4 -0.8(8) . . . . ?
N3 C31 C32 C33 177.8(5) . . . . ?
N3 C31 C32 C37 -2.5(8) . . . . ?
N3 C31 C36 C35 -176.5(5) . . . . ?
N3 C31 C36 C39 1.9(8) . . . . ?
N4 C40 C41 O1 -13.9(10) . . . . ?
N4 C40 C41 N5 166.5(6) . . . . ?
N5 C42 C43 O2 -67.5(10) . . . . ?
C1 N1 C2 C3 1.4(7) . . . . ?
C1 N1 C4 C5 -91.1(6) . . . . ?
C1 N1 C4 C9 86.8(6) . . . . ?
C1 N2 C3 C2 0.7(7) . . . . ?
C1 N2 C16 C17 100.7(6) . . . . ?
C1 N2 C16 C21 -77.9(7) . . . . ?
C2 N1 C1 Au2 177.4(4) . . . . ?
C2 N1 C1 N2 -1.0(6) . . . . ?
C2 N1 C4 C5 93.9(6) . . . . ?
C2 N1 C4 C9 -88.2(6) . . . . ?
C3 N2 C1 Au2 -178.2(4) . . . . ?
C3 N2 C1 N1 0.2(6) . . . . ?
C3 N2 C16 C17 -80.4(7) . . . . ?
C3 N2 C16 C21 101.0(6) . . . . ?
C4 N1 C1 Au2 1.8(8) . . . . ?
C4 N1 C1 N2 -176.5(5) . . . . ?
C4 N1 C2 C3 177.0(5) . . . . ?
C4 C5 C6 C7 -1.5(8) . . . . ?
C4 C5 C10 C11 -105.0(6) . . . . ?
C4 C5 C10 C12 132.1(7) . . . . ?
C4 C9 C13 C14 -110.2(6) . . . . ?
C4 C9 C13 C15 123.8(7) . . . . ?
C5 C4 C9 C8 0.5(8) . . . . ?
C5 C4 C9 C13 179.1(5) . . . . ?
C5 C6 C7 C8 1.1(9) . . . . ?
C6 C5 C10 C11 72.9(7) . . . . ?
C6 C5 C10 C12 -50.0(8) . . . . ?
C6 C7 C8 C9 0.2(8) . . . . ?
C7 C8 C9 C4 -0.9(8) . . . . ?
C7 C8 C9 C13 -179.5(5) . . . . ?
C8 C9 C13 C14 68.3(7) . . . . ?
C8 C9 C13 C15 -57.8(8) . . . . ?
C9 C4 C5 C6 0.6(8) . . . . ?
C9 C4 C5 C10 178.6(5) . . . . ?
C10 C5 C6 C7 -179.5(5) . . . . ?
C16 N2 C1 Au2 0.9(7) . . . . ?
C16 N2 C1 N1 179.3(5) . . . . ?
C16 N2 C3 C2 -178.4(5) . . . . ?
C16 C17 C18 C19 0.0(10) . . . . ?
C16 C17 C22 C23 -89.8(8) . . . . ?
C16 C17 C22 C24 147.7(8) . . . . ?
C16 C21 C25 C26 137.3(6) . . . . ?
C16 C21 C25 C27 -95.8(7) . . . . ?
C17 C16 C21 C20 0.2(9) . . . . ?
C17 C16 C21 C25 177.1(6) . . . . ?
C17 C18 C19 C20 -0.7(11) . . . . ?
C18 C17 C22 C23 88.3(8) . . . . ?
C18 C17 C22 C24 -34.2(11) . . . . ?
C18 C19 C20 C21 1.1(11) . . . . ?
C19 C20 C21 C16 -0.8(9) . . . . ?
C19 C20 C21 C25 -177.8(6) . . . . ?
C20 C21 C25 C26 -45.9(8) . . . . ?
C20 C21 C25 C27 80.9(7) . . . . ?
C21 C16 C17 C18 0.2(9) . . . . ?
C21 C16 C17 C22 178.5(6) . . . . ?
C22 C17 C18 C19 -178.2(7) . . . . ?
C28 N3 C29 C30 0.7(8) . . . . ?
C28 N3 C31 C32 80.8(7) . . . . ?
C28 N3 C31 C36 -101.0(7) . . . . ?
C28 N4 C30 C29 0.8(8) . . . . ?
C28 N4 C40 C41 94.4(7) . . . . ?
C29 N3 C28 Au2 176.8(4) . . . . ?
C29 N3 C28 N4 -0.2(6) . . . . ?
C29 N3 C31 C32 -102.5(7) . . . . ?
C29 N3 C31 C36 75.7(8) . . . . ?
C30 N4 C28 Au2 -177.3(5) . . . . ?
C30 N4 C28 N3 -0.3(7) . . . . ?
C30 N4 C40 C41 -76.9(8) . . . . ?
C31 N3 C28 Au2 -6.1(8) . . . . ?
C31 N3 C28 N4 177.0(5) . . . . ?
C31 N3 C29 C30 -176.5(6) . . . . ?
C31 C32 C33 C34 -1.0(9) . . . . ?
C32 C31 C36 C35 1.7(9) . . . . ?
C32 C31 C36 C39 -179.8(6) . . . . ?
C32 C33 C34 C35 1.0(10) . . . . ?
C32 C33 C34 C38 -179.3(7) . . . . ?
C33 C34 C35 C36 0.4(10) . . . . ?
C34 C35 C36 C31 -1.7(10) . . . . ?
C34 C35 C36 C39 179.9(6) . . . . ?
C36 C31 C32 C33 -0.4(9) . . . . ?
C36 C31 C32 C37 179.2(6) . . . . ?
C37 C32 C33 C34 179.4(6) . . . . ?
C38 C34 C35 C36 -179.4(7) . . . . ?
C40 N4 C28 Au2 10.4(8) . . . . ?
C40 N4 C28 N3 -172.6(5) . . . . ?
C40 N4 C30 C29 173.0(6) . . . . ?
C41 N5 C42 C43 124.0(9) . . . . ?
C42 N5 C41 O1 1.1(14) . . . . ?
C42 N5 C41 C40 -179.3(7) . . . . ?
C65A C60 C61 C62 168.7(11) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.500 0.000 0.000 159.4 0.0 ?
2 0.500 0.000 0.500 236.8 73.1 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_date_sample_data_collection 2020-06-29
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.688
_oxdiff_exptl_absorpt_empirical_full_min 0.571
####################################################################### 
# 
# 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_Complex4
_database_code_depnum_ccdc_archive 'CCDC 2062340'
loop_
_audit_author_name
_audit_author_address
'Vincent Lynch'
;University of Texas at Austin
United States of America
;
_audit_update_record             
;
2021-02-10 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;

_audit_creation_date             2020-07-24
# start Validation Reply Form
_vrf_PLAT342_au-amide1_syns      
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.03141 Ang.  
RESPONSE: The low bond precision is likely due to a combination of the presence of 
Au in the complex, a disordered hexafluorophosphate anion and several isopropyl 
groups. 
;
# end Validation Reply Form
_audit_creation_method           
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H36 N2, C18 H23 N3 O2, Au 1+, P F6 1-'
_chemical_formula_sum            'C45 H59 Au F6 N5 O2 P'
_chemical_formula_weight         1043.90
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Au N5 O2 C45 H62 P F6'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.3001(3)
_cell_length_b                   50.4909(13)
_cell_length_c                   17.6766(4)
_cell_angle_alpha                90
_cell_angle_beta                 100.564(2)
_cell_angle_gamma                90
_cell_volume                     9914.5(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    12634
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.5390
_cell_measurement_theta_min      3.5140
_shelx_estimated_absorpt_T_max   0.939
_shelx_estimated_absorpt_T_min   0.587
_exptl_absorpt_coefficient_mu    6.401
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72943
_exptl_absorpt_correction_type   'gaussian and multi-scan'
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.70a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             4224
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -2 1 0.0059
0 2 -1 0.0039
-1 -1 0 0.0614
1 1 0 0.0242
0 5 1 0.0020
0 -5 -1 0.0080

_exptl_crystal_size_max          0.093
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0007 -2.0034 0.9995 0.1065 0.0033 0.0144
0.0007 2.0034 -0.9995 -0.1065 -0.0033 -0.0144
-1.0003 -0.9981 -0.0003 0.0156 -0.0061 -0.1411
1.0003 0.9981 0.0003 -0.0156 0.0061 0.1411
0.0007 4.9992 1.0007 -0.0158 -0.1673 0.0545
-0.0007 -4.9992 -1.0007 0.0158 0.1673 -0.0545

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0781
_diffrn_reflns_av_unetI/netI     0.1061
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       60
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            56285
_diffrn_reflns_point_group_measured_fraction_full 0.797
_diffrn_reflns_point_group_measured_fraction_max 0.797
_diffrn_reflns_theta_full        67.073
_diffrn_reflns_theta_max         67.073
_diffrn_reflns_theta_min         2.543
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -42.00  13.00   0.50    8.00    --  -47.95  37.00  90.00  110
  2  ω    -29.00  28.00   0.50    8.00    --  -47.95  19.00 -30.00  114
  3  ω    -34.00  22.00   0.50    8.00    --  -47.95  37.00  30.00  112
  4  ω    -20.00  24.00   0.50    8.00    --   47.95 -19.00 -90.00   88
  5  ω      7.00  46.00   0.50    8.00    --   47.95 -99.00-150.00   78
  6  ω    -63.00 -37.00   0.50   32.00    --  -91.75  57.00-180.00   52
  7  ω    -84.00 -20.00   0.50   32.00    --  -91.75 125.00 -90.00  128
  8  ω    -68.00 -26.00   0.50   32.00    --  -91.75 125.00-150.00   84
  9  ω   -131.00-103.00   0.50   32.00    --  -91.75 -57.00 -30.00   56
 10  ω     38.00  65.00   0.50   32.00    --  107.11 -57.00-120.00   54
 11  ω     72.00 103.00   0.50   32.00    --  107.11 -99.00  90.00   62
 12  ω    102.00 162.00   0.50   32.00    --  107.11  57.00  90.00  120
 13  ω     35.00  93.00   0.50   32.00    --  107.11 -77.00   0.00  116
 14  ω     71.00  97.00   0.50   32.00    --  107.11 -99.00   0.00   52
 15  ω     40.00  66.00   0.50   32.00    --  107.11 -57.00-150.00   52
 16  ω     49.00  96.00   0.50   32.00    --  107.11 -77.00  30.00   94
 17  ω    113.00 155.00   0.50   32.00    --  107.11  37.00  60.00   84
 18  ω     36.00 110.00   0.50   32.00    --  107.11-125.00-180.00  148
 19  ω     88.00 168.00   0.50   32.00    --  107.11  77.00  60.00  160
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0018401000
_diffrn_orient_matrix_UB_12      -0.0174691000
_diffrn_orient_matrix_UB_13      0.0715265000
_diffrn_orient_matrix_UB_21      0.0304122000
_diffrn_orient_matrix_UB_22      -0.0243533000
_diffrn_orient_matrix_UB_23      -0.0454947000
_diffrn_orient_matrix_UB_31      0.1353826000
_diffrn_orient_matrix_UB_32      0.0056943000
_diffrn_orient_matrix_UB_33      0.0258912000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.591
_reflns_Friedel_fraction_full    0.600
_reflns_Friedel_fraction_max     0.600
_reflns_number_gt                20082
_reflns_number_total             28213
_reflns_odcompleteness_completeness 99.40
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.67a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.67a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.67a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT n/a (Sheldrick, 2015)'
_refine_diff_density_max         1.643
_refine_diff_density_min         -1.715
_refine_diff_density_rms         0.130
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.465(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2345
_refine_ls_number_reflns         28213
_refine_ls_number_restraints     4029
_refine_ls_R_factor_all          0.0922
_refine_ls_R_factor_gt           0.0615
_refine_ls_restrained_S_all      0.980
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0605P)²+14.3210P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1375
_refine_ls_wR_factor_ref         0.1499
_refine_special_details          
'One of the hexafluorophosphate anions was disordered about two orientations involving all seven atoms.  Also, one of the morpholine groups was disordered.  The disorder was modeled using features found in OLEX2.'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.535(13)
 0.465(13)
2. 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
3. Restrained distances
 P4-F19 = P4-F20 = P4-F21 = P4-F22 = P4-F23 = P4-F24
 1.58 with sigma of 0.02
 F19-F21 = F19-F22 = F19-F23 = F19-F24
 2.33 with sigma of 0.02
 F20-F21 = F20-F22 = F20-F23 = F20-F24 = F21-F22 = F21-F24 = F22-F23 = F23-F24
 2.33 with sigma of 0.02
 C68-C62
 2.5 with sigma of 0.02
 C69-C62
 2.5 with sigma of 0.02
 C67-C68 = C67-C69
 1.5 with sigma of 0.02
 C231-C230
 1.5 with sigma of 0.02
 C130-C131
 1.5 with sigma of 0.02
 C231-O5A
 1.2 with sigma of 0.02
 O5-C131
 1.2 with sigma of 0.02
 N15A-C231
 1.35 with sigma of 0.02
 N15-C131
 1.35 with sigma of 0.02
 C235-N15A
 1.47 with sigma of 0.02
 C232-N15A
 1.47 with sigma of 0.02
 N15-C132
 1.47 with sigma of 0.02
 C135-N15
 1.47 with sigma of 0.02
 C234-C235
 1.49 with sigma of 0.02
 C135-C134
 1.49 with sigma of 0.02
 C133-C132
 1.49 with sigma of 0.02
 C232-C233
 1.49 with sigma of 0.02
 O6-C133
 1.42 with sigma of 0.02
 O6-C134
 1.42 with sigma of 0.02
 C234-O6A
 1.42 with sigma of 0.02
 O6A-C233
 1.42 with sigma of 0.02
 C134-C133
 2.33 with sigma of 0.02
 C233-C234
 2.33 with sigma of 0.02
 C232-C235
 2.44 with sigma of 0.02
 C132-C135
 2.44 with sigma of 0.02
 N15-O6
 2.8 with sigma of 0.02
 N15A-O6A
 2.8 with sigma of 0.02
 C133-C135
 2.8 with sigma of 0.02
 C233-C235
 2.8 with sigma of 0.02
 C132-C134
 2.8 with sigma of 0.02
 C234-C232
 2.8 with sigma of 0.02
 C231-C235
 2.47 with sigma of 0.02
 C232-C231
 2.47 with sigma of 0.02
 C131-C132
 2.47 with sigma of 0.02
 C131-C135
 2.47 with sigma of 0.02
 P4-F19 \\sim P4A-F23A
 with sigma of 0.02
 P4-F21 \\sim P4A-F24A
 with sigma of 0.02
 P4-F23 \\sim P4A-F19A
 with sigma of 0.02
 P4-F24 \\sim P4A-F21A
 with sigma of 0.02
 P4-F19 \\sim P4A-F19A
 with sigma of 0.02
 P4-F20 \\sim P4A-F20A
 with sigma of 0.02
 P4-F21 \\sim P4A-F21A
 with sigma of 0.02
 P4-F22 \\sim P4A-F22A
 with sigma of 0.02
 P4-F23 \\sim P4A-F23A
 with sigma of 0.02
 P4-F24 \\sim P4A-F24A
 with sigma of 0.02
 O5-C131 \\sim O5A-C231
 with sigma of 0.02
 O6-C133 \\sim O6A-C233
 with sigma of 0.02
 O6-C134 \\sim O6A-C234
 with sigma of 0.02
 N14-C130 \\sim N14-C230
 with sigma of 0.02
 N15-C131 \\sim N15A-C231
 with sigma of 0.02
 N15-C132 \\sim N15A-C232
 with sigma of 0.02
 N15-C135 \\sim N15A-C235
 with sigma of 0.02
 C130-C131 \\sim C230-C231
 with sigma of 0.02
 C132-C133 \\sim C232-C233
 with sigma of 0.02
 C134-C135 \\sim C234-C235
 with sigma of 0.02
 O5-N15 \\sim O5A-N15A
 with sigma of 0.04
 O5-C130 \\sim O5A-C230
 with sigma of 0.04
 O6-C132 \\sim O6A-C232
 with sigma of 0.04
 O6-C135 \\sim O6A-C235
 with sigma of 0.04
 N14-C131 \\sim N14-C231
 with sigma of 0.04
 N15-C130 \\sim N15A-C230
 with sigma of 0.04
 N15-C133 \\sim N15A-C233
 with sigma of 0.04
 N15-C134 \\sim N15A-C234
 with sigma of 0.04
 C131-C132 \\sim C231-C232
 with sigma of 0.04
 C131-C135 \\sim C231-C235
 with sigma of 0.04
 C132-C135 \\sim C232-C235
 with sigma of 0.04
 C133-C134 \\sim C233-C234
 with sigma of 0.04
4. Uiso/Uaniso restraints and constraints
F19 \\sim F20 \\sim F21 \\sim F22 \\sim F23 \\sim F24 \\sim F19A \\sim F20A
\\sim F21A \\sim F22A \\sim F23A \\sim F24A: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
O5A \\sim C231 \\sim C230 \\sim C130 \\sim C131 \\sim O5 \\sim N15A \\sim N15
\\sim C235 \\sim C135 \\sim C134 \\sim C234 \\sim O6 \\sim O6A \\sim C233 \\sim
C133 \\sim C132 \\sim C232: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(P4) = Uanis(P4A)
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(P4A)=Sof(F19A)=Sof(F20A)=Sof(F21A)=Sof(F22A)=Sof(F23A)=Sof(F24A)=1-FVAR(1)
 Sof(P4)=Sof(F19)=Sof(F20)=Sof(F21)=Sof(F22)=Sof(F23)=Sof(F24)=FVAR(1)
 Sof(C230)=Sof(H23A)=Sof(H23B)=Sof(C231)=Sof(O5A)=Sof(N15A)=Sof(C232)=
 Sof(H23C)=Sof(H23D)=Sof(C233)=Sof(H23E)=Sof(H23F)=Sof(C235)=Sof(H23G)=
 Sof(H23H)=Sof(C234)=Sof(H23I)=Sof(H23J)=Sof(O6A)=1-FVAR(2)
 Sof(O5)=Sof(O6)=Sof(N15)=Sof(C130)=Sof(H13A)=Sof(H13B)=Sof(C131)=Sof(C132)=
 Sof(H13C)=Sof(H13D)=Sof(C133)=Sof(H13E)=Sof(H13F)=Sof(C134)=Sof(H13G)=
 Sof(H13H)=Sof(C135)=Sof(H13I)=Sof(H13J)=FVAR(2)
 Fixed Y: Au1(0.490749)
7.a Ternary CH refined with riding coordinates:
 C10(H10), C13(H13), C22(H22), C25(H25), C100(H100), C103(H103), C112(H112),
 C115(H115), C55(H55), C58(H58), C67(H67), C70(H70), C145(H145), C148(H148),
 C157(H157), C160(H160)
7.b Secondary CH2 refined with riding coordinates:
 C40(H40A,H40B), C42(H42A,H42B), C43(H43A,H43B), C44(H44A,H44B), C45(H45A,
 H45B), C130(H13A,H13B), C132(H13C,H13D), C133(H13E,H13F), C134(H13G,H13H),
 C135(H13I,H13J), C85(H85A,H85B), C87(H87A,H87B), C88(H88A,H88B), C89(H89A,
 H89B), C90(H90A,H90B), C175(H17J,H17K), C177(H17L,H17M), C178(H17N,H17O),
 C179(H17P,H17Q), C180(H18A,H18B), C230(H23A,H23B), C232(H23C,H23D), C233(H23E,
 H23F), C235(H23G,H23H), C234(H23I,H23J)
7.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C7(H7), C8(H8), C18(H18), C19(H19), C20(H20),
 C29(H29), C30(H30), C33(H33), C35(H35), C92(H92), C93(H93), C96(H96), C97(H97),
  C98(H98), C108(H108), C109(H109), C110(H110), C119(H119), C120(H120),
 C123(H123), C125(H125), C47(H47), C48(H48), C51(H51), C52(H52), C53(H53),
 C63(H63), C64(H64), C65(H65), C74(H74), C75(H75), C78(H78), C80(H80),
 C137(H137), C138(H138), C141(H141), C142(H142), C143(H143), C153(H153),
 C154(H154), C155(H155), C164(H164), C165(H165), C168(H168), C170(H170)
7.d Idealised Me refined as rotating group:
 C11(H11M,H11N,H11O), C12(H12J,H12K,H12L), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C), C23(H23K,H23L,H23M), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C),
 C101(H10A,H10B,H10C), C102(H10D,H10E,H10F), C104(H10G,H10H,H10I), C105(H10J,
 H10K,H10L), C113(H11A,H11B,H11C), C114(H11D,H11E,H11F), C116(H11G,H11H,H11I),
 C117(H11J,H11K,H11L), C127(H12A,H12B,H12C), C128(H12D,H12E,H12F), C129(H12G,
 H12H,H12I), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C), C59(H59A,H59B,H59C),
 C60(H60A,H60B,H60C), C71(H71A,H71B,H71C), C72(H72A,H72B,H72C), C82(H82A,H82B,
 H82C), C83(H83A,H83B,H83C), C84(H84A,H84B,H84C), C146(H14D,H14E,H14F),
 C147(H14G,H14H,H14I), C149(H14J,H14K,H14L), C150(H15D,H15E,H15F), C158(H15G,
 H15H,H15I), C159(H15J,H15K,H15L), C161(H16A,H16B,H16C), C162(H16D,H16E,H16F),
 C172(H17A,H17B,H17C), C173(H17D,H17E,H17F), C174(H17G,H17H,H17I), C68(H68A,
 H68B,H68C), C69(H69A,H69B,H69C)
;
_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 0.56790(6) 0.490749 0.71118(4) 0.03206(17) Uani 1 1 d . U . . .
O1 O 0.534(2) 0.5562(4) 0.8210(11) 0.095(6) Uani 1 1 d . U . . .
O2 O 0.7205(19) 0.6352(4) 0.7664(13) 0.100(6) Uani 1 1 d . U . . .
N1 N 0.7176(13) 0.4427(3) 0.6868(8) 0.030(3) Uani 1 1 d . U . . .
N2 N 0.8247(13) 0.4783(3) 0.6965(9) 0.035(3) Uani 1 1 d . U . . .
N3 N 0.3203(14) 0.5036(3) 0.7432(9) 0.043(3) Uani 1 1 d . U . . .
N4 N 0.3938(17) 0.5369(4) 0.6960(11) 0.051(4) Uani 1 1 d . U . . .
N5 N 0.6437(19) 0.5817(4) 0.7543(11) 0.069(5) Uani 1 1 d . U . . .
C1 C 0.7061(16) 0.4703(4) 0.6984(9) 0.030(3) Uani 1 1 d . U . . .
C2 C 0.8333(16) 0.4344(4) 0.6824(11) 0.042(4) Uani 1 1 d . U . . .
H2 H 0.859297 0.416838 0.675340 0.050 Uiso 1 1 calc R U . . .
C3 C 0.9019(18) 0.4569(4) 0.6906(12) 0.043(4) Uani 1 1 d . U . . .
H3 H 0.986243 0.457945 0.691970 0.051 Uiso 1 1 calc R U . . .
C4 C 0.6167(16) 0.4249(4) 0.6904(10) 0.031(3) Uani 1 1 d . U . . .
C5 C 0.6024(17) 0.4160(4) 0.7646(10) 0.031(4) Uani 1 1 d . U . . .
C6 C 0.5049(19) 0.3997(4) 0.7673(12) 0.044(4) Uani 1 1 d . U . . .
H6 H 0.491106 0.393216 0.815391 0.053 Uiso 1 1 calc R U . . .
C7 C 0.4266(17) 0.3927(4) 0.6995(11) 0.039(4) Uani 1 1 d . U . . .
H7 H 0.356725 0.382555 0.701824 0.047 Uiso 1 1 calc R U . . .
C8 C 0.4504(17) 0.4006(4) 0.6297(11) 0.044(4) Uani 1 1 d . U . . .
H8 H 0.401259 0.393889 0.584328 0.053 Uiso 1 1 calc R U . . .
C9 C 0.5424(17) 0.4177(4) 0.6225(10) 0.036(4) Uani 1 1 d . U . . .
C10 C 0.6873(17) 0.4238(4) 0.8368(10) 0.034(4) Uani 1 1 d . U . . .
H10 H 0.753581 0.434255 0.820526 0.041 Uiso 1 1 calc R U . . .
C11 C 0.747(2) 0.3986(4) 0.8813(11) 0.052(5) Uani 1 1 d . U . . .
H11M H 0.774756 0.403037 0.935639 0.079 Uiso 1 1 calc R U . . .
H11N H 0.816086 0.392903 0.858728 0.079 Uiso 1 1 calc R U . . .
H11O H 0.688065 0.384237 0.877056 0.079 Uiso 1 1 calc R U . . .
C12 C 0.629(2) 0.4414(5) 0.8867(12) 0.055(6) Uani 1 1 d . U . . .
H12J H 0.563053 0.431933 0.903525 0.083 Uiso 1 1 calc R U . . .
H12K H 0.597952 0.457237 0.857701 0.083 Uiso 1 1 calc R U . . .
H12L H 0.688821 0.446651 0.931763 0.083 Uiso 1 1 calc R U . . .
C13 C 0.566(2) 0.4260(4) 0.5428(11) 0.044(4) Uani 1 1 d . U . . .
H13 H 0.618050 0.442248 0.549506 0.053 Uiso 1 1 calc R U . . .
C14 C 0.451(2) 0.4326(5) 0.4875(12) 0.059(6) Uani 1 1 d . U . . .
H14A H 0.469757 0.442492 0.443592 0.089 Uiso 1 1 calc R U . . .
H14B H 0.398881 0.443389 0.514063 0.089 Uiso 1 1 calc R U . . .
H14C H 0.408885 0.416166 0.469295 0.089 Uiso 1 1 calc R U . . .
C15 C 0.6342(18) 0.4043(4) 0.5100(10) 0.042(4) Uani 1 1 d . U . . .
H15A H 0.586206 0.388030 0.504808 0.063 Uiso 1 1 calc R U . . .
H15B H 0.711107 0.401126 0.544666 0.063 Uiso 1 1 calc R U . . .
H15C H 0.649330 0.409707 0.459397 0.063 Uiso 1 1 calc R U . . .
C16 C 0.8628(16) 0.5046(4) 0.7119(10) 0.036(4) Uani 1 1 d . U . . .
C17 C 0.8976(17) 0.5134(4) 0.7869(10) 0.035(4) Uani 1 1 d . U . . .
C18 C 0.9427(16) 0.5389(4) 0.8006(11) 0.039(4) Uani 1 1 d . U . . .
H18 H 0.966972 0.544920 0.852015 0.047 Uiso 1 1 calc R U . . .
C19 C 0.9527(19) 0.5558(4) 0.7401(12) 0.050(5) Uani 1 1 d . U . . .
H19 H 0.982151 0.573296 0.750457 0.060 Uiso 1 1 calc R U . . .
C20 C 0.920(2) 0.5474(5) 0.6656(13) 0.057(5) Uani 1 1 d . U . . .
H20 H 0.929571 0.558928 0.624687 0.069 Uiso 1 1 calc R U . . .
C21 C 0.8731(18) 0.5217(4) 0.6486(11) 0.047(4) Uani 1 1 d . U . . .
C22 C 0.8849(16) 0.4956(4) 0.8540(9) 0.037(4) Uani 1 1 d . U . . .
H22 H 0.838808 0.479499 0.832787 0.044 Uiso 1 1 calc R U . . .
C23 C 1.0119(19) 0.4866(5) 0.8932(11) 0.061(6) Uani 1 1 d . U . . .
H23K H 1.056851 0.480568 0.853935 0.092 Uiso 1 1 calc R U . . .
H23L H 1.005145 0.471992 0.928748 0.092 Uiso 1 1 calc R U . . .
H23M H 1.054465 0.501436 0.921780 0.092 Uiso 1 1 calc R U . . .
C24 C 0.816(2) 0.5087(5) 0.9109(10) 0.058(6) Uani 1 1 d . U . . .
H24A H 0.818528 0.497236 0.955864 0.088 Uiso 1 1 calc R U . . .
H24B H 0.732153 0.511562 0.885945 0.088 Uiso 1 1 calc R U . . .
H24C H 0.853352 0.525800 0.927375 0.088 Uiso 1 1 calc R U . . .
C25 C 0.833(2) 0.5129(5) 0.5629(12) 0.061(5) Uani 1 1 d . U . . .
H25 H 0.792765 0.495207 0.561741 0.073 Uiso 1 1 calc R U . . .
C26 C 0.742(2) 0.5330(7) 0.5214(15) 0.087(8) Uani 1 1 d . U . . .
H26A H 0.684628 0.537637 0.554328 0.131 Uiso 1 1 calc R U . . .
H26B H 0.699502 0.525247 0.473268 0.131 Uiso 1 1 calc R U . . .
H26C H 0.785237 0.548949 0.509954 0.131 Uiso 1 1 calc R U . . .
C27 C 0.941(2) 0.5106(6) 0.5239(13) 0.072(6) Uani 1 1 d . U . . .
H27A H 0.976867 0.528177 0.521090 0.108 Uiso 1 1 calc R U . . .
H27B H 0.915188 0.503617 0.471758 0.108 Uiso 1 1 calc R U . . .
H27C H 1.000077 0.498670 0.553477 0.108 Uiso 1 1 calc R U . . .
C28 C 0.423(2) 0.5123(4) 0.7193(12) 0.049(4) Uani 1 1 d . U . . .
C29 C 0.230(2) 0.5229(5) 0.7343(14) 0.055(5) Uani 1 1 d . U . . .
H29 H 0.152180 0.521488 0.746930 0.067 Uiso 1 1 calc R U . . .
C30 C 0.277(2) 0.5432(5) 0.7051(13) 0.056(5) Uani 1 1 d . U . . .
H30 H 0.237251 0.559634 0.692039 0.067 Uiso 1 1 calc R U . . .
C31 C 0.3086(17) 0.4795(4) 0.7845(11) 0.043(4) Uani 1 1 d . U . . .
C32 C 0.2614(18) 0.4563(5) 0.7437(12) 0.045(4) Uani 1 1 d . U . . .
C33 C 0.2425(19) 0.4348(5) 0.7850(12) 0.049(4) Uani 1 1 d . U . . .
H33 H 0.212612 0.419301 0.757424 0.059 Uiso 1 1 calc R U . . .
C34 C 0.2630(18) 0.4336(4) 0.8633(11) 0.046(4) Uani 1 1 d . U . . .
C35 C 0.3062(18) 0.4568(4) 0.9031(12) 0.049(4) Uani 1 1 d . U . . .
H35 H 0.317825 0.456950 0.957720 0.059 Uiso 1 1 calc R U . . .
C36 C 0.3323(18) 0.4795(4) 0.8645(12) 0.047(4) Uani 1 1 d . U . . .
C37 C 0.240(2) 0.4563(5) 0.6573(12) 0.060(6) Uani 1 1 d . U . . .
H37A H 0.316857 0.454343 0.639792 0.090 Uiso 1 1 calc R U . . .
H37B H 0.202094 0.473067 0.637945 0.090 Uiso 1 1 calc R U . . .
H37C H 0.186705 0.441558 0.637684 0.090 Uiso 1 1 calc R U . . .
C38 C 0.236(2) 0.4088(5) 0.9070(13) 0.064(6) Uani 1 1 d . U . . .
H38A H 0.189599 0.396222 0.870844 0.096 Uiso 1 1 calc R U . . .
H38B H 0.188167 0.413803 0.946000 0.096 Uiso 1 1 calc R U . . .
H38C H 0.311126 0.400601 0.932069 0.096 Uiso 1 1 calc R U . . .
C39 C 0.378(2) 0.5045(5) 0.9048(12) 0.059(6) Uani 1 1 d . U . . .
H39A H 0.449598 0.510552 0.885523 0.089 Uiso 1 1 calc R U . . .
H39B H 0.399415 0.501235 0.960225 0.089 Uiso 1 1 calc R U . . .
H39C H 0.315576 0.518171 0.894898 0.089 Uiso 1 1 calc R U . . .
C40 C 0.4847(19) 0.5544(4) 0.6806(12) 0.052(4) Uani 1 1 d . U . . .
H40A H 0.447575 0.569584 0.649410 0.062 Uiso 1 1 calc R U . . .
H40B H 0.538555 0.545089 0.651135 0.062 Uiso 1 1 calc R U . . .
C41 C 0.559(2) 0.5647(5) 0.7597(14) 0.063(5) Uani 1 1 d . U . . .
C42 C 0.669(2) 0.5946(5) 0.6858(14) 0.068(5) Uani 1 1 d . U . . .
H42A H 0.614474 0.587859 0.639496 0.081 Uiso 1 1 calc R U . . .
H42B H 0.753208 0.591081 0.679978 0.081 Uiso 1 1 calc R U . . .
C43 C 0.649(2) 0.6245(6) 0.6956(17) 0.081(6) Uani 1 1 d . U . . .
H43A H 0.670764 0.634083 0.651093 0.097 Uiso 1 1 calc R U . . .
H43B H 0.563001 0.627790 0.695743 0.097 Uiso 1 1 calc R U . . .
C44 C 0.697(3) 0.6220(6) 0.8307(18) 0.095(7) Uani 1 1 d . U . . .
H44A H 0.611872 0.625188 0.835680 0.114 Uiso 1 1 calc R U . . .
H44B H 0.749151 0.629011 0.877321 0.114 Uiso 1 1 calc R U . . .
C45 C 0.717(2) 0.5935(5) 0.8249(15) 0.078(6) Uani 1 1 d . U . . .
H45A H 0.696181 0.584537 0.870709 0.093 Uiso 1 1 calc R U . . .
H45B H 0.803124 0.590239 0.824797 0.093 Uiso 1 1 calc R U . . .
Au3 Au 0.11757(7) 0.74853(2) 0.74132(4) 0.0375(2) Uani 1 1 d . U . . .
O5 O 0.170(10) 0.6902(17) 0.839(5) 0.098(9) Uani 0.195(17) 1 d D U P A 1
O6 O 0.185(8) 0.5975(11) 0.770(5) 0.095(5) Uani 0.195(17) 1 d D U P A 1
N11 N 0.2576(14) 0.7980(3) 0.7173(9) 0.036(3) Uani 1 1 d . U . . .
N12 N 0.3703(14) 0.7633(3) 0.7222(9) 0.039(3) Uani 1 1 d . U . . .
N13 N -0.1230(16) 0.7325(4) 0.7825(11) 0.058(4) Uani 1 1 d . U . . .
N14 N -0.0398(19) 0.6995(4) 0.7355(12) 0.066(4) Uani 1 1 d D U . . .
N15 N 0.199(9) 0.6528(11) 0.775(4) 0.094(5) Uani 0.195(17) 1 d D U P A 1
C91 C 0.2590(18) 0.7708(4) 0.7256(10) 0.037(4) Uani 1 1 d . U . . .
C92 C 0.3741(18) 0.8053(5) 0.7085(11) 0.046(4) Uani 1 1 d . U . . .
H92 H 0.399340 0.822850 0.700447 0.056 Uiso 1 1 calc R U . . .
C93 C 0.4416(19) 0.7846(4) 0.7130(10) 0.040(4) Uani 1 1 d . U . . .
H93 H 0.524849 0.784132 0.710394 0.048 Uiso 1 1 calc R U . . .
C94 C 0.1588(16) 0.8148(4) 0.7215(10) 0.035(4) Uani 1 1 d . U . . .
C95 C 0.1455(18) 0.8238(4) 0.7916(11) 0.038(4) Uani 1 1 d . U . . .
C96 C 0.0444(17) 0.8388(4) 0.7968(11) 0.039(4) Uani 1 1 d . U . . .
H96 H 0.030217 0.844144 0.845885 0.047 Uiso 1 1 calc R U . . .
C97 C -0.036(2) 0.8462(5) 0.7318(13) 0.050(5) Uani 1 1 d . U . . .
H97 H -0.102225 0.857146 0.736112 0.060 Uiso 1 1 calc R U . . .
C98 C -0.0187(17) 0.8374(4) 0.6597(12) 0.043(4) Uani 1 1 d . U . . .
H98 H -0.074674 0.842234 0.614858 0.052 Uiso 1 1 calc R U . . .
C99 C 0.0813(18) 0.8215(4) 0.6535(12) 0.039(4) Uani 1 1 d . U . . .
C100 C 0.2375(19) 0.8165(4) 0.8678(11) 0.045(4) Uani 1 1 d . U . . .
H100 H 0.304077 0.805973 0.852301 0.054 Uiso 1 1 calc R U . . .
C101 C 0.291(2) 0.8403(5) 0.9076(12) 0.061(6) Uani 1 1 d . U . . .
H10A H 0.326689 0.851274 0.871712 0.091 Uiso 1 1 calc R U . . .
H10B H 0.354199 0.835168 0.950970 0.091 Uiso 1 1 calc R U . . .
H10C H 0.229018 0.850497 0.926777 0.091 Uiso 1 1 calc R U . . .
C102 C 0.1691(19) 0.7979(5) 0.9153(12) 0.052(5) Uani 1 1 d . U . . .
H10D H 0.099961 0.807331 0.928712 0.078 Uiso 1 1 calc R U . . .
H10E H 0.223391 0.792459 0.962547 0.078 Uiso 1 1 calc R U . . .
H10F H 0.140852 0.782195 0.884709 0.078 Uiso 1 1 calc R U . . .
C103 C 0.1022(19) 0.8128(4) 0.5756(11) 0.042(4) Uani 1 1 d . U . . .
H103 H 0.152492 0.796411 0.582540 0.051 Uiso 1 1 calc R U . . .
C104 C -0.014(2) 0.8065(5) 0.5208(11) 0.059(6) Uani 1 1 d . U . . .
H10G H -0.057268 0.792454 0.542839 0.088 Uiso 1 1 calc R U . . .
H10H H 0.003938 0.800549 0.471384 0.088 Uiso 1 1 calc R U . . .
H10I H -0.064754 0.822402 0.512694 0.088 Uiso 1 1 calc R U . . .
C105 C 0.173(2) 0.8346(5) 0.5404(14) 0.067(6) Uani 1 1 d . U . . .
H10J H 0.124531 0.850678 0.531229 0.100 Uiso 1 1 calc R U . . .
H10K H 0.192380 0.828229 0.491573 0.100 Uiso 1 1 calc R U . . .
H10L H 0.248391 0.838503 0.576215 0.100 Uiso 1 1 calc R U . . .
C106 C 0.4116(18) 0.7361(4) 0.7346(12) 0.048(4) Uani 1 1 d . U . . .
C107 C 0.4490(18) 0.7279(4) 0.8101(12) 0.047(4) Uani 1 1 d . U . . .
C108 C 0.492(2) 0.7018(5) 0.8220(14) 0.064(5) Uani 1 1 d . U . . .
H108 H 0.510817 0.694908 0.872759 0.077 Uiso 1 1 calc R U . . .
C109 C 0.507(2) 0.6862(6) 0.7608(15) 0.077(6) Uani 1 1 d . U . . .
H109 H 0.544722 0.669401 0.769550 0.092 Uiso 1 1 calc R U . . .
C110 C 0.467(2) 0.6947(5) 0.6885(14) 0.065(6) Uani 1 1 d . U . . .
H110 H 0.466846 0.682755 0.646946 0.078 Uiso 1 1 calc R U . . .
C111 C 0.425(2) 0.7205(5) 0.6725(14) 0.062(5) Uani 1 1 d . U . . .
C112 C 0.4455(17) 0.7452(6) 0.8807(11) 0.052(4) Uani 1 1 d . U . . .
H112 H 0.402329 0.761795 0.861002 0.063 Uiso 1 1 calc R U . . .
C113 C 0.5702(18) 0.7535(5) 0.9182(12) 0.057(6) Uani 1 1 d . U . . .
H11A H 0.616555 0.737798 0.938712 0.086 Uiso 1 1 calc R U . . .
H11B H 0.565406 0.765815 0.960259 0.086 Uiso 1 1 calc R U . . .
H11C H 0.610137 0.762131 0.880088 0.086 Uiso 1 1 calc R U . . .
C114 C 0.374(2) 0.7332(5) 0.9373(13) 0.067(6) Uani 1 1 d . U . . .
H11D H 0.295288 0.727435 0.909550 0.101 Uiso 1 1 calc R U . . .
H11E H 0.363374 0.746532 0.975756 0.101 Uiso 1 1 calc R U . . .
H11F H 0.418001 0.717986 0.962932 0.101 Uiso 1 1 calc R U . . .
C115 C 0.374(2) 0.7292(6) 0.5902(14) 0.077(6) Uani 1 1 d . U . . .
H115 H 0.332981 0.746761 0.591918 0.092 Uiso 1 1 calc R U . . .
C116 C 0.281(3) 0.7089(7) 0.5458(17) 0.095(8) Uani 1 1 d . U . . .
H11G H 0.273404 0.711688 0.490273 0.143 Uiso 1 1 calc R U . . .
H11H H 0.202529 0.711369 0.560781 0.143 Uiso 1 1 calc R U . . .
H11I H 0.309574 0.690787 0.558665 0.143 Uiso 1 1 calc R U . . .
C117 C 0.482(3) 0.7326(7) 0.5466(16) 0.093(8) Uani 1 1 d . U . . .
H11J H 0.519751 0.715252 0.541925 0.140 Uiso 1 1 calc R U . . .
H11K H 0.542045 0.744622 0.575563 0.140 Uiso 1 1 calc R U . . .
H11L H 0.453200 0.739840 0.495204 0.140 Uiso 1 1 calc R U . . .
C118 C -0.020(2) 0.7262(4) 0.7543(11) 0.049(4) Uani 1 1 d . U . . .
C119 C -0.148(3) 0.6911(6) 0.7492(16) 0.078(6) Uani 1 1 d . U . . .
H119 H -0.180611 0.673826 0.739344 0.094 Uiso 1 1 calc R U . . .
C120 C -0.198(3) 0.7105(6) 0.7781(18) 0.084(6) Uani 1 1 d . U . . .
H120 H -0.274262 0.710008 0.793720 0.100 Uiso 1 1 calc R U . . .
C121 C -0.139(2) 0.7570(5) 0.8197(13) 0.056(4) Uani 1 1 d . U . . .
C122 C -0.110(2) 0.7569(5) 0.8984(13) 0.056(5) Uani 1 1 d . U . . .
C123 C -0.1275(19) 0.7808(5) 0.9367(13) 0.055(5) Uani 1 1 d . U . . .
H123 H -0.102469 0.782281 0.990811 0.066 Uiso 1 1 calc R U . . .
C124 C -0.183(2) 0.8027(5) 0.8926(13) 0.057(5) Uani 1 1 d . U . . .
C125 C -0.2106(19) 0.8009(5) 0.8147(13) 0.055(5) Uani 1 1 d . U . . .
H125 H -0.246797 0.815733 0.786323 0.066 Uiso 1 1 calc R U . . .
C126 C -0.189(2) 0.7790(5) 0.7760(13) 0.052(4) Uani 1 1 d . U . . .
C127 C -0.048(2) 0.7355(5) 0.9448(13) 0.069(6) Uani 1 1 d . U . . .
H12A H -0.021992 0.741681 0.997751 0.104 Uiso 1 1 calc R U . . .
H12B H 0.021731 0.729982 0.923347 0.104 Uiso 1 1 calc R U . . .
H12C H -0.103318 0.720465 0.944493 0.104 Uiso 1 1 calc R U . . .
C128 C -0.206(3) 0.8275(6) 0.9361(16) 0.083(8) Uani 1 1 d . U . . .
H12D H -0.129811 0.834222 0.965276 0.124 Uiso 1 1 calc R U . . .
H12E H -0.260650 0.823354 0.971666 0.124 Uiso 1 1 calc R U . . .
H12F H -0.242975 0.841092 0.899535 0.124 Uiso 1 1 calc R U . . .
C129 C -0.219(2) 0.7776(6) 0.6897(13) 0.067(6) Uani 1 1 d . U . . .
H12G H -0.145568 0.773420 0.669510 0.101 Uiso 1 1 calc R U . . .
H12H H -0.250744 0.794674 0.669105 0.101 Uiso 1 1 calc R U . . .
H12I H -0.278873 0.763727 0.674180 0.101 Uiso 1 1 calc R U . . .
C130 C 0.068(8) 0.687(3) 0.709(4) 0.089(5) Uani 0.195(17) 1 d D U P A 1
H13A H 0.106340 0.700452 0.679913 0.107 Uiso 0.195(17) 1 calc R U P A 1
H13B H 0.042553 0.671971 0.675276 0.107 Uiso 0.195(17) 1 calc R U P A 1
C131 C 0.159(6) 0.6782(14) 0.779(5) 0.092(5) Uani 0.195(17) 1 d D U P A 1
C132 C 0.188(12) 0.6390(13) 0.701(4) 0.094(5) Uani 0.195(17) 1 d D U P A 1
H13C H 0.268396 0.638557 0.686458 0.113 Uiso 0.195(17) 1 calc R U P A 1
H13D H 0.134155 0.649403 0.661603 0.113 Uiso 0.195(17) 1 calc R U P A 1
C133 C 0.141(11) 0.6114(16) 0.700(4) 0.094(6) Uani 0.195(17) 1 d D U P A 1
H13E H 0.052107 0.611923 0.692163 0.113 Uiso 0.195(17) 1 calc R U P A 1
H13F H 0.164379 0.601679 0.656768 0.113 Uiso 0.195(17) 1 calc R U P A 1
C134 C 0.153(10) 0.6116(17) 0.833(4) 0.095(6) Uani 0.195(17) 1 d D U P A 1
H13G H 0.168093 0.600696 0.880371 0.114 Uiso 0.195(17) 1 calc R U P A 1
H13H H 0.066227 0.616473 0.821918 0.114 Uiso 0.195(17) 1 calc R U P A 1
C135 C 0.230(11) 0.6359(13) 0.842(4) 0.094(5) Uani 0.195(17) 1 d D U P A 1
H13I H 0.217728 0.645708 0.888801 0.113 Uiso 0.195(17) 1 calc R U P A 1
H13J H 0.315602 0.630689 0.849205 0.113 Uiso 0.195(17) 1 calc R U P A 1
Au2 Au 0.94730(6) 0.49220(2) 0.28228(4) 0.03352(18) Uani 1 1 d . U . . .
O3 O 0.8546(13) 0.5615(3) 0.2002(7) 0.053(4) Uani 1 1 d . U . . .
O4 O 1.0845(15) 0.6353(3) 0.2906(10) 0.073(4) Uani 1 1 d . U . . .
N6 N 1.1075(13) 0.4440(3) 0.2893(9) 0.034(3) Uani 1 1 d . U . . .
N7 N 1.2136(13) 0.4793(3) 0.2896(8) 0.031(3) Uani 1 1 d . U . . .
N8 N 0.6772(14) 0.5042(3) 0.2532(9) 0.040(3) Uani 1 1 d . U . . .
N9 N 0.7795(15) 0.5360(4) 0.3107(10) 0.045(4) Uani 1 1 d . U . . .
N10 N 1.0084(16) 0.5829(4) 0.2735(10) 0.057(4) Uani 1 1 d . U . . .
C46 C 1.0950(16) 0.4710(4) 0.2867(9) 0.029(3) Uani 1 1 d . U . . .
C47 C 1.2245(17) 0.4361(4) 0.2911(11) 0.040(4) Uani 1 1 d . U . . .
H47 H 1.253195 0.418394 0.292918 0.048 Uiso 1 1 calc R U . . .
C48 C 1.2900(17) 0.4579(4) 0.2898(11) 0.038(4) Uani 1 1 d . U . . .
H48 H 1.373777 0.458664 0.289201 0.046 Uiso 1 1 calc R U . . .
C49 C 1.0037(17) 0.4273(4) 0.2861(10) 0.034(4) Uani 1 1 d . U . . .
C50 C 0.9709(16) 0.4190(4) 0.3524(10) 0.033(3) Uani 1 1 d . U . . .
C51 C 0.8731(17) 0.4017(4) 0.3481(10) 0.034(4) Uani 1 1 d . U . . .
H51 H 0.850205 0.395227 0.393711 0.041 Uiso 1 1 calc R U . . .
C52 C 0.8103(17) 0.3943(4) 0.2769(10) 0.038(4) Uani 1 1 d . U . . .
H52 H 0.741327 0.383264 0.273298 0.045 Uiso 1 1 calc R U . . .
C53 C 0.8484(18) 0.4030(4) 0.2091(10) 0.041(4) Uani 1 1 d . U . . .
H53 H 0.803245 0.398026 0.160429 0.049 Uiso 1 1 calc R U . . .
C54 C 0.9476(17) 0.4184(4) 0.2117(11) 0.036(4) Uani 1 1 d . U . . .
C55 C 1.0450(17) 0.4267(4) 0.4301(10) 0.040(4) Uani 1 1 d . U . . .
H55 H 1.098960 0.441872 0.422913 0.048 Uiso 1 1 calc R U . . .
C56 C 0.960(2) 0.4353(5) 0.4867(13) 0.065(6) Uani 1 1 d . U . . .
H56A H 0.908041 0.449930 0.463888 0.098 Uiso 1 1 calc R U . . .
H56B H 1.008355 0.441150 0.535590 0.098 Uiso 1 1 calc R U . . .
H56C H 0.909531 0.420275 0.496008 0.098 Uiso 1 1 calc R U . . .
C57 C 1.1202(18) 0.4040(5) 0.4677(12) 0.050(5) Uani 1 1 d . U . . .
H57A H 1.067326 0.389903 0.479984 0.074 Uiso 1 1 calc R U . . .
H57B H 1.171819 0.410201 0.515095 0.074 Uiso 1 1 calc R U . . .
H57C H 1.170492 0.397180 0.432402 0.074 Uiso 1 1 calc R U . . .
C58 C 0.9880(18) 0.4285(4) 0.1379(10) 0.040(4) Uani 1 1 d . U . . .
H58 H 1.061797 0.439672 0.151873 0.048 Uiso 1 1 calc R U . . .
C59 C 0.886(2) 0.4447(5) 0.0878(12) 0.059(6) Uani 1 1 d . U . . .
H59A H 0.814809 0.433464 0.073214 0.089 Uiso 1 1 calc R U . . .
H59B H 0.913309 0.450887 0.041307 0.089 Uiso 1 1 calc R U . . .
H59C H 0.865788 0.459957 0.117183 0.089 Uiso 1 1 calc R U . . .
C60 C 1.016(2) 0.4036(4) 0.0919(11) 0.051(5) Uani 1 1 d . U . . .
H60A H 1.099079 0.397711 0.111472 0.076 Uiso 1 1 calc R U . . .
H60B H 1.007906 0.408094 0.037273 0.076 Uiso 1 1 calc R U . . .
H60C H 0.960252 0.389308 0.098173 0.076 Uiso 1 1 calc R U . . .
C61 C 1.2485(16) 0.5063(4) 0.2876(10) 0.032(3) Uani 1 1 d . U . . .
C62 C 1.3033(15) 0.5189(4) 0.3558(9) 0.037(4) Uani 1 1 d D U . . .
C63 C 1.3407(19) 0.5454(4) 0.3509(12) 0.049(4) Uani 1 1 d . U . . .
H63 H 1.373566 0.554698 0.396733 0.059 Uiso 1 1 calc R U . . .
C64 C 1.3306(18) 0.5582(4) 0.2806(12) 0.045(4) Uani 1 1 d . U . . .
H64 H 1.361275 0.575671 0.277950 0.055 Uiso 1 1 calc R U . . .
C65 C 1.2756(17) 0.5454(4) 0.2142(12) 0.043(4) Uani 1 1 d . U . . .
H65 H 1.265649 0.554459 0.166386 0.052 Uiso 1 1 calc R U . . .
C66 C 1.2342(16) 0.5194(4) 0.2161(10) 0.035(4) Uani 1 1 d . U . . .
C67 C 1.3154(16) 0.5062(5) 0.4327(10) 0.053(5) Uani 1 1 d D U . . .
H67 H 1.296357 0.487009 0.423252 0.064 Uiso 1 1 calc R U . B 2
C70 C 1.1745(16) 0.5058(4) 0.1388(10) 0.036(4) Uani 1 1 d . U . . .
H70 H 1.146650 0.487827 0.152092 0.043 Uiso 1 1 calc R U . . .
C71 C 1.064(2) 0.5213(6) 0.1027(14) 0.072(7) Uani 1 1 d . U . . .
H71A H 1.010203 0.523314 0.140113 0.108 Uiso 1 1 calc R U . . .
H71B H 1.021267 0.511771 0.057379 0.108 Uiso 1 1 calc R U . . .
H71C H 1.087912 0.538801 0.087134 0.108 Uiso 1 1 calc R U . . .
C72 C 1.266(2) 0.5017(5) 0.0909(13) 0.066(6) Uani 1 1 d . U . . .
H72A H 1.306222 0.518584 0.085141 0.100 Uiso 1 1 calc R U . . .
H72B H 1.227023 0.495241 0.040175 0.100 Uiso 1 1 calc R U . . .
H72C H 1.324871 0.488736 0.115441 0.100 Uiso 1 1 calc R U . . .
C73 C 0.7951(18) 0.5117(4) 0.2795(11) 0.042(4) Uani 1 1 d . U . . .
C74 C 0.5963(18) 0.5234(4) 0.2675(11) 0.045(4) Uani 1 1 d . U . . .
H74 H 0.511284 0.522802 0.251890 0.054 Uiso 1 1 calc R U . . .
C75 C 0.6599(18) 0.5432(4) 0.3074(11) 0.046(4) Uani 1 1 d . U . . .
H75 H 0.629836 0.558554 0.328423 0.055 Uiso 1 1 calc R U . . .
C76 C 0.6381(16) 0.4817(4) 0.2082(10) 0.038(4) Uani 1 1 d . U . . .
C77 C 0.6204(17) 0.4843(4) 0.1254(11) 0.042(4) Uani 1 1 d . U . . .
C78 C 0.5784(19) 0.4624(5) 0.0832(13) 0.052(5) Uani 1 1 d . U . . .
H78 H 0.564441 0.463328 0.028596 0.062 Uiso 1 1 calc R U . . .
C79 C 0.556(2) 0.4386(5) 0.1185(13) 0.056(5) Uani 1 1 d . U . . .
C80 C 0.5792(18) 0.4362(4) 0.1957(12) 0.048(4) Uani 1 1 d . U . . .
H80 H 0.565865 0.419646 0.218570 0.058 Uiso 1 1 calc R U . . .
C81 C 0.6229(18) 0.4577(4) 0.2427(11) 0.043(4) Uani 1 1 d . U . . .
C82 C 0.643(2) 0.5102(5) 0.0891(14) 0.063(6) Uani 1 1 d . U . . .
H82A H 0.614545 0.509086 0.033354 0.094 Uiso 1 1 calc R U . . .
H82B H 0.728874 0.514160 0.099898 0.094 Uiso 1 1 calc R U . . .
H82C H 0.598609 0.524279 0.110308 0.094 Uiso 1 1 calc R U . . .
C83 C 0.517(2) 0.4139(5) 0.0708(14) 0.070(7) Uani 1 1 d . U . . .
H83A H 0.452703 0.418559 0.027595 0.105 Uiso 1 1 calc R U . . .
H83B H 0.487276 0.400619 0.103052 0.105 Uiso 1 1 calc R U . . .
H83C H 0.585842 0.406760 0.050950 0.105 Uiso 1 1 calc R U . . .
C84 C 0.6479(19) 0.4554(5) 0.3277(11) 0.050(5) Uani 1 1 d . U . . .
H84A H 0.733490 0.451560 0.345421 0.076 Uiso 1 1 calc R U . . .
H84B H 0.599250 0.441133 0.343566 0.076 Uiso 1 1 calc R U . . .
H84C H 0.627627 0.472185 0.350333 0.076 Uiso 1 1 calc R U . . .
C85 C 0.8811(18) 0.5534(4) 0.3373(11) 0.045(4) Uani 1 1 d . U . . .
H85A H 0.949540 0.543319 0.366562 0.055 Uiso 1 1 calc R U . . .
H85B H 0.858144 0.567454 0.370999 0.055 Uiso 1 1 calc R U . . .
C86 C 0.9162(18) 0.5659(4) 0.2636(11) 0.043(4) Uani 1 1 d . U . . .
C87 C 1.045(2) 0.5971(5) 0.2113(14) 0.068(5) Uani 1 1 d . U . . .
H87A H 0.999266 0.590655 0.161402 0.082 Uiso 1 1 calc R U . . .
H87B H 1.131593 0.594403 0.211981 0.082 Uiso 1 1 calc R U . . .
C88 C 1.018(2) 0.6265(5) 0.2216(14) 0.068(5) Uani 1 1 d . U . . .
H88A H 1.040069 0.636870 0.178589 0.081 Uiso 1 1 calc R U . . .
H88B H 0.931434 0.629081 0.221375 0.081 Uiso 1 1 calc R U . . .
C89 C 1.049(2) 0.6213(5) 0.3563(13) 0.062(5) Uani 1 1 d . U . . .
H89A H 0.962363 0.623952 0.356090 0.075 Uiso 1 1 calc R U . . .
H89B H 1.095265 0.628285 0.405282 0.075 Uiso 1 1 calc R U . . .
C90 C 1.076(2) 0.5917(5) 0.3483(13) 0.058(5) Uani 1 1 d . U . . .
H90A H 1.163678 0.588893 0.350554 0.070 Uiso 1 1 calc R U . . .
H90B H 1.051214 0.581464 0.390502 0.070 Uiso 1 1 calc R U . . .
Au4 Au 0.49800(7) 0.24576(2) 0.68568(4) 0.03732(19) Uani 1 1 d . U . . .
O7 O 0.556(2) 0.1750(4) 0.7815(12) 0.093(6) Uani 1 1 d . U . . .
O8 O 0.2856(18) 0.1033(4) 0.6980(12) 0.093(5) Uani 1 1 d . U . . .
N16 N 0.3529(13) 0.2967(3) 0.6787(8) 0.034(3) Uani 1 1 d . U . . .
N17 N 0.2400(14) 0.2621(3) 0.6787(9) 0.043(3) Uani 1 1 d . U . . .
N18 N 0.7590(16) 0.2263(4) 0.7188(10) 0.053(4) Uani 1 1 d . U . . .
N19 N 0.6442(18) 0.1958(4) 0.6656(12) 0.063(4) Uani 1 1 d . U . . .
N20 N 0.408(2) 0.1516(5) 0.7116(15) 0.092(6) Uani 1 1 d . U . . .
C136 C 0.3540(17) 0.2690(4) 0.6796(10) 0.036(4) Uani 1 1 d . U . . .
C137 C 0.2365(17) 0.3057(4) 0.6786(11) 0.043(4) Uani 1 1 d . U . . .
H137 H 0.210896 0.323618 0.678845 0.051 Uiso 1 1 calc R U . . .
C138 C 0.1683(17) 0.2843(4) 0.6782(11) 0.040(4) Uani 1 1 d . U . . .
H138 H 0.084079 0.284286 0.677637 0.048 Uiso 1 1 calc R U . . .
C139 C 0.4584(16) 0.3133(4) 0.6868(10) 0.035(3) Uani 1 1 d . U . . .
C140 C 0.5178(18) 0.3200(4) 0.7592(11) 0.038(4) Uani 1 1 d . U . . .
C141 C 0.6177(17) 0.3361(4) 0.7636(12) 0.041(4) Uani 1 1 d . U . . .
H141 H 0.658240 0.341855 0.812708 0.050 Uiso 1 1 calc R U . . .
C142 C 0.658(2) 0.3435(4) 0.7020(12) 0.046(4) Uani 1 1 d . U . . .
H142 H 0.727719 0.354503 0.708058 0.055 Uiso 1 1 calc R U . . .
C143 C 0.6035(19) 0.3360(4) 0.6281(12) 0.050(5) Uani 1 1 d . U . . .
H143 H 0.636788 0.341077 0.584714 0.060 Uiso 1 1 calc R U . . .
C144 C 0.4988(19) 0.3208(4) 0.6191(12) 0.043(4) Uani 1 1 d . U . . .
C145 C 0.4721(18) 0.3120(4) 0.8330(10) 0.042(4) Uani 1 1 d . U . . .
H145 H 0.398153 0.301049 0.816131 0.051 Uiso 1 1 calc R U . . .
C146 C 0.563(2) 0.2941(5) 0.8821(13) 0.060(6) Uani 1 1 d . U . . .
H14D H 0.584448 0.279595 0.850476 0.089 Uiso 1 1 calc R U . . .
H14E H 0.527365 0.286837 0.924295 0.089 Uiso 1 1 calc R U . . .
H14F H 0.634852 0.304345 0.903239 0.089 Uiso 1 1 calc R U . . .
C147 C 0.434(2) 0.3359(4) 0.8761(12) 0.058(6) Uani 1 1 d . U . . .
H14G H 0.505044 0.345672 0.901004 0.087 Uiso 1 1 calc R U . . .
H14H H 0.388512 0.329788 0.915184 0.087 Uiso 1 1 calc R U . . .
H14I H 0.382262 0.347543 0.839559 0.087 Uiso 1 1 calc R U . . .
C148 C 0.4275(18) 0.3127(4) 0.5398(11) 0.045(4) Uani 1 1 d . U . . .
H148 H 0.378326 0.296649 0.546171 0.054 Uiso 1 1 calc R U . . .
C149 C 0.341(2) 0.3357(5) 0.5087(13) 0.054(5) Uani 1 1 d . U . . .
H14J H 0.285095 0.338854 0.543764 0.081 Uiso 1 1 calc R U . . .
H14K H 0.296389 0.331105 0.457588 0.081 Uiso 1 1 calc R U . . .
H14L H 0.388537 0.351837 0.504943 0.081 Uiso 1 1 calc R U . . .
C150 C 0.509(2) 0.3064(6) 0.4822(12) 0.065(6) Uani 1 1 d . U . . .
H15D H 0.555402 0.322208 0.474002 0.098 Uiso 1 1 calc R U . . .
H15E H 0.459875 0.300856 0.433261 0.098 Uiso 1 1 calc R U . . .
H15F H 0.564475 0.292067 0.502487 0.098 Uiso 1 1 calc R U . . .
C151 C 0.1980(17) 0.2353(4) 0.6815(11) 0.041(4) Uani 1 1 d . U . . .
C152 C 0.2037(17) 0.2235(4) 0.7498(11) 0.042(4) Uani 1 1 d . U . . .
C153 C 0.1634(19) 0.1976(5) 0.7536(12) 0.052(5) Uani 1 1 d . U . . .
H153 H 0.171422 0.188656 0.801499 0.062 Uiso 1 1 calc R U . . .
C154 C 0.112(2) 0.1854(5) 0.6868(15) 0.068(6) Uani 1 1 d . U . . .
H154 H 0.081398 0.167931 0.689215 0.082 Uiso 1 1 calc R U . . .
C155 C 0.104(2) 0.1972(5) 0.6171(14) 0.061(5) Uani 1 1 d . U . . .
H155 H 0.068656 0.188032 0.571608 0.073 Uiso 1 1 calc R U . . .
C156 C 0.148(2) 0.2231(5) 0.6125(13) 0.055(5) Uani 1 1 d . U . . .
C157 C 0.265(2) 0.2385(5) 0.8263(11) 0.055(5) Uani 1 1 d . U . . .
H157 H 0.296269 0.256153 0.813269 0.067 Uiso 1 1 calc R U . . .
C158 C 0.174(2) 0.2419(6) 0.8789(13) 0.075(7) Uani 1 1 d . U . . .
H15G H 0.113835 0.255145 0.856724 0.113 Uiso 1 1 calc R U . . .
H15H H 0.215012 0.247938 0.929654 0.113 Uiso 1 1 calc R U . . .
H15I H 0.133901 0.224998 0.884027 0.113 Uiso 1 1 calc R U . . .
C159 C 0.367(2) 0.2217(6) 0.8661(14) 0.074(7) Uani 1 1 d . U . . .
H15J H 0.336681 0.204270 0.877262 0.111 Uiso 1 1 calc R U . . .
H15K H 0.404861 0.230262 0.914382 0.111 Uiso 1 1 calc R U . . .
H15L H 0.427136 0.219671 0.832819 0.111 Uiso 1 1 calc R U . . .
C160 C 0.141(2) 0.2357(6) 0.5320(13) 0.066(5) Uani 1 1 d . U . . .
H160 H 0.159462 0.255051 0.538718 0.079 Uiso 1 1 calc R U . . .
C161 C 0.018(2) 0.2327(6) 0.4817(16) 0.086(8) Uani 1 1 d . U . . .
H16A H -0.001528 0.213878 0.474379 0.130 Uiso 1 1 calc R U . . .
H16B H 0.018018 0.241026 0.431589 0.130 Uiso 1 1 calc R U . . .
H16C H -0.042673 0.241349 0.506578 0.130 Uiso 1 1 calc R U . . .
C162 C 0.238(3) 0.2228(8) 0.4947(15) 0.092(9) Uani 1 1 d . U . . .
H16D H 0.213098 0.204757 0.478938 0.139 Uiso 1 1 calc R U . . .
H16E H 0.313647 0.222319 0.531798 0.139 Uiso 1 1 calc R U . . .
H16F H 0.248606 0.233139 0.449538 0.139 Uiso 1 1 calc R U . . .
C163 C 0.638(2) 0.2217(4) 0.6890(12) 0.051(4) Uani 1 1 d . U . . .
C164 C 0.832(2) 0.2051(5) 0.7072(16) 0.071(6) Uani 1 1 d . U . . .
H164 H 0.917033 0.204251 0.717642 0.085 Uiso 1 1 calc R U . . .
C165 C 0.753(2) 0.1861(5) 0.6777(14) 0.066(5) Uani 1 1 d . U . . .
H165 H 0.773658 0.168391 0.667318 0.079 Uiso 1 1 calc R U . . .
C166 C 0.7978(16) 0.2506(4) 0.7595(11) 0.044(4) Uani 1 1 d . U . . .
C167 C 0.8113(18) 0.2513(5) 0.8338(11) 0.054(5) Uani 1 1 d . U . . .
C168 C 0.862(2) 0.2738(5) 0.8751(14) 0.064(5) Uani 1 1 d . U . . .
H168 H 0.878777 0.273197 0.929793 0.077 Uiso 1 1 calc R U . . .
C169 C 0.889(2) 0.2966(5) 0.8380(14) 0.065(5) Uani 1 1 d . U . . .
C170 C 0.871(2) 0.2954(5) 0.7564(13) 0.060(5) Uani 1 1 d . U . . .
H170 H 0.891973 0.310290 0.728946 0.072 Uiso 1 1 calc R U . . .
C171 C 0.824(2) 0.2730(5) 0.7154(12) 0.053(4) Uani 1 1 d . U . . .
C172 C 0.784(3) 0.2273(6) 0.8798(14) 0.074(7) Uani 1 1 d . U . . .
H17A H 0.849313 0.214369 0.882967 0.112 Uiso 1 1 calc R U . . .
H17B H 0.708209 0.219134 0.854267 0.112 Uiso 1 1 calc R U . . .
H17C H 0.776131 0.232847 0.931799 0.112 Uiso 1 1 calc R U . . .
C173 C 0.941(2) 0.3209(5) 0.8792(15) 0.079(7) Uani 1 1 d . U . . .
H17D H 0.899349 0.324686 0.922092 0.118 Uiso 1 1 calc R U . . .
H17E H 0.930820 0.335938 0.843488 0.118 Uiso 1 1 calc R U . . .
H17F H 1.026756 0.318125 0.899149 0.118 Uiso 1 1 calc R U . . .
C174 C 0.804(3) 0.2723(6) 0.6292(13) 0.077(7) Uani 1 1 d . U . . .
H17G H 0.718836 0.269207 0.608495 0.116 Uiso 1 1 calc R U . . .
H17H H 0.852395 0.258023 0.612694 0.116 Uiso 1 1 calc R U . . .
H17I H 0.828820 0.289291 0.610071 0.116 Uiso 1 1 calc R U . . .
C175 C 0.532(2) 0.1807(5) 0.6452(14) 0.068(5) Uani 1 1 d . U . . .
H17J H 0.542040 0.166493 0.608400 0.082 Uiso 1 1 calc R U . . .
H17K H 0.466398 0.192571 0.620628 0.082 Uiso 1 1 calc R U . . .
C176 C 0.501(3) 0.1685(6) 0.7208(17) 0.080(6) Uani 1 1 d . U . . .
C177 C 0.340(3) 0.1431(6) 0.6366(18) 0.093(7) Uani 1 1 d . U . . .
H17L H 0.378974 0.150191 0.594888 0.112 Uiso 1 1 calc R U . . .
H17M H 0.257200 0.149996 0.629423 0.112 Uiso 1 1 calc R U . . .
C178 C 0.338(3) 0.1123(6) 0.6331(19) 0.100(7) Uani 1 1 d . U . . .
H17N H 0.289061 0.106198 0.584002 0.120 Uiso 1 1 calc R U . . .
H17O H 0.420834 0.105239 0.637006 0.120 Uiso 1 1 calc R U . . .
C179 C 0.363(3) 0.1097(6) 0.7667(18) 0.098(7) Uani 1 1 d . U . . .
H17P H 0.445702 0.103330 0.764922 0.117 Uiso 1 1 calc R U . . .
H17Q H 0.335801 0.101128 0.810722 0.117 Uiso 1 1 calc R U . . .
C180 C 0.364(3) 0.1398(6) 0.7762(18) 0.095(7) Uani 1 1 d . U . . .
H18A H 0.281231 0.146201 0.777202 0.114 Uiso 1 1 calc R U . . .
H18B H 0.416296 0.144882 0.825189 0.114 Uiso 1 1 calc R U . . .
P1 P 1.0313(5) 0.36950(11) 0.6723(3) 0.0359(12) Uani 1 1 d . U . . .
F1 F 0.9152(12) 0.3733(3) 0.6102(8) 0.069(4) Uani 1 1 d . U . . .
F2 F 1.1460(12) 0.3661(3) 0.7344(8) 0.064(4) Uani 1 1 d . U . . .
F3 F 1.0579(10) 0.4004(2) 0.6660(7) 0.050(3) Uani 1 1 d . U . . .
F4 F 1.1085(13) 0.3633(3) 0.6075(7) 0.069(4) Uani 1 1 d . U . . .
F5 F 1.0047(11) 0.3384(2) 0.6765(9) 0.070(4) Uani 1 1 d . U . . .
F6 F 0.9555(14) 0.3758(3) 0.7375(8) 0.082(4) Uani 1 1 d . U . . .
P3 P 0.3939(7) 0.61495(15) 0.4943(4) 0.083(2) Uani 1 1 d . U . . .
F13 F 0.2836(15) 0.5946(3) 0.4921(10) 0.098(5) Uani 1 1 d . U . . .
F14 F 0.5030(16) 0.6351(4) 0.4980(10) 0.113(5) Uani 1 1 d . U . . .
F15 F 0.3040(17) 0.6398(3) 0.4953(11) 0.111(5) Uani 1 1 d . U . . .
F16 F 0.3747(14) 0.6153(4) 0.4022(9) 0.101(5) Uani 1 1 d . U . . .
F17 F 0.4850(18) 0.5905(4) 0.4961(11) 0.116(5) Uani 1 1 d . U . . .
F18 F 0.4158(18) 0.6134(4) 0.5874(10) 0.117(6) Uani 1 1 d . U . . .
P2 P 0.4239(6) 0.37008(12) 0.2986(3) 0.0383(13) Uani 1 1 d . U . . .
F7 F 0.3126(12) 0.3756(3) 0.2330(8) 0.067(4) Uani 1 1 d . U . . .
F8 F 0.5343(14) 0.3640(3) 0.3656(8) 0.071(4) Uani 1 1 d . U . . .
F9 F 0.4549(11) 0.4007(2) 0.3042(8) 0.057(3) Uani 1 1 d . U . . .
F10 F 0.5081(13) 0.3666(3) 0.2363(8) 0.064(3) Uani 1 1 d . U . . .
F11 F 0.3946(11) 0.3393(2) 0.2936(8) 0.062(3) Uani 1 1 d . U . . .
F12 F 0.3381(14) 0.3742(3) 0.3585(8) 0.072(4) Uani 1 1 d . U . . .
P4 P 0.914(2) 0.6222(5) 0.5499(13) 0.110(3) Uani 0.477(17) 1 d D U P C 1
F19 F 0.814(3) 0.5990(6) 0.556(2) 0.121(8) Uani 0.477(17) 1 d D U P C 1
F20 F 1.012(3) 0.6452(6) 0.545(2) 0.121(8) Uani 0.477(17) 1 d D U P C 1
F21 F 0.806(3) 0.6443(6) 0.532(2) 0.128(7) Uani 0.477(17) 1 d D U P C 1
F22 F 0.900(3) 0.6164(8) 0.4580(13) 0.126(8) Uani 0.477(17) 1 d D U P C 1
F23 F 1.021(3) 0.6001(6) 0.566(2) 0.116(8) Uani 0.477(17) 1 d D U P C 1
F24 F 0.927(3) 0.6274(7) 0.6426(13) 0.117(8) Uani 0.477(17) 1 d D U P C 1
P4A P 0.908(2) 0.6253(5) 0.5581(14) 0.110(3) Uani 0.523(17) 1 d D U P C 2
F19A F 0.876(4) 0.6409(8) 0.4756(19) 0.126(7) Uani 0.523(17) 1 d D U P C 2
F20A F 0.960(4) 0.6124(9) 0.6410(19) 0.118(8) Uani 0.523(17) 1 d D U P C 2
F21A F 0.859(4) 0.6528(7) 0.591(2) 0.130(8) Uani 0.523(17) 1 d D U P C 2
F22A F 1.035(3) 0.6401(9) 0.563(3) 0.122(8) Uani 0.523(17) 1 d D U P C 2
F23A F 0.954(4) 0.5990(7) 0.515(2) 0.114(7) Uani 0.523(17) 1 d D U P C 2
F24A F 0.773(3) 0.6126(9) 0.547(3) 0.125(8) Uani 0.523(17) 1 d D U P C 2
C68 C 1.222(3) 0.5171(8) 0.4772(14) 0.107(10) Uani 1 1 d D U . D 2
H68A H 1.229890 0.536388 0.481735 0.160 Uiso 1 1 calc R U . D 2
H68B H 1.234237 0.509202 0.528707 0.160 Uiso 1 1 calc R U . D 2
H68C H 1.140618 0.512691 0.449649 0.160 Uiso 1 1 calc R U . D 2
C69 C 1.4388(19) 0.5074(6) 0.4818(12) 0.072(7) Uani 1 1 d D U . E 2
H69A H 1.498223 0.500781 0.452426 0.109 Uiso 1 1 calc R U . E 2
H69B H 1.440753 0.496503 0.527805 0.109 Uiso 1 1 calc R U . E 2
H69C H 1.457943 0.525816 0.497119 0.109 Uiso 1 1 calc R U . E 2
C230 C 0.051(3) 0.6812(8) 0.7082(17) 0.088(5) Uani 0.805(17) 1 d D U P A 2
H23A H 0.098730 0.691301 0.676327 0.105 Uiso 0.805(17) 1 calc R U P A 2
H23B H 0.008139 0.666836 0.676194 0.105 Uiso 0.805(17) 1 calc R U P A 2
C231 C 0.135(3) 0.6693(7) 0.7778(15) 0.092(5) Uani 0.805(17) 1 d D U P A 2
O5A O 0.119(2) 0.6762(6) 0.8414(14) 0.103(6) Uani 0.805(17) 1 d D U P A 2
N15A N 0.227(2) 0.6535(5) 0.7653(13) 0.094(4) Uani 0.805(17) 1 d D U P A 2
C232 C 0.238(3) 0.6441(5) 0.6890(12) 0.093(5) Uani 0.805(17) 1 d D U P A 2
H23C H 0.313163 0.651158 0.675153 0.112 Uiso 0.805(17) 1 calc R U P A 2
H23D H 0.169424 0.650681 0.650719 0.112 Uiso 0.805(17) 1 calc R U P A 2
C233 C 0.241(3) 0.6143(5) 0.6868(13) 0.095(5) Uani 0.805(17) 1 d D U P A 2
H23E H 0.161225 0.607254 0.693205 0.114 Uiso 0.805(17) 1 calc R U P A 2
H23F H 0.256057 0.608321 0.636088 0.114 Uiso 0.805(17) 1 calc R U P A 2
C235 C 0.313(3) 0.6410(5) 0.8275(14) 0.095(5) Uani 0.805(17) 1 d D U P A 2
H23G H 0.294618 0.646356 0.877928 0.114 Uiso 0.805(17) 1 calc R U P A 2
H23H H 0.395855 0.647005 0.825089 0.114 Uiso 0.805(17) 1 calc R U P A 2
C234 C 0.305(3) 0.6116(5) 0.8191(12) 0.094(5) Uani 0.805(17) 1 d D U P A 2
H23I H 0.363123 0.603055 0.860848 0.113 Uiso 0.805(17) 1 calc R U P A 2
H23J H 0.223155 0.605547 0.823272 0.113 Uiso 0.805(17) 1 calc R U P A 2
O6A O 0.332(2) 0.6040(4) 0.7460(13) 0.095(5) Uani 0.805(17) 1 d D U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 1.919(19) . ?
Au1 C28 1.99(2) . ?
O1 C41 1.25(3) . ?
O2 C43 1.46(3) . ?
O2 C44 1.39(4) . ?
N1 C1 1.42(2) . ?
N1 C2 1.39(2) . ?
N1 C4 1.46(2) . ?
N2 C1 1.41(2) . ?
N2 C3 1.40(3) . ?
N2 C16 1.41(2) . ?
N3 C28 1.38(3) . ?
N3 C29 1.40(3) . ?
N3 C31 1.44(3) . ?
N4 C28 1.34(3) . ?
N4 C30 1.40(3) . ?
N4 C40 1.42(3) . ?
N5 C41 1.30(3) . ?
N5 C42 1.45(3) . ?
N5 C45 1.49(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.37(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.42(3) . ?
C4 C9 1.38(2) . ?
C5 C6 1.38(3) . ?
C5 C10 1.50(2) . ?
C6 H6 0.9500 . ?
C6 C7 1.40(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.37(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.37(3) . ?
C9 C13 1.54(3) . ?
C10 H10 1.0000 . ?
C10 C11 1.58(3) . ?
C10 C12 1.49(3) . ?
C11 H11M 0.9800 . ?
C11 H11N 0.9800 . ?
C11 H11O 0.9800 . ?
C12 H12J 0.9800 . ?
C12 H12K 0.9800 . ?
C12 H12L 0.9800 . ?
C13 H13 1.0000 . ?
C13 C14 1.52(3) . ?
C13 C15 1.51(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.39(2) . ?
C16 C21 1.44(3) . ?
C17 C18 1.39(3) . ?
C17 C22 1.52(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.39(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.37(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.41(3) . ?
C21 C25 1.56(3) . ?
C22 H22 1.0000 . ?
C22 C23 1.54(3) . ?
C22 C24 1.53(3) . ?
C23 H23K 0.9800 . ?
C23 H23L 0.9800 . ?
C23 H23M 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25 1.0000 . ?
C25 C26 1.53(4) . ?
C25 C27 1.51(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C29 H29 0.9500 . ?
C29 C30 1.30(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.43(3) . ?
C31 C36 1.39(3) . ?
C32 C33 1.35(3) . ?
C32 C37 1.50(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.36(3) . ?
C34 C35 1.41(3) . ?
C34 C38 1.53(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.40(3) . ?
C36 C39 1.49(3) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.58(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.54(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C45 1.46(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
Au3 C91 2.01(2) . ?
Au3 C118 1.97(2) . ?
O5 C131 1.21(2) . ?
O6 C133 1.42(2) . ?
O6 C134 1.43(2) . ?
N11 C91 1.38(2) . ?
N11 C92 1.40(3) . ?
N11 C94 1.42(2) . ?
N12 C91 1.32(2) . ?
N12 C93 1.37(3) . ?
N12 C106 1.45(2) . ?
N13 C118 1.38(3) . ?
N13 C120 1.39(3) . ?
N13 C121 1.43(3) . ?
N14 C118 1.40(3) . ?
N14 C119 1.36(3) . ?
N14 C130 1.52(4) . ?
N14 C230 1.52(4) . ?
N15 C131 1.365(18) . ?
N15 C132 1.455(18) . ?
N15 C135 1.462(19) . ?
C92 H92 0.9500 . ?
C92 C93 1.29(3) . ?
C93 H93 0.9500 . ?
C94 C95 1.35(3) . ?
C94 C99 1.39(2) . ?
C95 C96 1.39(3) . ?
C95 C100 1.59(3) . ?
C96 H96 0.9500 . ?
C96 C97 1.37(3) . ?
C97 H97 0.9500 . ?
C97 C98 1.39(3) . ?
C98 H98 0.9500 . ?
C98 C99 1.41(3) . ?
C99 C103 1.51(3) . ?
C100 H100 1.0000 . ?
C100 C101 1.47(3) . ?
C100 C102 1.56(3) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 H103 1.0000 . ?
C103 C104 1.52(3) . ?
C103 C105 1.56(3) . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 H10J 0.9800 . ?
C105 H10K 0.9800 . ?
C105 H10L 0.9800 . ?
C106 C107 1.39(3) . ?
C106 C111 1.38(3) . ?
C107 C108 1.41(3) . ?
C107 C112 1.53(3) . ?
C108 H108 0.9500 . ?
C108 C109 1.37(3) . ?
C109 H109 0.9500 . ?
C109 C110 1.35(3) . ?
C110 H110 0.9500 . ?
C110 C111 1.39(3) . ?
C111 C115 1.53(3) . ?
C112 H112 1.0000 . ?
C112 C113 1.50(3) . ?
C112 C114 1.52(3) . ?
C113 H11A 0.9800 . ?
C113 H11B 0.9800 . ?
C113 H11C 0.9800 . ?
C114 H11D 0.9800 . ?
C114 H11E 0.9800 . ?
C114 H11F 0.9800 . ?
C115 H115 1.0000 . ?
C115 C116 1.57(4) . ?
C115 C117 1.57(4) . ?
C116 H11G 0.9800 . ?
C116 H11H 0.9800 . ?
C116 H11I 0.9800 . ?
C117 H11J 0.9800 . ?
C117 H11K 0.9800 . ?
C117 H11L 0.9800 . ?
C119 H119 0.9500 . ?
C119 C120 1.29(4) . ?
C120 H120 0.9500 . ?
C121 C122 1.37(3) . ?
C121 C126 1.41(3) . ?
C122 C123 1.41(3) . ?
C122 C127 1.46(3) . ?
C123 H123 0.9500 . ?
C123 C124 1.43(3) . ?
C124 C125 1.36(3) . ?
C124 C128 1.52(3) . ?
C125 H125 0.9500 . ?
C125 C126 1.35(3) . ?
C126 C129 1.50(3) . ?
C127 H12A 0.9800 . ?
C127 H12B 0.9800 . ?
C127 H12C 0.9800 . ?
C128 H12D 0.9800 . ?
C128 H12E 0.9800 . ?
C128 H12F 0.9800 . ?
C129 H12G 0.9800 . ?
C129 H12H 0.9800 . ?
C129 H12I 0.9800 . ?
C130 H13A 0.9900 . ?
C130 H13B 0.9900 . ?
C130 C131 1.52(2) . ?
C132 H13C 0.9900 . ?
C132 H13D 0.9900 . ?
C132 C133 1.49(2) . ?
C133 H13E 0.9900 . ?
C133 H13F 0.9900 . ?
C134 H13G 0.9900 . ?
C134 H13H 0.9900 . ?
C134 C135 1.49(2) . ?
C135 H13I 0.9900 . ?
C135 H13J 0.9900 . ?
Au2 C46 1.972(19) . ?
Au2 C73 1.98(2) . ?
O3 C86 1.23(2) . ?
O4 C88 1.38(3) . ?
O4 C89 1.48(3) . ?
N6 C46 1.37(2) . ?
N6 C47 1.38(2) . ?
N6 C49 1.44(2) . ?
N7 C46 1.40(2) . ?
N7 C48 1.38(2) . ?
N7 C61 1.42(2) . ?
N8 C73 1.38(2) . ?
N8 C74 1.39(3) . ?
N8 C76 1.41(2) . ?
N9 C73 1.37(3) . ?
N9 C75 1.39(3) . ?
N9 C85 1.46(3) . ?
N10 C86 1.34(3) . ?
N10 C87 1.43(3) . ?
N10 C90 1.47(3) . ?
C47 H47 0.9500 . ?
C47 C48 1.33(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.36(3) . ?
C49 C54 1.42(3) . ?
C50 C51 1.40(3) . ?
C50 C55 1.52(2) . ?
C51 H51 0.9500 . ?
C51 C52 1.38(2) . ?
C52 H52 0.9500 . ?
C52 C53 1.42(3) . ?
C53 H53 0.9500 . ?
C53 C54 1.36(3) . ?
C54 C58 1.54(3) . ?
C55 H55 1.0000 . ?
C55 C56 1.57(3) . ?
C55 C57 1.51(3) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58 1.0000 . ?
C58 C59 1.55(3) . ?
C58 C60 1.56(3) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.40(2) . ?
C61 C66 1.41(2) . ?
C62 C63 1.41(3) . ?
C62 C67 1.49(2) . ?
C63 H63 0.9500 . ?
C63 C64 1.39(3) . ?
C64 H64 0.9500 . ?
C64 C65 1.38(3) . ?
C65 H65 0.9500 . ?
C65 C66 1.40(3) . ?
C66 C70 1.57(2) . ?
C67 H67 1.0000 . ?
C67 C68 1.53(2) . ?
C67 C69 1.502(19) . ?
C70 H70 1.0000 . ?
C70 C71 1.52(3) . ?
C70 C72 1.46(3) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C74 H74 0.9500 . ?
C74 C75 1.35(3) . ?
C75 H75 0.9500 . ?
C76 C77 1.45(3) . ?
C76 C81 1.38(3) . ?
C77 C78 1.37(3) . ?
C77 C82 1.50(3) . ?
C78 H78 0.9500 . ?
C78 C79 1.40(3) . ?
C79 C80 1.35(3) . ?
C79 C83 1.52(3) . ?
C80 H80 0.9500 . ?
C80 C81 1.40(3) . ?
C81 C84 1.48(3) . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C85 C86 1.56(3) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C87 C88 1.53(3) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 C90 1.54(3) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
Au4 C136 1.99(2) . ?
Au4 C163 1.99(2) . ?
O7 C176 1.18(3) . ?
O8 C178 1.46(4) . ?
O8 C179 1.40(3) . ?
N16 C136 1.40(2) . ?
N16 C137 1.39(2) . ?
N16 C139 1.44(2) . ?
N17 C136 1.33(2) . ?
N17 C138 1.38(3) . ?
N17 C151 1.43(2) . ?
N18 C163 1.39(3) . ?
N18 C164 1.39(3) . ?
N18 C166 1.45(3) . ?
N19 C163 1.38(3) . ?
N19 C165 1.30(3) . ?
N19 C175 1.46(3) . ?
N20 C176 1.34(4) . ?
N20 C177 1.47(4) . ?
N20 C180 1.46(4) . ?
C137 H137 0.9500 . ?
C137 C138 1.33(3) . ?
C138 H138 0.9500 . ?
C139 C140 1.37(3) . ?
C139 C144 1.41(3) . ?
C140 C141 1.38(3) . ?
C140 C145 1.54(3) . ?
C141 H141 0.9500 . ?
C141 C142 1.31(3) . ?
C142 H142 0.9500 . ?
C142 C143 1.39(3) . ?
C143 H143 0.9500 . ?
C143 C144 1.39(3) . ?
C144 C148 1.54(3) . ?
C145 H145 1.0000 . ?
C145 C146 1.51(3) . ?
C145 C147 1.53(3) . ?
C146 H14D 0.9800 . ?
C146 H14E 0.9800 . ?
C146 H14F 0.9800 . ?
C147 H14G 0.9800 . ?
C147 H14H 0.9800 . ?
C147 H14I 0.9800 . ?
C148 H148 1.0000 . ?
C148 C149 1.55(3) . ?
C148 C150 1.53(3) . ?
C149 H14J 0.9800 . ?
C149 H14K 0.9800 . ?
C149 H14L 0.9800 . ?
C150 H15D 0.9800 . ?
C150 H15E 0.9800 . ?
C150 H15F 0.9800 . ?
C151 C152 1.34(3) . ?
C151 C156 1.39(3) . ?
C152 C153 1.39(3) . ?
C152 C157 1.59(3) . ?
C153 H153 0.9500 . ?
C153 C154 1.36(3) . ?
C154 H154 0.9500 . ?
C154 C155 1.36(3) . ?
C155 H155 0.9500 . ?
C155 C156 1.41(3) . ?
C156 C160 1.55(3) . ?
C157 H157 1.0000 . ?
C157 C158 1.52(3) . ?
C157 C159 1.50(3) . ?
C158 H15G 0.9800 . ?
C158 H15H 0.9800 . ?
C158 H15I 0.9800 . ?
C159 H15J 0.9800 . ?
C159 H15K 0.9800 . ?
C159 H15L 0.9800 . ?
C160 H160 1.0000 . ?
C160 C161 1.51(3) . ?
C160 C162 1.52(3) . ?
C161 H16A 0.9800 . ?
C161 H16B 0.9800 . ?
C161 H16C 0.9800 . ?
C162 H16D 0.9800 . ?
C162 H16E 0.9800 . ?
C162 H16F 0.9800 . ?
C164 H164 0.9500 . ?
C164 C165 1.35(4) . ?
C165 H165 0.9500 . ?
C166 C167 1.29(3) . ?
C166 C171 1.43(3) . ?
C167 C168 1.41(3) . ?
C167 C172 1.52(3) . ?
C168 H168 0.9500 . ?
C168 C169 1.38(3) . ?
C169 C170 1.42(3) . ?
C169 C173 1.50(3) . ?
C170 H170 0.9500 . ?
C170 C171 1.40(3) . ?
C171 C174 1.50(3) . ?
C172 H17A 0.9800 . ?
C172 H17B 0.9800 . ?
C172 H17C 0.9800 . ?
C173 H17D 0.9800 . ?
C173 H17E 0.9800 . ?
C173 H17F 0.9800 . ?
C174 H17G 0.9800 . ?
C174 H17H 0.9800 . ?
C174 H17I 0.9800 . ?
C175 H17J 0.9900 . ?
C175 H17K 0.9900 . ?
C175 C176 1.57(4) . ?
C177 H17L 0.9900 . ?
C177 H17M 0.9900 . ?
C177 C178 1.56(4) . ?
C178 H17N 0.9900 . ?
C178 H17O 0.9900 . ?
C179 H17P 0.9900 . ?
C179 H17Q 0.9900 . ?
C179 C180 1.53(4) . ?
C180 H18A 0.9900 . ?
C180 H18B 0.9900 . ?
P1 F1 1.561(12) . ?
P1 F2 1.547(12) . ?
P1 F3 1.594(12) . ?
P1 F4 1.592(13) . ?
P1 F5 1.603(14) . ?
P1 F6 1.590(13) . ?
P3 F13 1.610(18) . ?
P3 F14 1.589(18) . ?
P3 F15 1.615(19) . ?
P3 F16 1.604(18) . ?
P3 F17 1.60(2) . ?
P3 F18 1.62(2) . ?
P2 F7 1.571(12) . ?
P2 F8 1.584(13) . ?
P2 F9 1.582(13) . ?
P2 F10 1.592(13) . ?
P2 F11 1.588(13) . ?
P2 F12 1.575(14) . ?
P4 F19 1.640(17) . ?
P4 F20 1.618(19) . ?
P4 F21 1.637(16) . ?
P4 F22 1.629(19) . ?
P4 F23 1.637(16) . ?
P4 F24 1.639(16) . ?
P4A F19A 1.64(2) . ?
P4A F20A 1.61(3) . ?
P4A F21A 1.64(2) . ?
P4A F22A 1.61(3) . ?
P4A F23A 1.66(2) . ?
P4A F24A 1.63(2) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C230 H23A 0.9900 . ?
C230 H23B 0.9900 . ?
C230 C231 1.530(19) . ?
C231 O5A 1.221(18) . ?
C231 N15A 1.367(17) . ?
N15A C232 1.456(17) . ?
N15A C235 1.467(17) . ?
C232 H23C 0.9900 . ?
C232 H23D 0.9900 . ?
C232 C233 1.507(19) . ?
C233 H23E 0.9900 . ?
C233 H23F 0.9900 . ?
C233 O6A 1.423(19) . ?
C235 H23G 0.9900 . ?
C235 H23H 0.9900 . ?
C235 C234 1.497(19) . ?
C234 H23I 0.9900 . ?
C234 H23J 0.9900 . ?
C234 O6A 1.430(19) . ?

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 C28 177.4(8) . . ?
C44 O2 C43 111(2) . . ?
C1 N1 C4 120.2(14) . . ?
C2 N1 C1 114.7(16) . . ?
C2 N1 C4 124.5(16) . . ?
C1 N2 C16 121.7(16) . . ?
C3 N2 C1 113.0(16) . . ?
C3 N2 C16 124.5(16) . . ?
C28 N3 C29 112.6(19) . . ?
C28 N3 C31 125.8(17) . . ?
C29 N3 C31 120.9(18) . . ?
C28 N4 C30 111(2) . . ?
C28 N4 C40 119.6(19) . . ?
C30 N4 C40 128.0(19) . . ?
C41 N5 C42 128(2) . . ?
C41 N5 C45 120(2) . . ?
C42 N5 C45 111(2) . . ?
N1 C1 Au1 130.1(13) . . ?
N2 C1 Au1 130.5(13) . . ?
N2 C1 N1 99.4(15) . . ?
N1 C2 H2 127.4 . . ?
C3 C2 N1 105.3(18) . . ?
C3 C2 H2 127.4 . . ?
N2 C3 H3 126.3 . . ?
C2 C3 N2 107.3(17) . . ?
C2 C3 H3 126.3 . . ?
C5 C4 N1 117.2(15) . . ?
C9 C4 N1 118.7(16) . . ?
C9 C4 C5 124.2(17) . . ?
C4 C5 C10 122.4(17) . . ?
C6 C5 C4 116.5(16) . . ?
C6 C5 C10 121.1(17) . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.2(19) . . ?
C7 C6 H6 119.9 . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.2(19) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 118.6 . . ?
C7 C8 C9 122.8(18) . . ?
C9 C8 H8 118.6 . . ?
C4 C9 C13 122.7(17) . . ?
C8 C9 C4 115.8(17) . . ?
C8 C9 C13 121.3(16) . . ?
C5 C10 H10 106.9 . . ?
C5 C10 C11 111.0(16) . . ?
C11 C10 H10 106.9 . . ?
C12 C10 C5 112.3(16) . . ?
C12 C10 H10 106.9 . . ?
C12 C10 C11 112.4(16) . . ?
C10 C11 H11M 109.5 . . ?
C10 C11 H11N 109.5 . . ?
C10 C11 H11O 109.5 . . ?
H11M C11 H11N 109.5 . . ?
H11M C11 H11O 109.5 . . ?
H11N C11 H11O 109.5 . . ?
C10 C12 H12J 109.5 . . ?
C10 C12 H12K 109.5 . . ?
C10 C12 H12L 109.5 . . ?
H12J C12 H12K 109.5 . . ?
H12J C12 H12L 109.5 . . ?
H12K C12 H12L 109.5 . . ?
C9 C13 H13 108.2 . . ?
C14 C13 C9 111.9(17) . . ?
C14 C13 H13 108.2 . . ?
C14 C13 C15 110.4(17) . . ?
C15 C13 C9 109.7(16) . . ?
C15 C13 H13 108.2 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 C21 118.8(17) . . ?
C17 C16 N2 120.9(17) . . ?
C17 C16 C21 120.2(18) . . ?
C16 C17 C18 119.7(17) . . ?
C16 C17 C22 120.3(17) . . ?
C18 C17 C22 120.0(16) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 121.0(18) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120(2) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 119.5 . . ?
C19 C20 C21 121(2) . . ?
C21 C20 H20 119.5 . . ?
C16 C21 C25 122.3(19) . . ?
C20 C21 C16 117.9(19) . . ?
C20 C21 C25 119.8(18) . . ?
C17 C22 H22 107.8 . . ?
C17 C22 C23 108.2(16) . . ?
C17 C22 C24 112.8(17) . . ?
C23 C22 H22 107.8 . . ?
C24 C22 H22 107.8 . . ?
C24 C22 C23 112.1(15) . . ?
C22 C23 H23K 109.5 . . ?
C22 C23 H23L 109.5 . . ?
C22 C23 H23M 109.5 . . ?
H23K C23 H23L 109.5 . . ?
H23K C23 H23M 109.5 . . ?
H23L C23 H23M 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25 108.8 . . ?
C26 C25 C21 109(2) . . ?
C26 C25 H25 108.8 . . ?
C27 C25 C21 110.3(18) . . ?
C27 C25 H25 108.8 . . ?
C27 C25 C26 111(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N3 C28 Au1 126.9(16) . . ?
N4 C28 Au1 130.3(18) . . ?
N4 C28 N3 102.4(19) . . ?
N3 C29 H29 127.6 . . ?
C30 C29 N3 105(2) . . ?
C30 C29 H29 127.6 . . ?
N4 C30 H30 125.5 . . ?
C29 C30 N4 109(2) . . ?
C29 C30 H30 125.5 . . ?
C32 C31 N3 119.9(17) . . ?
C36 C31 N3 119.9(18) . . ?
C36 C31 C32 120(2) . . ?
C31 C32 C37 119(2) . . ?
C33 C32 C31 118(2) . . ?
C33 C32 C37 123(2) . . ?
C32 C33 H33 117.6 . . ?
C32 C33 C34 125(2) . . ?
C34 C33 H33 117.6 . . ?
C33 C34 C35 117(2) . . ?
C33 C34 C38 122.5(19) . . ?
C35 C34 C38 120.7(19) . . ?
C34 C35 H35 119.1 . . ?
C36 C35 C34 122(2) . . ?
C36 C35 H35 119.1 . . ?
C31 C36 C35 119(2) . . ?
C31 C36 C39 118(2) . . ?
C35 C36 C39 123.3(19) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N4 C40 H40A 109.9 . . ?
N4 C40 H40B 109.9 . . ?
N4 C40 C41 108.9(19) . . ?
H40A C40 H40B 108.3 . . ?
C41 C40 H40A 109.9 . . ?
C41 C40 H40B 109.9 . . ?
O1 C41 N5 125(2) . . ?
O1 C41 C40 119(2) . . ?
N5 C41 C40 116(2) . . ?
N5 C42 H42A 110.4 . . ?
N5 C42 H42B 110.4 . . ?
N5 C42 C43 107(2) . . ?
H42A C42 H42B 108.6 . . ?
C43 C42 H42A 110.4 . . ?
C43 C42 H42B 110.4 . . ?
O2 C43 C42 113(2) . . ?
O2 C43 H43A 109.0 . . ?
O2 C43 H43B 109.0 . . ?
C42 C43 H43A 109.0 . . ?
C42 C43 H43B 109.0 . . ?
H43A C43 H43B 107.8 . . ?
O2 C44 H44A 109.4 . . ?
O2 C44 H44B 109.4 . . ?
O2 C44 C45 111(3) . . ?
H44A C44 H44B 108.0 . . ?
C45 C44 H44A 109.4 . . ?
C45 C44 H44B 109.4 . . ?
N5 C45 H45A 109.1 . . ?
N5 C45 H45B 109.1 . . ?
C44 C45 N5 112(2) . . ?
C44 C45 H45A 109.1 . . ?
C44 C45 H45B 109.1 . . ?
H45A C45 H45B 107.9 . . ?
C118 Au3 C91 178.5(8) . . ?
C133 O6 C134 109(2) . . ?
C91 N11 C92 106.4(16) . . ?
C91 N11 C94 125.8(16) . . ?
C92 N11 C94 127.7(17) . . ?
C91 N12 C93 111.5(17) . . ?
C91 N12 C106 122.9(18) . . ?
C93 N12 C106 125.3(17) . . ?
C118 N13 C120 110(2) . . ?
C118 N13 C121 123.3(19) . . ?
C120 N13 C121 126(2) . . ?
C118 N14 C130 111(6) . . ?
C118 N14 C230 125(3) . . ?
C119 N14 C118 112(2) . . ?
C119 N14 C130 137(6) . . ?
C119 N14 C230 123(3) . . ?
C131 N15 C132 122(2) . . ?
C131 N15 C135 122(2) . . ?
C132 N15 C135 114.8(17) . . ?
N11 C91 Au3 125.1(14) . . ?
N12 C91 Au3 129.2(15) . . ?
N12 C91 N11 105.7(17) . . ?
N11 C92 H92 125.2 . . ?
C93 C92 N11 110(2) . . ?
C93 C92 H92 125.2 . . ?
N12 C93 H93 126.6 . . ?
C92 C93 N12 106.8(19) . . ?
C92 C93 H93 126.6 . . ?
C95 C94 N11 118.1(16) . . ?
C95 C94 C99 123.3(18) . . ?
C99 C94 N11 118.6(16) . . ?
C94 C95 C96 118.3(18) . . ?
C94 C95 C100 122.2(18) . . ?
C96 C95 C100 119.4(17) . . ?
C95 C96 H96 119.5 . . ?
C97 C96 C95 121.0(18) . . ?
C97 C96 H96 119.5 . . ?
C96 C97 H97 120.0 . . ?
C96 C97 C98 120(2) . . ?
C98 C97 H97 120.0 . . ?
C97 C98 H98 120.1 . . ?
C97 C98 C99 119.8(19) . . ?
C99 C98 H98 120.1 . . ?
C94 C99 C98 117.3(18) . . ?
C94 C99 C103 122.6(18) . . ?
C98 C99 C103 120.1(17) . . ?
C95 C100 H100 107.5 . . ?
C101 C100 C95 111.4(17) . . ?
C101 C100 H100 107.5 . . ?
C101 C100 C102 116.0(19) . . ?
C102 C100 C95 106.7(16) . . ?
C102 C100 H100 107.5 . . ?
C100 C101 H10A 109.5 . . ?
C100 C101 H10B 109.5 . . ?
C100 C101 H10C 109.5 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C100 C102 H10D 109.5 . . ?
C100 C102 H10E 109.5 . . ?
C100 C102 H10F 109.5 . . ?
H10D C102 H10E 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C99 C103 H103 108.1 . . ?
C99 C103 C104 112.5(18) . . ?
C99 C103 C105 109.8(17) . . ?
C104 C103 H103 108.1 . . ?
C104 C103 C105 110.2(17) . . ?
C105 C103 H103 108.1 . . ?
C103 C104 H10G 109.5 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10G C104 H10H 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C103 C105 H10J 109.5 . . ?
C103 C105 H10K 109.5 . . ?
C103 C105 H10L 109.5 . . ?
H10J C105 H10K 109.5 . . ?
H10J C105 H10L 109.5 . . ?
H10K C105 H10L 109.5 . . ?
C107 C106 N12 117.3(19) . . ?
C111 C106 N12 119.9(19) . . ?
C111 C106 C107 122(2) . . ?
C106 C107 C108 117(2) . . ?
C106 C107 C112 125(2) . . ?
C108 C107 C112 118(2) . . ?
C107 C108 H108 119.7 . . ?
C109 C108 C107 121(2) . . ?
C109 C108 H108 119.7 . . ?
C108 C109 H109 120.1 . . ?
C110 C109 C108 120(3) . . ?
C110 C109 H109 120.1 . . ?
C109 C110 H110 118.9 . . ?
C109 C110 C111 122(2) . . ?
C111 C110 H110 118.9 . . ?
C106 C111 C110 117(2) . . ?
C106 C111 C115 121(2) . . ?
C110 C111 C115 121(2) . . ?
C107 C112 H112 106.2 . . ?
C113 C112 C107 110.9(17) . . ?
C113 C112 H112 106.2 . . ?
C113 C112 C114 112.8(18) . . ?
C114 C112 C107 114(2) . . ?
C114 C112 H112 106.2 . . ?
C112 C113 H11A 109.5 . . ?
C112 C113 H11B 109.5 . . ?
C112 C113 H11C 109.5 . . ?
H11A C113 H11B 109.5 . . ?
H11A C113 H11C 109.5 . . ?
H11B C113 H11C 109.5 . . ?
C112 C114 H11D 109.5 . . ?
C112 C114 H11E 109.5 . . ?
C112 C114 H11F 109.5 . . ?
H11D C114 H11E 109.5 . . ?
H11D C114 H11F 109.5 . . ?
H11E C114 H11F 109.5 . . ?
C111 C115 H115 109.0 . . ?
C111 C115 C116 113(3) . . ?
C111 C115 C117 108(2) . . ?
C116 C115 H115 109.0 . . ?
C117 C115 H115 109.0 . . ?
C117 C115 C116 109(2) . . ?
C115 C116 H11G 109.5 . . ?
C115 C116 H11H 109.5 . . ?
C115 C116 H11I 109.5 . . ?
H11G C116 H11H 109.5 . . ?
H11G C116 H11I 109.5 . . ?
H11H C116 H11I 109.5 . . ?
C115 C117 H11J 109.5 . . ?
C115 C117 H11K 109.5 . . ?
C115 C117 H11L 109.5 . . ?
H11J C117 H11K 109.5 . . ?
H11J C117 H11L 109.5 . . ?
H11K C117 H11L 109.5 . . ?
N13 C118 Au3 130.3(17) . . ?
N13 C118 N14 101.6(19) . . ?
N14 C118 Au3 128.1(18) . . ?
N14 C119 H119 126.0 . . ?
C120 C119 N14 108(3) . . ?
C120 C119 H119 126.0 . . ?
N13 C120 H120 125.6 . . ?
C119 C120 N13 109(3) . . ?
C119 C120 H120 125.6 . . ?
C122 C121 N13 116(2) . . ?
C122 C121 C126 124(2) . . ?
C126 C121 N13 120(2) . . ?
C121 C122 C123 117(2) . . ?
C121 C122 C127 125(2) . . ?
C123 C122 C127 117(2) . . ?
C122 C123 H123 120.5 . . ?
C122 C123 C124 119(2) . . ?
C124 C123 H123 120.5 . . ?
C123 C124 C128 117(2) . . ?
C125 C124 C123 120(2) . . ?
C125 C124 C128 123(2) . . ?
C124 C125 H125 118.6 . . ?
C126 C125 C124 123(2) . . ?
C126 C125 H125 118.6 . . ?
C121 C126 C129 121(2) . . ?
C125 C126 C121 117(2) . . ?
C125 C126 C129 122(2) . . ?
C122 C127 H12A 109.5 . . ?
C122 C127 H12B 109.5 . . ?
C122 C127 H12C 109.5 . . ?
H12A C127 H12B 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C124 C128 H12D 109.5 . . ?
C124 C128 H12E 109.5 . . ?
C124 C128 H12F 109.5 . . ?
H12D C128 H12E 109.5 . . ?
H12D C128 H12F 109.5 . . ?
H12E C128 H12F 109.5 . . ?
C126 C129 H12G 109.5 . . ?
C126 C129 H12H 109.5 . . ?
C126 C129 H12I 109.5 . . ?
H12G C129 H12H 109.5 . . ?
H12G C129 H12I 109.5 . . ?
H12H C129 H12I 109.5 . . ?
N14 C130 H13A 109.7 . . ?
N14 C130 H13B 109.7 . . ?
N14 C130 C131 110(4) . . ?
H13A C130 H13B 108.2 . . ?
C131 C130 H13A 109.7 . . ?
C131 C130 H13B 109.7 . . ?
O5 C131 N15 123(4) . . ?
O5 C131 C130 120(4) . . ?
N15 C131 C130 115(4) . . ?
N15 C132 H13C 108.5 . . ?
N15 C132 H13D 108.5 . . ?
N15 C132 C133 115(3) . . ?
H13C C132 H13D 107.5 . . ?
C133 C132 H13C 108.4 . . ?
C133 C132 H13D 108.5 . . ?
O6 C133 C132 113(3) . . ?
O6 C133 H13E 109.1 . . ?
O6 C133 H13F 109.0 . . ?
C132 C133 H13E 109.0 . . ?
C132 C133 H13F 109.0 . . ?
H13E C133 H13F 107.8 . . ?
O6 C134 H13G 110.7 . . ?
O6 C134 H13H 110.7 . . ?
O6 C134 C135 105(3) . . ?
H13G C134 H13H 108.8 . . ?
C135 C134 H13G 110.7 . . ?
C135 C134 H13H 110.6 . . ?
N15 C135 C134 110(3) . . ?
N15 C135 H13I 109.7 . . ?
N15 C135 H13J 109.7 . . ?
C134 C135 H13I 109.7 . . ?
C134 C135 H13J 109.6 . . ?
H13I C135 H13J 108.2 . . ?
C46 Au2 C73 177.0(8) . . ?
C88 O4 C89 111.1(19) . . ?
C46 N6 C47 112.4(16) . . ?
C46 N6 C49 120.3(15) . . ?
C47 N6 C49 127.3(16) . . ?
C46 N7 C61 123.7(15) . . ?
C48 N7 C46 111.2(16) . . ?
C48 N7 C61 125.0(16) . . ?
C73 N8 C76 126.5(17) . . ?
C74 N8 C73 111.8(17) . . ?
C74 N8 C76 121.1(16) . . ?
C73 N9 C75 114.5(17) . . ?
C73 N9 C85 121.4(17) . . ?
C75 N9 C85 123.8(18) . . ?
C86 N10 C87 123.2(19) . . ?
C86 N10 C90 125.2(18) . . ?
C87 N10 C90 111.3(18) . . ?
N6 C46 Au2 128.5(13) . . ?
N6 C46 N7 101.8(15) . . ?
N7 C46 Au2 129.7(13) . . ?
N6 C47 H47 126.4 . . ?
C48 C47 N6 107.2(18) . . ?
C48 C47 H47 126.4 . . ?
N7 C48 H48 126.3 . . ?
C47 C48 N7 107.4(17) . . ?
C47 C48 H48 126.3 . . ?
C50 C49 N6 119.8(16) . . ?
C50 C49 C54 123.7(18) . . ?
C54 C49 N6 116.3(16) . . ?
C49 C50 C51 118.9(16) . . ?
C49 C50 C55 120.4(17) . . ?
C51 C50 C55 120.5(16) . . ?
C50 C51 H51 120.4 . . ?
C52 C51 C50 119.3(17) . . ?
C52 C51 H51 120.4 . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 120.1(17) . . ?
C53 C52 H52 120.0 . . ?
C52 C53 H53 119.1 . . ?
C54 C53 C52 121.8(17) . . ?
C54 C53 H53 119.1 . . ?
C49 C54 C58 121.7(17) . . ?
C53 C54 C49 115.8(17) . . ?
C53 C54 C58 122.0(16) . . ?
C50 C55 H55 109.2 . . ?
C50 C55 C56 110.2(16) . . ?
C56 C55 H55 109.2 . . ?
C57 C55 C50 111.9(17) . . ?
C57 C55 H55 109.2 . . ?
C57 C55 C56 106.9(17) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C54 C58 H58 109.9 . . ?
C54 C58 C59 110.7(16) . . ?
C54 C58 C60 107.1(16) . . ?
C59 C58 H58 109.9 . . ?
C59 C58 C60 109.2(16) . . ?
C60 C58 H58 109.9 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 N7 119.7(16) . . ?
C62 C61 C66 121.2(17) . . ?
C66 C61 N7 119.0(16) . . ?
C61 C62 C63 117.9(16) . . ?
C61 C62 C67 122.8(18) . . ?
C63 C62 C67 119.1(16) . . ?
C62 C63 H63 119.3 . . ?
C64 C63 C62 121.3(18) . . ?
C64 C63 H63 119.3 . . ?
C63 C64 H64 120.3 . . ?
C63 C64 C65 119(2) . . ?
C65 C64 H64 120.3 . . ?
C64 C65 H65 119.3 . . ?
C64 C65 C66 121.4(19) . . ?
C66 C65 H65 119.3 . . ?
C61 C66 C70 122.5(17) . . ?
C65 C66 C61 118.6(17) . . ?
C65 C66 C70 118.9(16) . . ?
C62 C67 H67 106.6 . . ?
C62 C67 C68 110.9(17) . . ?
C62 C67 C69 115.5(17) . . ?
C68 C67 H67 106.6 . . ?
C69 C67 H67 106.6 . . ?
C69 C67 C68 110(2) . . ?
C66 C70 H70 107.2 . . ?
C71 C70 C66 109.3(18) . . ?
C71 C70 H70 107.2 . . ?
C72 C70 C66 109.2(16) . . ?
C72 C70 H70 107.2 . . ?
C72 C70 C71 116.3(19) . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C70 C72 H72A 109.5 . . ?
C70 C72 H72B 109.5 . . ?
C70 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
N8 C73 Au2 130.7(15) . . ?
N9 C73 Au2 127.8(14) . . ?
N9 C73 N8 101.3(17) . . ?
N8 C74 H74 126.1 . . ?
C75 C74 N8 107.8(18) . . ?
C75 C74 H74 126.1 . . ?
N9 C75 H75 127.8 . . ?
C74 C75 N9 104.4(18) . . ?
C74 C75 H75 127.8 . . ?
N8 C76 C77 118.0(17) . . ?
C81 C76 N8 120.5(16) . . ?
C81 C76 C77 121.4(18) . . ?
C76 C77 C82 120.7(19) . . ?
C78 C77 C76 116.6(19) . . ?
C78 C77 C82 122.7(19) . . ?
C77 C78 H78 119.2 . . ?
C77 C78 C79 122(2) . . ?
C79 C78 H78 119.2 . . ?
C78 C79 C83 121(2) . . ?
C80 C79 C78 121(2) . . ?
C80 C79 C83 118(2) . . ?
C79 C80 H80 119.7 . . ?
C79 C80 C81 121(2) . . ?
C81 C80 H80 119.7 . . ?
C76 C81 C80 118.6(18) . . ?
C76 C81 C84 119.8(19) . . ?
C80 C81 C84 121.5(19) . . ?
C77 C82 H82A 109.5 . . ?
C77 C82 H82B 109.5 . . ?
C77 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C79 C83 H83A 109.5 . . ?
C79 C83 H83B 109.5 . . ?
C79 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C81 C84 H84A 109.5 . . ?
C81 C84 H84B 109.5 . . ?
C81 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
N9 C85 H85A 110.5 . . ?
N9 C85 H85B 110.5 . . ?
N9 C85 C86 106.2(15) . . ?
H85A C85 H85B 108.7 . . ?
C86 C85 H85A 110.5 . . ?
C86 C85 H85B 110.5 . . ?
O3 C86 N10 122.2(19) . . ?
O3 C86 C85 120.1(18) . . ?
N10 C86 C85 117.4(17) . . ?
N10 C87 H87A 110.2 . . ?
N10 C87 H87B 110.2 . . ?
N10 C87 C88 108(2) . . ?
H87A C87 H87B 108.5 . . ?
C88 C87 H87A 110.2 . . ?
C88 C87 H87B 110.2 . . ?
O4 C88 C87 109(2) . . ?
O4 C88 H88A 109.8 . . ?
O4 C88 H88B 109.8 . . ?
C87 C88 H88A 109.8 . . ?
C87 C88 H88B 109.8 . . ?
H88A C88 H88B 108.3 . . ?
O4 C89 H89A 110.1 . . ?
O4 C89 H89B 110.1 . . ?
O4 C89 C90 107.8(19) . . ?
H89A C89 H89B 108.5 . . ?
C90 C89 H89A 110.1 . . ?
C90 C89 H89B 110.1 . . ?
N10 C90 C89 107.2(18) . . ?
N10 C90 H90A 110.3 . . ?
N10 C90 H90B 110.3 . . ?
C89 C90 H90A 110.3 . . ?
C89 C90 H90B 110.3 . . ?
H90A C90 H90B 108.5 . . ?
C163 Au4 C136 178.0(8) . . ?
C179 O8 C178 109(2) . . ?
C136 N16 C139 125.0(15) . . ?
C137 N16 C136 109.4(16) . . ?
C137 N16 C139 125.1(16) . . ?
C136 N17 C138 110.5(17) . . ?
C136 N17 C151 124.9(17) . . ?
C138 N17 C151 124.6(16) . . ?
C163 N18 C166 121.2(17) . . ?
C164 N18 C163 112(2) . . ?
C164 N18 C166 126.4(19) . . ?
C163 N19 C175 118.6(19) . . ?
C165 N19 C163 114(2) . . ?
C165 N19 C175 126(2) . . ?
C176 N20 C177 124(3) . . ?
C176 N20 C180 123(3) . . ?
C180 N20 C177 113(2) . . ?
N16 C136 Au4 126.5(13) . . ?
N17 C136 Au4 128.5(14) . . ?
N17 C136 N16 104.9(17) . . ?
N16 C137 H137 126.8 . . ?
C138 C137 N16 106.5(18) . . ?
C138 C137 H137 126.8 . . ?
N17 C138 H138 125.6 . . ?
C137 C138 N17 108.8(17) . . ?
C137 C138 H138 125.6 . . ?
C140 C139 N16 119.4(16) . . ?
C140 C139 C144 123.0(18) . . ?
C144 C139 N16 117.5(16) . . ?
C139 C140 C145 122.7(18) . . ?
C141 C140 C139 116.9(18) . . ?
C141 C140 C145 120.2(17) . . ?
C140 C141 H141 119.0 . . ?
C142 C141 C140 122(2) . . ?
C142 C141 H141 119.0 . . ?
C141 C142 H142 118.8 . . ?
C141 C142 C143 122(2) . . ?
C143 C142 H142 118.8 . . ?
C142 C143 H143 120.6 . . ?
C144 C143 C142 119(2) . . ?
C144 C143 H143 120.6 . . ?
C139 C144 C148 120.3(18) . . ?
C143 C144 C139 116.8(18) . . ?
C143 C144 C148 122.9(19) . . ?
C140 C145 H145 106.5 . . ?
C146 C145 C140 110.3(17) . . ?
C146 C145 H145 106.5 . . ?
C146 C145 C147 114.2(17) . . ?
C147 C145 C140 112.4(17) . . ?
C147 C145 H145 106.5 . . ?
C145 C146 H14D 109.5 . . ?
C145 C146 H14E 109.5 . . ?
C145 C146 H14F 109.5 . . ?
H14D C146 H14E 109.5 . . ?
H14D C146 H14F 109.5 . . ?
H14E C146 H14F 109.5 . . ?
C145 C147 H14G 109.5 . . ?
C145 C147 H14H 109.5 . . ?
C145 C147 H14I 109.5 . . ?
H14G C147 H14H 109.5 . . ?
H14G C147 H14I 109.5 . . ?
H14H C147 H14I 109.5 . . ?
C144 C148 H148 108.8 . . ?
C144 C148 C149 108.2(17) . . ?
C149 C148 H148 108.8 . . ?
C150 C148 C144 112.5(18) . . ?
C150 C148 H148 108.8 . . ?
C150 C148 C149 109.6(18) . . ?
C148 C149 H14J 109.5 . . ?
C148 C149 H14K 109.5 . . ?
C148 C149 H14L 109.5 . . ?
H14J C149 H14K 109.5 . . ?
H14J C149 H14L 109.5 . . ?
H14K C149 H14L 109.5 . . ?
C148 C150 H15D 109.5 . . ?
C148 C150 H15E 109.5 . . ?
C148 C150 H15F 109.5 . . ?
H15D C150 H15E 109.5 . . ?
H15D C150 H15F 109.5 . . ?
H15E C150 H15F 109.5 . . ?
C152 C151 N17 119.2(18) . . ?
C152 C151 C156 123(2) . . ?
C156 C151 N17 118.1(19) . . ?
C151 C152 C153 120.0(19) . . ?
C151 C152 C157 119.8(19) . . ?
C153 C152 C157 120.1(18) . . ?
C152 C153 H153 120.8 . . ?
C154 C153 C152 118(2) . . ?
C154 C153 H153 120.8 . . ?
C153 C154 H154 118.9 . . ?
C153 C154 C155 122(2) . . ?
C155 C154 H154 118.9 . . ?
C154 C155 H155 120.1 . . ?
C154 C155 C156 120(2) . . ?
C156 C155 H155 120.1 . . ?
C151 C156 C155 117(2) . . ?
C151 C156 C160 125(2) . . ?
C155 C156 C160 118.5(19) . . ?
C152 C157 H157 110.1 . . ?
C158 C157 C152 109.4(18) . . ?
C158 C157 H157 110.1 . . ?
C159 C157 C152 108(2) . . ?
C159 C157 H157 110.1 . . ?
C159 C157 C158 109(2) . . ?
C157 C158 H15G 109.5 . . ?
C157 C158 H15H 109.5 . . ?
C157 C158 H15I 109.5 . . ?
H15G C158 H15H 109.5 . . ?
H15G C158 H15I 109.5 . . ?
H15H C158 H15I 109.5 . . ?
C157 C159 H15J 109.5 . . ?
C157 C159 H15K 109.5 . . ?
C157 C159 H15L 109.5 . . ?
H15J C159 H15K 109.5 . . ?
H15J C159 H15L 109.5 . . ?
H15K C159 H15L 109.5 . . ?
C156 C160 H160 108.5 . . ?
C161 C160 C156 113(2) . . ?
C161 C160 H160 108.5 . . ?
C161 C160 C162 111(2) . . ?
C162 C160 C156 108(2) . . ?
C162 C160 H160 108.5 . . ?
C160 C161 H16A 109.5 . . ?
C160 C161 H16B 109.5 . . ?
C160 C161 H16C 109.5 . . ?
H16A C161 H16B 109.5 . . ?
H16A C161 H16C 109.5 . . ?
H16B C161 H16C 109.5 . . ?
C160 C162 H16D 109.5 . . ?
C160 C162 H16E 109.5 . . ?
C160 C162 H16F 109.5 . . ?
H16D C162 H16E 109.5 . . ?
H16D C162 H16F 109.5 . . ?
H16E C162 H16F 109.5 . . ?
N18 C163 Au4 129.0(16) . . ?
N19 C163 Au4 130.9(17) . . ?
N19 C163 N18 100.1(18) . . ?
N18 C164 H164 128.0 . . ?
C165 C164 N18 104(2) . . ?
C165 C164 H164 128.0 . . ?
N19 C165 C164 109(2) . . ?
N19 C165 H165 125.3 . . ?
C164 C165 H165 125.3 . . ?
C167 C166 N18 119(2) . . ?
C167 C166 C171 122(2) . . ?
C171 C166 N18 118.0(18) . . ?
C166 C167 C168 120(2) . . ?
C166 C167 C172 122(2) . . ?
C168 C167 C172 118(2) . . ?
C167 C168 H168 119.1 . . ?
C169 C168 C167 122(2) . . ?
C169 C168 H168 119.1 . . ?
C168 C169 C170 116(2) . . ?
C168 C169 C173 124(2) . . ?
C170 C169 C173 120(2) . . ?
C169 C170 H170 119.0 . . ?
C171 C170 C169 122(2) . . ?
C171 C170 H170 119.0 . . ?
C166 C171 C174 122(2) . . ?
C170 C171 C166 117(2) . . ?
C170 C171 C174 121(2) . . ?
C167 C172 H17A 109.5 . . ?
C167 C172 H17B 109.5 . . ?
C167 C172 H17C 109.5 . . ?
H17A C172 H17B 109.5 . . ?
H17A C172 H17C 109.5 . . ?
H17B C172 H17C 109.5 . . ?
C169 C173 H17D 109.5 . . ?
C169 C173 H17E 109.5 . . ?
C169 C173 H17F 109.5 . . ?
H17D C173 H17E 109.5 . . ?
H17D C173 H17F 109.5 . . ?
H17E C173 H17F 109.5 . . ?
C171 C174 H17G 109.5 . . ?
C171 C174 H17H 109.5 . . ?
C171 C174 H17I 109.5 . . ?
H17G C174 H17H 109.5 . . ?
H17G C174 H17I 109.5 . . ?
H17H C174 H17I 109.5 . . ?
N19 C175 H17J 110.0 . . ?
N19 C175 H17K 110.0 . . ?
N19 C175 C176 108(2) . . ?
H17J C175 H17K 108.4 . . ?
C176 C175 H17J 110.0 . . ?
C176 C175 H17K 110.0 . . ?
O7 C176 N20 124(3) . . ?
O7 C176 C175 120(3) . . ?
N20 C176 C175 116(3) . . ?
N20 C177 H17L 109.8 . . ?
N20 C177 H17M 109.8 . . ?
N20 C177 C178 109(3) . . ?
H17L C177 H17M 108.3 . . ?
C178 C177 H17L 109.8 . . ?
C178 C177 H17M 109.8 . . ?
O8 C178 C177 107(3) . . ?
O8 C178 H17N 110.4 . . ?
O8 C178 H17O 110.4 . . ?
C177 C178 H17N 110.4 . . ?
C177 C178 H17O 110.4 . . ?
H17N C178 H17O 108.6 . . ?
O8 C179 H17P 110.0 . . ?
O8 C179 H17Q 110.0 . . ?
O8 C179 C180 108(3) . . ?
H17P C179 H17Q 108.4 . . ?
C180 C179 H17P 110.0 . . ?
C180 C179 H17Q 110.0 . . ?
N20 C180 C179 108(3) . . ?
N20 C180 H18A 110.0 . . ?
N20 C180 H18B 110.0 . . ?
C179 C180 H18A 110.0 . . ?
C179 C180 H18B 110.0 . . ?
H18A C180 H18B 108.4 . . ?
F1 P1 F3 88.6(7) . . ?
F1 P1 F4 91.1(8) . . ?
F1 P1 F5 90.8(7) . . ?
F1 P1 F6 89.4(9) . . ?
F2 P1 F1 179.1(8) . . ?
F2 P1 F3 90.8(7) . . ?
F2 P1 F4 89.5(8) . . ?
F2 P1 F5 89.9(8) . . ?
F2 P1 F6 90.0(9) . . ?
F3 P1 F5 178.7(8) . . ?
F4 P1 F3 90.4(7) . . ?
F4 P1 F5 88.5(8) . . ?
F6 P1 F3 89.4(8) . . ?
F6 P1 F4 179.4(11) . . ?
F6 P1 F5 91.7(8) . . ?
F13 P3 F15 90.5(10) . . ?
F13 P3 F16 91.2(9) . . ?
F13 P3 F18 88.1(11) . . ?
F14 P3 F13 179.1(11) . . ?
F14 P3 F15 89.4(11) . . ?
F14 P3 F16 89.7(10) . . ?
F14 P3 F17 90.0(11) . . ?
F14 P3 F18 91.0(10) . . ?
F16 P3 F15 92.0(10) . . ?
F16 P3 F18 177.6(12) . . ?
F17 P3 F13 90.0(11) . . ?
F17 P3 F15 178.2(11) . . ?
F17 P3 F16 89.7(11) . . ?
F17 P3 F18 88.0(10) . . ?
F18 P3 F15 90.4(11) . . ?
F7 P2 F8 178.6(9) . . ?
F7 P2 F9 90.6(7) . . ?
F7 P2 F10 90.5(8) . . ?
F7 P2 F11 90.1(8) . . ?
F7 P2 F12 87.9(8) . . ?
F8 P2 F10 90.4(9) . . ?
F9 P2 F8 90.5(7) . . ?
F9 P2 F10 89.9(7) . . ?
F9 P2 F11 179.2(8) . . ?
F11 P2 F8 88.8(7) . . ?
F11 P2 F10 89.8(8) . . ?
F12 P2 F8 91.2(9) . . ?
F12 P2 F9 89.2(8) . . ?
F12 P2 F10 178.2(9) . . ?
F12 P2 F11 91.1(8) . . ?
F20 P4 F19 179.5(17) . . ?
F20 P4 F21 89.7(13) . . ?
F20 P4 F22 90.9(13) . . ?
F20 P4 F23 90.3(12) . . ?
F20 P4 F24 90.1(13) . . ?
F21 P4 F19 90.2(12) . . ?
F21 P4 F23 179.5(16) . . ?
F21 P4 F24 90.5(13) . . ?
F22 P4 F19 89.6(13) . . ?
F22 P4 F21 90.1(12) . . ?
F22 P4 F23 89.4(12) . . ?
F22 P4 F24 178.9(16) . . ?
F23 P4 F19 89.8(13) . . ?
F23 P4 F24 90.1(12) . . ?
F24 P4 F19 89.5(13) . . ?
F19A P4A F21A 83(2) . . ?
F19A P4A F23A 91(2) . . ?
F20A P4A F19A 171(3) . . ?
F20A P4A F21A 96(2) . . ?
F20A P4A F23A 90(2) . . ?
F20A P4A F24A 97(2) . . ?
F21A P4A F23A 174(3) . . ?
F22A P4A F19A 82(2) . . ?
F22A P4A F20A 88(2) . . ?
F22A P4A F21A 87(3) . . ?
F22A P4A F23A 92(3) . . ?
F22A P4A F24A 174(3) . . ?
F24A P4A F19A 92(2) . . ?
F24A P4A F21A 90(2) . . ?
F24A P4A F23A 90(2) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N14 C230 H23A 109.7 . . ?
N14 C230 H23B 109.7 . . ?
N14 C230 C231 110(2) . . ?
H23A C230 H23B 108.2 . . ?
C231 C230 H23A 109.7 . . ?
C231 C230 H23B 109.7 . . ?
O5A C231 C230 117(2) . . ?
O5A C231 N15A 124(2) . . ?
N15A C231 C230 119(2) . . ?
C231 N15A C232 122.6(17) . . ?
C231 N15A C235 123.4(17) . . ?
C232 N15A C235 113.4(15) . . ?
N15A C232 H23C 109.5 . . ?
N15A C232 H23D 109.5 . . ?
N15A C232 C233 110.7(18) . . ?
H23C C232 H23D 108.1 . . ?
C233 C232 H23C 109.5 . . ?
C233 C232 H23D 109.5 . . ?
C232 C233 H23E 109.5 . . ?
C232 C233 H23F 109.5 . . ?
H23E C233 H23F 108.0 . . ?
O6A C233 C232 110.9(19) . . ?
O6A C233 H23E 109.5 . . ?
O6A C233 H23F 109.5 . . ?
N15A C235 H23G 109.8 . . ?
N15A C235 H23H 109.8 . . ?
N15A C235 C234 109.4(19) . . ?
H23G C235 H23H 108.2 . . ?
C234 C235 H23G 109.8 . . ?
C234 C235 H23H 109.8 . . ?
C235 C234 H23I 109.8 . . ?
C235 C234 H23J 109.8 . . ?
H23I C234 H23J 108.2 . . ?
O6A C234 C235 109.5(19) . . ?
O6A C234 H23I 109.8 . . ?
O6A C234 H23J 109.8 . . ?
C233 O6A C234 109.1(17) . . ?

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
O2 C44 C45 N5 -57(3) . . . . ?
N1 C2 C3 N2 -2(2) . . . . ?
N1 C4 C5 C6 178.5(17) . . . . ?
N1 C4 C5 C10 -1(3) . . . . ?
N1 C4 C9 C8 178.9(17) . . . . ?
N1 C4 C9 C13 4(3) . . . . ?
N2 C16 C17 C18 175.6(17) . . . . ?
N2 C16 C17 C22 -5(3) . . . . ?
N2 C16 C21 C20 -175.3(19) . . . . ?
N2 C16 C21 C25 5(3) . . . . ?
N3 C29 C30 N4 0(3) . . . . ?
N3 C31 C32 C33 -174.6(19) . . . . ?
N3 C31 C32 C37 8(3) . . . . ?
N3 C31 C36 C35 172.3(18) . . . . ?
N3 C31 C36 C39 -4(3) . . . . ?
N4 C40 C41 O1 2(3) . . . . ?
N4 C40 C41 N5 -178(2) . . . . ?
N5 C42 C43 O2 55(3) . . . . ?
C1 N1 C2 C3 -1(2) . . . . ?
C1 N1 C4 C5 -84(2) . . . . ?
C1 N1 C4 C9 97(2) . . . . ?
C1 N2 C3 C2 5(2) . . . . ?
C1 N2 C16 C17 82(2) . . . . ?
C1 N2 C16 C21 -102(2) . . . . ?
C2 N1 C1 Au1 -177.9(13) . . . . ?
C2 N1 C1 N2 3.1(18) . . . . ?
C2 N1 C4 C5 87(2) . . . . ?
C2 N1 C4 C9 -92(2) . . . . ?
C3 N2 C1 Au1 176.5(14) . . . . ?
C3 N2 C1 N1 -4.6(18) . . . . ?
C3 N2 C16 C17 -87(3) . . . . ?
C3 N2 C16 C21 89(2) . . . . ?
C4 N1 C1 Au1 -6(2) . . . . ?
C4 N1 C1 N2 175.0(14) . . . . ?
C4 N1 C2 C3 -172.1(16) . . . . ?
C4 C5 C6 C7 0(3) . . . . ?
C4 C5 C10 C11 -121(2) . . . . ?
C4 C5 C10 C12 112(2) . . . . ?
C4 C9 C13 C14 -142(2) . . . . ?
C4 C9 C13 C15 95(2) . . . . ?
C5 C4 C9 C8 0(3) . . . . ?
C5 C4 C9 C13 -175.2(17) . . . . ?
C5 C6 C7 C8 4(3) . . . . ?
C6 C5 C10 C11 59(2) . . . . ?
C6 C5 C10 C12 -68(2) . . . . ?
C6 C7 C8 C9 -7(3) . . . . ?
C7 C8 C9 C4 5(3) . . . . ?
C7 C8 C9 C13 -180.0(19) . . . . ?
C8 C9 C13 C14 44(3) . . . . ?
C8 C9 C13 C15 -79(2) . . . . ?
C9 C4 C5 C6 -2(3) . . . . ?
C9 C4 C5 C10 178.3(19) . . . . ?
C10 C5 C6 C7 179.7(18) . . . . ?
C16 N2 C1 Au1 6(2) . . . . ?
C16 N2 C1 N1 -174.8(15) . . . . ?
C16 N2 C3 C2 174.5(18) . . . . ?
C16 C17 C18 C19 0(3) . . . . ?
C16 C17 C22 C23 108(2) . . . . ?
C16 C17 C22 C24 -127(2) . . . . ?
C16 C21 C25 C26 125(2) . . . . ?
C16 C21 C25 C27 -113(2) . . . . ?
C17 C16 C21 C20 1(3) . . . . ?
C17 C16 C21 C25 -179(2) . . . . ?
C17 C18 C19 C20 -1(3) . . . . ?
C18 C17 C22 C23 -73(2) . . . . ?
C18 C17 C22 C24 52(2) . . . . ?
C18 C19 C20 C21 2(4) . . . . ?
C19 C20 C21 C16 -1(3) . . . . ?
C19 C20 C21 C25 178(2) . . . . ?
C20 C21 C25 C26 -54(3) . . . . ?
C20 C21 C25 C27 68(3) . . . . ?
C21 C16 C17 C18 0(3) . . . . ?
C21 C16 C17 C22 179.0(17) . . . . ?
C22 C17 C18 C19 -178.6(18) . . . . ?
C28 N3 C29 C30 0(3) . . . . ?
C28 N3 C31 C32 -96(2) . . . . ?
C28 N3 C31 C36 90(2) . . . . ?
C28 N4 C30 C29 0(3) . . . . ?
C28 N4 C40 C41 -77(2) . . . . ?
C29 N3 C28 Au1 -173.4(15) . . . . ?
C29 N3 C28 N4 0(2) . . . . ?
C29 N3 C31 C32 95(2) . . . . ?
C29 N3 C31 C36 -79(3) . . . . ?
C30 N4 C28 Au1 172.9(16) . . . . ?
C30 N4 C28 N3 0(2) . . . . ?
C30 N4 C40 C41 89(3) . . . . ?
C31 N3 C28 Au1 17(3) . . . . ?
C31 N3 C28 N4 -170.1(17) . . . . ?
C31 N3 C29 C30 170.8(18) . . . . ?
C31 C32 C33 C34 1(3) . . . . ?
C32 C31 C36 C35 -1(3) . . . . ?
C32 C31 C36 C39 -178.2(19) . . . . ?
C32 C33 C34 C35 1(3) . . . . ?
C32 C33 C34 C38 178(2) . . . . ?
C33 C34 C35 C36 -3(3) . . . . ?
C34 C35 C36 C31 3(3) . . . . ?
C34 C35 C36 C39 180(2) . . . . ?
C36 C31 C32 C33 -1(3) . . . . ?
C36 C31 C32 C37 -178(2) . . . . ?
C37 C32 C33 C34 178(2) . . . . ?
C38 C34 C35 C36 180(2) . . . . ?
C40 N4 C28 Au1 -19(3) . . . . ?
C40 N4 C28 N3 168.0(17) . . . . ?
C40 N4 C30 C29 -167(2) . . . . ?
C41 N5 C42 C43 117(3) . . . . ?
C41 N5 C45 C44 -114(3) . . . . ?
C42 N5 C41 O1 -173(3) . . . . ?
C42 N5 C41 C40 7(4) . . . . ?
C42 N5 C45 C44 58(3) . . . . ?
C43 O2 C44 C45 56(3) . . . . ?
C44 O2 C43 C42 -57(3) . . . . ?
C45 N5 C41 O1 -2(4) . . . . ?
C45 N5 C41 C40 178(2) . . . . ?
C45 N5 C42 C43 -54(3) . . . . ?
O6 C134 C135 N15 65(6) . . . . ?
N11 C92 C93 N12 2(2) . . . . ?
N11 C94 C95 C96 -175.6(18) . . . . ?
N11 C94 C95 C100 1(3) . . . . ?
N11 C94 C99 C98 177.6(18) . . . . ?
N11 C94 C99 C103 -3(3) . . . . ?
N12 C106 C107 C108 -178.4(19) . . . . ?
N12 C106 C107 C112 2(3) . . . . ?
N12 C106 C111 C110 179(2) . . . . ?
N12 C106 C111 C115 -13(4) . . . . ?
N13 C121 C122 C123 -179(2) . . . . ?
N13 C121 C122 C127 11(4) . . . . ?
N13 C121 C126 C125 175(2) . . . . ?
N13 C121 C126 C129 -4(3) . . . . ?
N14 C119 C120 N13 1(3) . . . . ?
N14 C130 C131 O5 -33(14) . . . . ?
N14 C130 C131 N15 130(10) . . . . ?
N14 C230 C231 O5A -1(6) . . . . ?
N14 C230 C231 N15A -176(3) . . . . ?
N15 C132 C133 O6 -38(9) . . . . ?
C91 N11 C92 C93 -2(2) . . . . ?
C91 N11 C94 C95 87(2) . . . . ?
C91 N11 C94 C99 -94(2) . . . . ?
C91 N12 C93 C92 -2(2) . . . . ?
C91 N12 C106 C107 -84(2) . . . . ?
C91 N12 C106 C111 104(3) . . . . ?
C92 N11 C91 Au3 179.4(13) . . . . ?
C92 N11 C91 N12 0.5(19) . . . . ?
C92 N11 C94 C95 -89(2) . . . . ?
C92 N11 C94 C99 90(2) . . . . ?
C93 N12 C91 Au3 -178.2(13) . . . . ?
C93 N12 C91 N11 1(2) . . . . ?
C93 N12 C106 C107 90(3) . . . . ?
C93 N12 C106 C111 -83(3) . . . . ?
C94 N11 C91 Au3 3(2) . . . . ?
C94 N11 C91 N12 -176.3(16) . . . . ?
C94 N11 C92 C93 175.2(17) . . . . ?
C94 C95 C96 C97 -5(3) . . . . ?
C94 C95 C100 C101 122(2) . . . . ?
C94 C95 C100 C102 -111(2) . . . . ?
C94 C99 C103 C104 144(2) . . . . ?
C94 C99 C103 C105 -93(2) . . . . ?
C95 C94 C99 C98 -3(3) . . . . ?
C95 C94 C99 C103 175.7(19) . . . . ?
C95 C96 C97 C98 3(3) . . . . ?
C96 C95 C100 C101 -62(3) . . . . ?
C96 C95 C100 C102 66(2) . . . . ?
C96 C97 C98 C99 -1(3) . . . . ?
C97 C98 C99 C94 1(3) . . . . ?
C97 C98 C99 C103 -178(2) . . . . ?
C98 C99 C103 C104 -37(3) . . . . ?
C98 C99 C103 C105 86(2) . . . . ?
C99 C94 C95 C96 5(3) . . . . ?
C99 C94 C95 C100 -178.1(19) . . . . ?
C100 C95 C96 C97 178.3(19) . . . . ?
C106 N12 C91 Au3 -4(3) . . . . ?
C106 N12 C91 N11 175.1(17) . . . . ?
C106 N12 C93 C92 -175.9(19) . . . . ?
C106 C107 C108 C109 6(4) . . . . ?
C106 C107 C112 C113 -108(2) . . . . ?
C106 C107 C112 C114 124(2) . . . . ?
C106 C111 C115 C116 -121(3) . . . . ?
C106 C111 C115 C117 118(3) . . . . ?
C107 C106 C111 C110 7(4) . . . . ?
C107 C106 C111 C115 175(2) . . . . ?
C107 C108 C109 C110 -8(4) . . . . ?
C108 C107 C112 C113 73(3) . . . . ?
C108 C107 C112 C114 -56(3) . . . . ?
C108 C109 C110 C111 9(4) . . . . ?
C109 C110 C111 C106 -8(4) . . . . ?
C109 C110 C111 C115 -176(3) . . . . ?
C110 C111 C115 C116 46(4) . . . . ?
C110 C111 C115 C117 -74(3) . . . . ?
C111 C106 C107 C108 -6(3) . . . . ?
C111 C106 C107 C112 175(2) . . . . ?
C112 C107 C108 C109 -174(2) . . . . ?
C118 N13 C120 C119 0(3) . . . . ?
C118 N13 C121 C122 -95(3) . . . . ?
C118 N13 C121 C126 89(3) . . . . ?
C118 N14 C119 C120 -2(3) . . . . ?
C118 N14 C130 C131 85(8) . . . . ?
C118 N14 C230 C231 86(4) . . . . ?
C119 N14 C118 Au3 -177.1(17) . . . . ?
C119 N14 C118 N13 2(2) . . . . ?
C119 N14 C130 C131 -91(9) . . . . ?
C119 N14 C230 C231 -90(4) . . . . ?
C120 N13 C118 Au3 177.6(18) . . . . ?
C120 N13 C118 N14 -1(2) . . . . ?
C120 N13 C121 C122 76(3) . . . . ?
C120 N13 C121 C126 -100(3) . . . . ?
C121 N13 C118 Au3 -10(3) . . . . ?
C121 N13 C118 N14 170.9(19) . . . . ?
C121 N13 C120 C119 -172(2) . . . . ?
C121 C122 C123 C124 6(3) . . . . ?
C122 C121 C126 C125 -1(4) . . . . ?
C122 C121 C126 C129 -179(2) . . . . ?
C122 C123 C124 C125 -5(3) . . . . ?
C122 C123 C124 C128 177(2) . . . . ?
C123 C124 C125 C126 1(4) . . . . ?
C124 C125 C126 C121 2(4) . . . . ?
C124 C125 C126 C129 -179(2) . . . . ?
C126 C121 C122 C123 -3(4) . . . . ?
C126 C121 C122 C127 -174(2) . . . . ?
C127 C122 C123 C124 177(2) . . . . ?
C128 C124 C125 C126 179(2) . . . . ?
C130 N14 C118 Au3 6(4) . . . . ?
C130 N14 C118 N13 -175(3) . . . . ?
C130 N14 C119 C120 174(4) . . . . ?
C131 N15 C132 C133 -134(10) . . . . ?
C131 N15 C135 C134 120(10) . . . . ?
C132 N15 C131 O5 -178(10) . . . . ?
C132 N15 C131 C130 20(11) . . . . ?
C132 N15 C135 C134 -47(7) . . . . ?
C133 O6 C134 C135 -71(4) . . . . ?
C134 O6 C133 C132 58(7) . . . . ?
C135 N15 C131 O5 15(15) . . . . ?
C135 N15 C131 C130 -147(9) . . . . ?
C135 N15 C132 C133 33(9) . . . . ?
O4 C89 C90 N10 -58(2) . . . . ?
N6 C47 C48 N7 2(2) . . . . ?
N6 C49 C50 C51 -177.0(17) . . . . ?
N6 C49 C50 C55 -1(3) . . . . ?
N6 C49 C54 C53 -178.8(17) . . . . ?
N6 C49 C54 C58 -6(3) . . . . ?
N7 C61 C62 C63 177.6(17) . . . . ?
N7 C61 C62 C67 -7(3) . . . . ?
N7 C61 C66 C65 -176.1(17) . . . . ?
N7 C61 C66 C70 4(3) . . . . ?
N8 C74 C75 N9 5(2) . . . . ?
N8 C76 C77 C78 -177.9(18) . . . . ?
N8 C76 C77 C82 0(3) . . . . ?
N8 C76 C81 C80 177.4(18) . . . . ?
N8 C76 C81 C84 0(3) . . . . ?
N9 C85 C86 O3 5(3) . . . . ?
N9 C85 C86 N10 179.9(18) . . . . ?
N10 C87 C88 O4 61(3) . . . . ?
C46 N6 C47 C48 0(2) . . . . ?
C46 N6 C49 C50 -93(2) . . . . ?
C46 N6 C49 C54 92(2) . . . . ?
C46 N7 C48 C47 -3(2) . . . . ?
C46 N7 C61 C62 103(2) . . . . ?
C46 N7 C61 C66 -81(2) . . . . ?
C47 N6 C46 Au2 179.3(13) . . . . ?
C47 N6 C46 N7 -1.9(18) . . . . ?
C47 N6 C49 C50 90(2) . . . . ?
C47 N6 C49 C54 -84(2) . . . . ?
C48 N7 C46 Au2 -178.2(13) . . . . ?
C48 N7 C46 N6 2.9(18) . . . . ?
C48 N7 C61 C62 -81(2) . . . . ?
C48 N7 C61 C66 95(2) . . . . ?
C49 N6 C46 Au2 2(2) . . . . ?
C49 N6 C46 N7 -178.8(14) . . . . ?
C49 N6 C47 C48 176.8(17) . . . . ?
C49 C50 C51 C52 -2(3) . . . . ?
C49 C50 C55 C56 136(2) . . . . ?
C49 C50 C55 C57 -105(2) . . . . ?
C49 C54 C58 C59 -115(2) . . . . ?
C49 C54 C58 C60 126(2) . . . . ?
C50 C49 C54 C53 7(3) . . . . ?
C50 C49 C54 C58 179.9(18) . . . . ?
C50 C51 C52 C53 3(3) . . . . ?
C51 C50 C55 C56 -48(3) . . . . ?
C51 C50 C55 C57 71(2) . . . . ?
C51 C52 C53 C54 1(3) . . . . ?
C52 C53 C54 C49 -6(3) . . . . ?
C52 C53 C54 C58 -178.7(18) . . . . ?
C53 C54 C58 C59 57(3) . . . . ?
C53 C54 C58 C60 -62(2) . . . . ?
C54 C49 C50 C51 -3(3) . . . . ?
C54 C49 C50 C55 172.5(18) . . . . ?
C55 C50 C51 C52 -177.7(18) . . . . ?
C61 N7 C46 Au2 -2(2) . . . . ?
C61 N7 C46 N6 179.3(16) . . . . ?
C61 N7 C48 C47 -179.4(17) . . . . ?
C61 C62 C63 C64 -4(3) . . . . ?
C61 C62 C67 C68 -103(3) . . . . ?
C61 C62 C67 C69 131(2) . . . . ?
C61 C66 C70 C71 120(2) . . . . ?
C61 C66 C70 C72 -112(2) . . . . ?
C62 C61 C66 C65 0(3) . . . . ?
C62 C61 C66 C70 179.4(17) . . . . ?
C62 C63 C64 C65 4(3) . . . . ?
C63 C62 C67 C68 73(3) . . . . ?
C63 C62 C67 C69 -53(3) . . . . ?
C63 C64 C65 C66 -3(3) . . . . ?
C64 C65 C66 C61 1(3) . . . . ?
C64 C65 C66 C70 -179.0(18) . . . . ?
C65 C66 C70 C71 -61(2) . . . . ?
C65 C66 C70 C72 67(2) . . . . ?
C66 C61 C62 C63 2(3) . . . . ?
C66 C61 C62 C67 177.4(17) . . . . ?
C67 C62 C63 C64 -179.6(18) . . . . ?
C73 N8 C74 C75 -4(2) . . . . ?
C73 N8 C76 C77 -88(2) . . . . ?
C73 N8 C76 C81 88(3) . . . . ?
C73 N9 C75 C74 -4(2) . . . . ?
C73 N9 C85 C86 76(2) . . . . ?
C74 N8 C73 Au2 175.4(15) . . . . ?
C74 N8 C73 N9 1(2) . . . . ?
C74 N8 C76 C77 83(2) . . . . ?
C74 N8 C76 C81 -100(2) . . . . ?
C75 N9 C73 Au2 -172.6(14) . . . . ?
C75 N9 C73 N8 2(2) . . . . ?
C75 N9 C85 C86 -97(2) . . . . ?
C76 N8 C73 Au2 -13(3) . . . . ?
C76 N8 C73 N9 172.7(17) . . . . ?
C76 N8 C74 C75 -175.9(17) . . . . ?
C76 C77 C78 C79 -1(3) . . . . ?
C77 C76 C81 C80 -6(3) . . . . ?
C77 C76 C81 C84 176.8(18) . . . . ?
C77 C78 C79 C80 -3(4) . . . . ?
C77 C78 C79 C83 -176(2) . . . . ?
C78 C79 C80 C81 2(4) . . . . ?
C79 C80 C81 C76 2(3) . . . . ?
C79 C80 C81 C84 179(2) . . . . ?
C81 C76 C77 C78 5(3) . . . . ?
C81 C76 C77 C82 -177(2) . . . . ?
C82 C77 C78 C79 -178(2) . . . . ?
C83 C79 C80 C81 176(2) . . . . ?
C85 N9 C73 Au2 13(3) . . . . ?
C85 N9 C73 N8 -171.8(16) . . . . ?
C85 N9 C75 C74 169.5(18) . . . . ?
C86 N10 C87 C88 113(2) . . . . ?
C86 N10 C90 C89 -113(2) . . . . ?
C87 N10 C86 O3 -1(3) . . . . ?
C87 N10 C86 C85 -175.5(19) . . . . ?
C87 N10 C90 C89 61(2) . . . . ?
C88 O4 C89 C90 62(2) . . . . ?
C89 O4 C88 C87 -63(3) . . . . ?
C90 N10 C86 O3 172(2) . . . . ?
C90 N10 C86 C85 -3(3) . . . . ?
C90 N10 C87 C88 -61(3) . . . . ?
O8 C179 C180 N20 -61(3) . . . . ?
N16 C137 C138 N17 1(2) . . . . ?
N16 C139 C140 C141 -179.6(17) . . . . ?
N16 C139 C140 C145 -4(3) . . . . ?
N16 C139 C144 C143 -177.6(18) . . . . ?
N16 C139 C144 C148 3(3) . . . . ?
N17 C151 C152 C153 -180.0(18) . . . . ?
N17 C151 C152 C157 -4(3) . . . . ?
N17 C151 C156 C155 -178.1(19) . . . . ?
N17 C151 C156 C160 4(3) . . . . ?
N18 C164 C165 N19 6(3) . . . . ?
N18 C166 C167 C168 173(2) . . . . ?
N18 C166 C167 C172 -2(3) . . . . ?
N18 C166 C171 C170 -174.5(19) . . . . ?
N18 C166 C171 C174 4(3) . . . . ?
N19 C175 C176 O7 10(4) . . . . ?
N19 C175 C176 N20 -173(2) . . . . ?
N20 C177 C178 O8 57(3) . . . . ?
C136 N16 C137 C138 -1(2) . . . . ?
C136 N16 C139 C140 -86(2) . . . . ?
C136 N16 C139 C144 91(2) . . . . ?
C136 N17 C138 C137 0(2) . . . . ?
C136 N17 C151 C152 85(3) . . . . ?
C136 N17 C151 C156 -98(2) . . . . ?
C137 N16 C136 Au4 -176.5(13) . . . . ?
C137 N16 C136 N17 1.1(19) . . . . ?
C137 N16 C139 C140 85(2) . . . . ?
C137 N16 C139 C144 -98(2) . . . . ?
C138 N17 C136 Au4 176.8(13) . . . . ?
C138 N17 C136 N16 -1(2) . . . . ?
C138 N17 C151 C152 -92(2) . . . . ?
C138 N17 C151 C156 85(3) . . . . ?
C139 N16 C136 Au4 -4(2) . . . . ?
C139 N16 C136 N17 173.5(16) . . . . ?
C139 N16 C137 C138 -173.4(16) . . . . ?
C139 C140 C141 C142 -3(3) . . . . ?
C139 C140 C145 C146 117(2) . . . . ?
C139 C140 C145 C147 -114(2) . . . . ?
C139 C144 C148 C149 95(2) . . . . ?
C139 C144 C148 C150 -144(2) . . . . ?
C140 C139 C144 C143 -1(3) . . . . ?
C140 C139 C144 C148 -179.8(19) . . . . ?
C140 C141 C142 C143 0(3) . . . . ?
C141 C140 C145 C146 -67(3) . . . . ?
C141 C140 C145 C147 62(3) . . . . ?
C141 C142 C143 C144 3(3) . . . . ?
C142 C143 C144 C139 -2(3) . . . . ?
C142 C143 C144 C148 177(2) . . . . ?
C143 C144 C148 C149 -84(3) . . . . ?
C143 C144 C148 C150 37(3) . . . . ?
C144 C139 C140 C141 3(3) . . . . ?
C144 C139 C140 C145 179.3(19) . . . . ?
C145 C140 C141 C142 -179(2) . . . . ?
C151 N17 C136 Au4 -1(3) . . . . ?
C151 N17 C136 N16 -178.0(17) . . . . ?
C151 N17 C138 C137 177.4(19) . . . . ?
C151 C152 C153 C154 -4(3) . . . . ?
C151 C152 C157 C158 120(2) . . . . ?
C151 C152 C157 C159 -121(2) . . . . ?
C151 C156 C160 C161 -134(2) . . . . ?
C151 C156 C160 C162 104(3) . . . . ?
C152 C151 C156 C155 -1(3) . . . . ?
C152 C151 C156 C160 -179(2) . . . . ?
C152 C153 C154 C155 3(4) . . . . ?
C153 C152 C157 C158 -64(3) . . . . ?
C153 C152 C157 C159 54(3) . . . . ?
C153 C154 C155 C156 -1(4) . . . . ?
C154 C155 C156 C151 0(4) . . . . ?
C154 C155 C156 C160 178(2) . . . . ?
C155 C156 C160 C161 49(3) . . . . ?
C155 C156 C160 C162 -74(3) . . . . ?
C156 C151 C152 C153 3(3) . . . . ?
C156 C151 C152 C157 179(2) . . . . ?
C157 C152 C153 C154 -179(2) . . . . ?
C163 N18 C164 C165 -7(3) . . . . ?
C163 N18 C166 C167 94(2) . . . . ?
C163 N18 C166 C171 -87(3) . . . . ?
C163 N19 C165 C164 -3(3) . . . . ?
C163 N19 C175 C176 -86(3) . . . . ?
C164 N18 C163 Au4 -176.9(18) . . . . ?
C164 N18 C163 N19 5(3) . . . . ?
C164 N18 C166 C167 -83(3) . . . . ?
C164 N18 C166 C171 95(3) . . . . ?
C165 N19 C163 Au4 -179.3(18) . . . . ?
C165 N19 C163 N18 -1(3) . . . . ?
C165 N19 C175 C176 81(3) . . . . ?
C166 N18 C163 Au4 5(3) . . . . ?
C166 N18 C163 N19 -172.8(18) . . . . ?
C166 N18 C164 C165 171(2) . . . . ?
C166 C167 C168 C169 6(4) . . . . ?
C167 C166 C171 C170 4(3) . . . . ?
C167 C166 C171 C174 -178(2) . . . . ?
C167 C168 C169 C170 -5(4) . . . . ?
C167 C168 C169 C173 179(2) . . . . ?
C168 C169 C170 C171 3(4) . . . . ?
C169 C170 C171 C166 -2(3) . . . . ?
C169 C170 C171 C174 179(2) . . . . ?
C171 C166 C167 C168 -5(3) . . . . ?
C171 C166 C167 C172 -180(2) . . . . ?
C172 C167 C168 C169 -179(2) . . . . ?
C173 C169 C170 C171 179(2) . . . . ?
C175 N19 C163 Au4 -11(3) . . . . ?
C175 N19 C163 N18 167.0(19) . . . . ?
C175 N19 C165 C164 -170(2) . . . . ?
C176 N20 C177 C178 126(3) . . . . ?
C176 N20 C180 C179 -126(3) . . . . ?
C177 N20 C176 O7 -179(3) . . . . ?
C177 N20 C176 C175 3(4) . . . . ?
C177 N20 C180 C179 55(3) . . . . ?
C178 O8 C179 C180 69(3) . . . . ?
C179 O8 C178 C177 -66(3) . . . . ?
C180 N20 C176 O7 1(5) . . . . ?
C180 N20 C176 C175 -176(3) . . . . ?
C180 N20 C177 C178 -54(4) . . . . ?
C230 N14 C118 Au3 7(3) . . . . ?
C230 N14 C118 N13 -174(2) . . . . ?
C230 N14 C119 C120 174(2) . . . . ?
C230 C231 N15A C232 -10(6) . . . . ?
C230 C231 N15A C235 180(3) . . . . ?
C231 N15A C232 C233 -122(4) . . . . ?
C231 N15A C235 C234 119(4) . . . . ?
O5A C231 N15A C232 175(4) . . . . ?
O5A C231 N15A C235 5(7) . . . . ?
N15A C232 C233 O6A -54(4) . . . . ?
N15A C235 C234 O6A 59(3) . . . . ?
C232 N15A C235 C234 -52(4) . . . . ?
C232 C233 O6A C234 62(3) . . . . ?
C235 N15A C232 C233 49(4) . . . . ?
C235 C234 O6A C233 -65(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.387 0.121 -0.028 458.9 111.1 ?
2 0.088 0.366 0.890 57.6 0.0 ?
3 -0.219 0.621 0.028 458.9 113.1 ?
4 -0.088 0.866 0.110 57.6 2.9 ?
5 0.344 0.381 0.080 75.3 0.0 ?
6 0.351 0.179 0.411 12.2 0.0 ?
7 0.656 0.881 0.920 75.3 0.0 ?
8 0.649 0.679 0.589 12.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_diffrn_reflns_filtered   2097
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 2.474
_oxdiff_exptl_absorpt_empirical_full_min 0.560
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.535(13)
2 0.465(13)

####################################################################### 
# 
# 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_Complex7
_database_code_depnum_ccdc_archive 'CCDC 2062339'
loop_
_audit_author_name
_audit_author_address
'Vincent Lynch'
;University of Texas at Austin
United States of America
;
_audit_update_record             
;
2021-02-10 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;

_audit_creation_date             2020-07-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C47 H58 Au N6 O3), 2(F6 P), C H2 Cl2'
_chemical_formula_sum            'C95 H118 Au2 Cl2 F12 N12 O6 P2'
_chemical_formula_weight         2278.78
_chemical_melting_point          ?
_chemical_oxdiff_formula         C95H118Au2Cl2P2F12N12O6
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.0621(2)
_cell_length_b                   18.0164(3)
_cell_length_c                   25.9531(5)
_cell_angle_alpha                102.579(2)
_cell_angle_beta                 92.7990(10)
_cell_angle_gamma                98.3590(10)
_cell_volume                     4977.26(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    30088
_cell_measurement_temperature    100.04(11)
_cell_measurement_theta_max      73.1890
_cell_measurement_theta_min      2.7100
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.933
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.307
_exptl_absorpt_correction_type   'gaussian and multi-scan'
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.70a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             2300
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 1 0 0.0375
0 -1 0 0.0085
0 0 1 0.0469
0 0 -1 0.0209
-7 2 6 0.1078
7 -2 -6 0.0858

_exptl_crystal_size_max          0.231
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.046
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0004 0.9992 -0.0000 -0.0157 -0.0098 0.0867
0.0004 -0.9992 0.0000 0.0157 0.0098 -0.0867
-0.0002 0.0000 0.9991 -0.0021 0.0575 0.0203
0.0002 -0.0000 -0.9991 0.0021 -0.0575 -0.0203
-6.7690 2.1834 5.9888 0.9073 0.2696 0.3226
6.7690 -2.1834 -5.9888 -0.9073 -0.2696 -0.3226

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            66015
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.389
_diffrn_reflns_theta_min         2.742
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.04(11)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2940
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -116.00 -17.00   1.00    4.00    --  -41.59 -38.00 150.00   99
  2  ω     31.00 135.00   1.00   16.00    --  107.09 -30.00  60.00  104
  3  ω    -66.00  33.00   1.00    4.00    --  -41.59  38.00 -30.00   99
  4  ω     81.00 178.00   1.00   16.00    --  107.09  45.00-120.00   97
  5  ω    -74.00  35.00   1.00    4.00    --  -41.59  77.00  60.00  109
  6  ω     24.00 107.00   1.00   16.00    --  107.09 -94.00  90.00   83
  7  ω      7.00  34.00   1.00    4.00    --   41.59  83.00 152.63   27
  8  ω     34.00 133.00   1.00   16.00    --  107.09 -45.00-120.00   99
  9  ω     26.00 160.00   1.00   16.00    --  107.09 -15.00-120.00  134
 10  ω     24.00 107.00   1.00   16.00    --  107.09 -94.00 -90.00   83
 11  ω     34.00 112.00   1.00   16.00    --  107.09-125.00  90.00   78
 12  ω     34.00 133.00   1.00   16.00    --  107.09 -45.00 150.00   99
 13  ω     26.00 107.00   1.00   16.00    --  107.09 -99.00-174.50   81
 14  ω   -115.00 -13.00   1.00    4.00    --  -41.59 -57.00 -30.00  102
 15  ω      9.00  42.00   1.00    4.00    --   41.59  77.00  90.44   33
 16  ω      7.00  33.00   1.00    4.00    --   41.59  84.00 -62.75   26
 17  ω     54.00 178.00   1.00   16.00    --  107.09  15.00 150.00  124
 18  ω     79.00 178.00   1.00   16.00    --  107.09  30.00 -30.00   99
 19  ω     78.00 178.00   1.00   16.00    --  107.09  61.00-180.00  100
 20  ω     81.00 178.00   1.00   16.00    --  107.09  45.00   0.00   97
 21  ω     78.00 178.00   1.00   16.00    --  107.09  61.00 -90.00  100
 22  ω     79.00 178.00   1.00   16.00    --  107.09  30.00  60.00   99
 23  ω    -87.00  -6.00   1.00    4.00    --  -41.59 125.00 120.00   81
 24  ω      7.00  34.00   1.00    4.00    --   41.59  83.00 -22.99   27
 25  ω      7.00  33.00   1.00    4.00    --   41.59  84.00 -89.90   26
 26  ω     78.00 153.00   1.00   16.00    --  107.09  61.00 150.00   75
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1410227000
_diffrn_orient_matrix_UB_12      -0.0158084000
_diffrn_orient_matrix_UB_13      -0.0021253000
_diffrn_orient_matrix_UB_21      0.0078778000
_diffrn_orient_matrix_UB_22      -0.0098331000
_diffrn_orient_matrix_UB_23      0.0575057000
_diffrn_orient_matrix_UB_31      -0.0016753000
_diffrn_orient_matrix_UB_32      0.0867817000
_diffrn_orient_matrix_UB_33      0.0203339000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17241
_reflns_number_total             19449
_reflns_odcompleteness_completeness 99.50
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.41.70a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.70a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.70a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT n/a (Sheldrick, 2015)'
_refine_diff_density_max         1.105
_refine_diff_density_min         -1.538
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1467
_refine_ls_number_reflns         19449
_refine_ls_number_restraints     1779
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0364
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0363P)²+14.9740P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.0940
_refine_special_details          
;
The structure consists of two Au hexafluorophosphate complexes with a molecule 
of dichloromethane.  One of the hexafluorophosphate ions is disordered.  In addition, 
both of the maleimide portions of the Au complexes are also disordered.  The 
disorder was modeled using features found in OLEX2.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 P2A-F7A = P2A-F8A = P2A-F9A = P2A-F10A = P2A-F11A = P2A-F12A
 1.58 with sigma of 0.02
 P2-F7 = P2-F8 = P2-F9 = P2-F10 = P2-F11 = P2-F12
 1.58 with sigma of 0.02
 C44-O2 = C47-O3 = C44A-O2A = C47A-O3A
 1.21 with sigma of 0.02
 N6-C44 = N6-C47 = N6A-C44A = N6A-C47A
 1.39 with sigma of 0.02
 C44-C45 = C46-C47 = C44A-C45A = C46A-C47A
 1.49 with sigma of 0.02
 C45-C46 = C45A-C46A
 1.33 with sigma of 0.02
 N6-C43 = N6A-C43A
 1.45 with sigma of 0.02
 C43-C44 = C43-C47 = C43A-C44A = C43A-C47A
 2.52 with sigma of 0.02
 C44-C47 = C44A-C47A = C44-C46 = C44A-C46A = C45-C47 = C45A-C47A
 2.29 with sigma of 0.02
 N6-O2 = N6-O3 = N6A-O2A = N6A-O3A
 2.29 with sigma of 0.02
 Cl1-C1A = Cl2-C1A = Cl1A-C1B = Cl2A-C1B
 1.75 with sigma of 0.02
 O4A-C88A
 1.2 with sigma of 0.02
 N11A-C88A
 1.33 with sigma of 0.02
 C88A-C87A
 1.5 with sigma of 0.02
 C89-N11
 1.35 with sigma of 0.02
 C89A-N11A
 1.35 with sigma of 0.02
 C90A-C89A
 1.52 with sigma of 0.02
 F7A-F9A \\sim F7A-F10A \\sim F7A-F11A \\sim F7A-F12A \\sim F8A-F9A \\sim
F8A-F10A \\sim F8A-F11A ~
 F8A-F12A
 with sigma of 0.01
 F9A-F10A \\sim F9A-F12A \\sim F10A-F11A \\sim F11A-F12A
 with sigma of 0.01
 F8-F9 \\sim F7-F10 \\sim F7-F11 \\sim F7-F12 \\sim F8-F9 \\sim F8-F10 \\sim
F8-F11 \\sim F8-F12
 with sigma of 0.01
 F9-F10 \\sim F9-F12 \\sim F10-F11 \\sim F11-F12
 with sigma of 0.01
 N6-C43 \\sim N6A-C43A
 with sigma of 0.02
 N6-C47 \\sim N6A-C47A
 with sigma of 0.02
 N6-C44 \\sim N6A-C44A
 with sigma of 0.02
 O3-C47 \\sim O3A-C47A
 with sigma of 0.02
 O2-C44 \\sim O2A-C44A
 with sigma of 0.02
 C42-C43 \\sim C42-C43A
 with sigma of 0.02
 C47-C46 \\sim C47A-C46A
 with sigma of 0.02
 C44-C45 \\sim C44A-C45A
 with sigma of 0.02
 C46-C45 \\sim C46A-C45A
 with sigma of 0.02
 N6-O3 \\sim N6A-O3A
 with sigma of 0.04
 N6-O2 \\sim N6A-O2A
 with sigma of 0.04
 N6-C42 \\sim N6A-C42
 with sigma of 0.04
 N6-C46 \\sim N6A-C46A
 with sigma of 0.04
 N6-C45 \\sim N6A-C45A
 with sigma of 0.04
 O3-C46 \\sim O3A-C46A
 with sigma of 0.04
 O2-C45 \\sim O2A-C45A
 with sigma of 0.04
 C43-C47 \\sim C43A-C47A
 with sigma of 0.04
 C43-C44 \\sim C43A-C44A
 with sigma of 0.04
 C47-C44 \\sim C47A-C44A
 with sigma of 0.04
 C47-C45 \\sim C47A-C45A
 with sigma of 0.04
 C44-C46 \\sim C44A-C46A
 with sigma of 0.04
 Cl2-C1A \\sim Cl2A-C1B
 with sigma of 0.02
 Cl1-C1A \\sim Cl1A-C1B
 with sigma of 0.02
 Cl2-Cl1 \\sim Cl2A-Cl1A
 with sigma of 0.04
 Cl1-Cl2 \\sim Cl1A-Cl2A
 with sigma of 0.01
 C91-O5 \\sim C91A-O5A
 with sigma of 0.02
 C91-N12 \\sim C91A-N12A
 with sigma of 0.02
 C91-C92 \\sim C91A-C92A
 with sigma of 0.02
 N12-C94 \\sim N12A-C94A
 with sigma of 0.02
 N12-C90 \\sim N12A-C90A
 with sigma of 0.02
 O6-C94 \\sim O6A-C94A
 with sigma of 0.02
 C89-C90 \\sim C89-C90A
 with sigma of 0.02
 C92-C93 \\sim C92A-C93A
 with sigma of 0.02
 C94-C93 \\sim C94A-C93A
 with sigma of 0.02
 C91-C94 \\sim C91A-C94A
 with sigma of 0.04
 C91-C93 \\sim C91A-C93A
 with sigma of 0.04
 C91-C90 \\sim C91A-C90A
 with sigma of 0.04
 O5-N12 \\sim O5A-N12A
 with sigma of 0.04
 O5-C92 \\sim O5A-C92A
 with sigma of 0.04
 N12-O6 \\sim N12A-O6A
 with sigma of 0.04
 N12-C89 \\sim N12A-C89
 with sigma of 0.04
 N12-C92 \\sim N12A-C92A
 with sigma of 0.04
 N12-C93 \\sim N12A-C93A
 with sigma of 0.04
 O6-C93 \\sim O6A-C93A
 with sigma of 0.04
 C92-C94 \\sim C92A-C94A
 with sigma of 0.04
 C94-C90 \\sim C94A-C90A
 with sigma of 0.04
3. Restrained planarity
 C43, N6, C44, O2, C45, C46, C47, O3
 with sigma of 0.01
 C43A, N6A, C44A, O2A, C45A, C46A, C47A, O3A
 with sigma of 0.01
 O6, C94, C93, C92, C91, N12, O5
 with sigma of 0.01
 C90A, N12A, C94A, O6A, C93A, C92A, O5A, C91A
 with sigma of 0.01
 O6A, C94A, C93A, C92A, C91A, N12A, C90A, O5A
 with sigma of 0.02
 C87A, C88A, O4A, N11A
 with sigma of 0.02
 C87, C88, N11, O4
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
F9 \\sim F7 \\sim F12 \\sim F10 \\sim F8 \\sim F11 \\sim F11A \\sim F12A \\sim
F10A \\sim F7A \\sim F9A \\sim F8A: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
P2 \\sim P2A: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
C43A \\sim C43 \\sim N6A \\sim N6 \\sim C47A \\sim C47 \\sim O3 \\sim O3A \\sim
C46A \\sim C46 \\sim C45A \\sim C45 \\sim C44A \\sim C44 \\sim O2 \\sim O2A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C1A \\sim C1B \\sim Cl2 \\sim Cl2A \\sim Cl1A \\sim Cl1: within 2A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 2A
C90A \\sim C90 \\sim N12 \\sim N12A \\sim O6 \\sim O6A \\sim C94A \\sim C94
\\sim C93 \\sim C93A \\sim C92 \\sim C92A \\sim C91A \\sim O5A \\sim O5 \\sim
C91: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(Cl2A) = Uanis(Cl2) = Uanis(Cl1A) = Uanis(Cl1)
5. Others
 Sof(C90A)=Sof(H90C)=Sof(H90D)=Sof(N12A)=Sof(C91A)=Sof(C94A)=Sof(C93A)=
 Sof(H93A)=Sof(C92A)=Sof(H92A)=Sof(O6A)=Sof(O5A)=Sof(O4A)=Sof(C88A)=Sof(C87A)=
 Sof(H87C)=Sof(H87D)=Sof(C89A)=Sof(H89C)=Sof(H89D)=Sof(N11A)=Sof(H11A)=1-FVAR(1)
 Sof(C91)=Sof(N11)=Sof(H11)=Sof(O4)=Sof(O5)=Sof(C87)=Sof(H87A)=Sof(H87B)=
 Sof(N12)=Sof(C88)=Sof(O6)=Sof(C89)=Sof(H89A)=Sof(H89B)=Sof(C92)=Sof(H92)=
 Sof(C94)=Sof(C93)=Sof(H93)=Sof(C90)=Sof(H90A)=Sof(H90B)=FVAR(1)
 Sof(P2A)=Sof(F11A)=Sof(F12A)=Sof(F10A)=Sof(F7A)=Sof(F9A)=Sof(F8A)=1-FVAR(2)
 Sof(P2)=Sof(F9)=Sof(F7)=Sof(F12)=Sof(F10)=Sof(F8)=Sof(F11)=FVAR(2)
 Sof(H42C)=Sof(H42D)=Sof(O3A)=Sof(C47A)=Sof(C46A)=Sof(H46A)=Sof(C45A)=
 Sof(H45A)=Sof(C44A)=Sof(O2A)=Sof(N6A)=Sof(C43A)=Sof(H43C)=Sof(H43D)=1-FVAR(3)
 Sof(N6)=Sof(O3)=Sof(O2)=Sof(H42A)=Sof(H42B)=Sof(C43)=Sof(H43A)=Sof(H43B)=
 Sof(C47)=Sof(C44)=Sof(C46)=Sof(H46)=Sof(C45)=Sof(H45)=FVAR(3)
 Sof(Cl1A)=Sof(Cl2A)=Sof(C1B)=Sof(H1BA)=Sof(H1BB)=1-FVAR(4)
 Sof(Cl2)=Sof(Cl1)=Sof(C1A)=Sof(H1AA)=Sof(H1AB)=FVAR(4)
6.a Ternary CH refined with riding coordinates:
 C60(H60), C25(H25), C10(H10), C72(H72), C57(H57), C13(H13), C69(H69), C22(H22)
6.b Secondary CH2 refined with riding coordinates:
 C40(H40A,H40B), C87(H87A,H87B), C42(H42A,H42B), C42(H42C,H42D), C43(H43A,
 H43B), C89(H89A,H89B), C90(H90A,H90B), C1A(H1AA,H1AB), C90A(H90C,H90D),
 C43A(H43C,H43D), C1B(H1BA,H1BB), C87A(H87C,H87D), C89A(H89C,H89D)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C54(H54), C7(H7), C55(H55), C3(H3), C50(H50), C53(H53), C49(H49),
 C35(H35), C20(H20), C6(H6), C82(H82), C19(H19), C18(H18), N5(H5), C8(H8),
 C33(H33), C76(H76), C67(H67), C80(H80), N11(H11), C77(H77), C29(H29), C30(H30),
  C66(H66), C65(H65), C92(H92), C46(H46), C93(H93), C45(H45), C93A(H93A),
 C92A(H92A), C46A(H46A), C45A(H45A), N11A(H11A)
6.d Idealised Me refined as rotating group:
 C74(H74A,H74B,H74C), C86(H86A,H86B,H86C), C11(H11B,H11C,H11D), C38(H38A,H38B,
 H38C), C84(H84A,H84B,H84C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C), C58(H58A,
 H58B,H58C), C70(H70A,H70B,H70C), C85(H85A,H85B,H85C), C62(H62A,H62B,H62C),
 C15(H15A,H15B,H15C), C59(H59A,H59B,H59C), C14(H14A,H14B,H14C), C24(H24A,H24B,
 H24C), C12(H12A,H12B,H12C), C23(H23A,H23B,H23C), C61(H61A,H61B,H61C), C73(H73A,
 H73B,H73C), C27(H27A,H27B,H27C), C26(H26A,H26B,H26C), C71(H71A,H71B,H71C)
;
_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 0.33948(2) 0.78564(2) 0.25899(2) 0.02566(5) Uani 1 1 d . U . . .
Au2 Au 0.29279(2) 0.65863(2) 0.76947(2) 0.02839(5) Uani 1 1 d . U . . .
P1 P 0.80794(9) 0.68021(7) 1.01063(4) 0.0302(2) Uani 1 1 d . U . . .
P2 P 0.6351(6) 0.6365(3) 0.44774(13) 0.0487(11) Uani 0.582(10) 1 d D U P A 1
F2 F 0.7128(3) 0.73804(18) 1.00671(11) 0.0483(7) Uani 1 1 d . U . . .
F6 F 0.7004(3) 0.60960(18) 0.99020(12) 0.0539(8) Uani 1 1 d . U . . .
F5 F 0.8360(3) 0.67756(19) 0.95046(11) 0.0473(7) Uani 1 1 d . U . . .
F3 F 0.7790(3) 0.68183(18) 1.07063(10) 0.0470(7) Uani 1 1 d . U . . .
F1 F 0.9042(3) 0.6242(2) 1.01509(12) 0.0561(8) Uani 1 1 d . U . . .
F4 F 0.9149(3) 0.75223(19) 1.03082(13) 0.0550(8) Uani 1 1 d . U . . .
Cl2 Cl 0.8543(6) 0.8806(4) 0.5270(2) 0.1072(9) Uani 0.570(5) 1 d D U P B 1
N8 N 0.5632(3) 0.65774(19) 0.79562(13) 0.0260(7) Uani 1 1 d . U . . .
N2 N 0.0646(3) 0.7653(2) 0.23497(13) 0.0297(7) Uani 1 1 d . U . . .
N1 N 0.1528(3) 0.7380(2) 0.16315(13) 0.0281(7) Uani 1 1 d . U . . .
N7 N 0.4675(3) 0.6726(2) 0.86592(14) 0.0296(7) Uani 1 1 d . U . . .
Cl1 Cl 0.8688(5) 0.7856(4) 0.60393(18) 0.1072(9) Uani 0.570(5) 1 d D U P B 1
N9 N 0.0364(3) 0.6864(2) 0.73932(16) 0.0364(8) Uani 1 1 d . U . . .
F9 F 0.6990(7) 0.6181(5) 0.4995(2) 0.064(2) Uani 0.582(10) 1 d D U P A 1
F7 F 0.7398(7) 0.7098(4) 0.4525(3) 0.061(2) Uani 0.582(10) 1 d D U P A 1
C48 C 0.4527(3) 0.6634(2) 0.81326(16) 0.0259(8) Uani 1 1 d . U . . .
C1 C 0.1748(3) 0.7607(2) 0.21612(15) 0.0266(8) Uani 1 1 d . U . . .
N3 N 0.6147(3) 0.8303(2) 0.28717(16) 0.0381(9) Uani 1 1 d . U . . .
O1 O 0.4380(4) 0.9331(3) 0.39429(16) 0.0614(11) Uani 1 1 d . U . . .
N4 N 0.5226(4) 0.8027(3) 0.35291(16) 0.0434(10) Uani 1 1 d . U . . .
C4 C 0.2470(4) 0.7307(2) 0.12684(15) 0.0273(8) Uani 1 1 d . U . . .
N10 N 0.0991(4) 0.6059(3) 0.6770(2) 0.0517(11) Uani 1 1 d . U . . .
C2 C 0.0289(4) 0.7292(3) 0.14877(17) 0.0363(10) Uani 1 1 d . U . . .
H2 H -0.009815 0.713694 0.113782 0.044 Uiso 1 1 calc R U . . .
C56 C 0.3513(4) 0.7603(3) 0.92039(16) 0.0321(9) Uani 1 1 d . U . . .
C54 C 0.1824(4) 0.7078(3) 0.96425(18) 0.0381(10) Uani 1 1 d . U . . .
H54 H 0.116909 0.715959 0.986068 0.046 Uiso 1 1 calc R U . . .
C7 C 0.4294(4) 0.7184(3) 0.05883(18) 0.0404(10) Uani 1 1 d . U . . .
H7 H 0.493195 0.714274 0.035676 0.048 Uiso 1 1 calc R U . . .
C55 C 0.2546(4) 0.7700(3) 0.95209(17) 0.0352(9) Uani 1 1 d . U . . .
H55 H 0.237635 0.820449 0.965705 0.042 Uiso 1 1 calc R U . . .
F12 F 0.5534(6) 0.6884(4) 0.4842(3) 0.067(2) Uani 0.582(10) 1 d D U P A 1
C9 C 0.3015(4) 0.7973(2) 0.11193(16) 0.0300(8) Uani 1 1 d . U . . .
C3 C -0.0264(4) 0.7466(3) 0.19377(18) 0.0387(10) Uani 1 1 d . U . . .
H3 H -0.111757 0.746223 0.196718 0.046 Uiso 1 1 calc R U . . .
C50 C 0.6501(4) 0.6650(3) 0.83781(17) 0.0331(9) Uani 1 1 d . U . . .
H50 H 0.735304 0.663612 0.835848 0.040 Uiso 1 1 calc R U . . .
C51 C 0.3709(4) 0.6845(3) 0.90072(16) 0.0308(8) Uani 1 1 d . U . . .
C21 C 0.0593(4) 0.8713(3) 0.31148(18) 0.0343(9) Uani 1 1 d . U . . .
C53 C 0.2051(4) 0.6337(3) 0.94485(18) 0.0386(10) Uani 1 1 d . U . . .
H53 H 0.155303 0.591518 0.953857 0.046 Uiso 1 1 calc R U . . .
C16 C 0.0439(4) 0.7920(3) 0.28999(16) 0.0310(9) Uani 1 1 d . U . . .
C49 C 0.5891(4) 0.6745(3) 0.88225(17) 0.0344(9) Uani 1 1 d . U . . .
H49 H 0.623130 0.681062 0.917588 0.041 Uiso 1 1 calc R U . . .
C36 C 0.6593(4) 0.9304(3) 0.23883(18) 0.0342(9) Uani 1 1 d . U . . .
C35 C 0.6894(4) 0.9518(3) 0.19215(19) 0.0364(9) Uani 1 1 d . U . . .
H35 H 0.702815 1.004918 0.191674 0.044 Uiso 1 1 calc R U . . .
C20 C 0.0297(4) 0.8952(3) 0.36342(19) 0.0403(10) Uani 1 1 d . U . . .
H20 H 0.038916 0.948618 0.379294 0.048 Uiso 1 1 calc R U . . .
C32 C 0.6462(4) 0.7961(3) 0.1925(2) 0.0359(9) Uani 1 1 d . U . . .
C28 C 0.5040(4) 0.8092(3) 0.30273(17) 0.0334(9) Uani 1 1 d . U . . .
C63 C 0.5872(3) 0.6490(2) 0.74083(16) 0.0285(8) Uani 1 1 d . U . . .
C52 C 0.3001(4) 0.6199(3) 0.91216(17) 0.0350(9) Uani 1 1 d . U . . .
C60 C 0.4312(4) 0.8287(3) 0.90741(18) 0.0366(9) Uani 1 1 d . U . . .
H60 H 0.498506 0.808245 0.887169 0.044 Uiso 1 1 calc R U . . .
C31 C 0.6390(4) 0.8521(3) 0.23819(18) 0.0336(9) Uani 1 1 d . U . . .
C6 C 0.3727(4) 0.6538(3) 0.07351(17) 0.0389(10) Uani 1 1 d . U . . .
H6 H 0.397391 0.605466 0.059959 0.047 Uiso 1 1 calc R U . . .
F10 F 0.7189(7) 0.5837(4) 0.4115(2) 0.0593(19) Uani 0.582(10) 1 d D U P A 1
C25 C 0.1063(4) 0.9299(3) 0.2798(2) 0.0399(10) Uani 1 1 d . U . . .
H25 H 0.132199 0.900811 0.245880 0.048 Uiso 1 1 calc R U . . .
C34 C 0.7006(4) 0.8977(3) 0.14606(19) 0.0381(10) Uani 1 1 d . U . . .
C68 C 0.6018(4) 0.7153(3) 0.72035(18) 0.0356(9) Uani 1 1 d . U . . .
C5 C 0.2795(4) 0.6581(3) 0.10792(17) 0.0342(9) Uani 1 1 d . U . . .
F8 F 0.5329(8) 0.5619(4) 0.4433(3) 0.075(2) Uani 0.582(10) 1 d D U P A 1
C78 C 0.0316(4) 0.7428(3) 0.78720(18) 0.0333(9) Uani 1 1 d . U . . .
C82 C 0.0447(4) 0.8742(3) 0.83176(19) 0.0397(10) Uani 1 1 d . U . . .
H82 H 0.060762 0.927375 0.831617 0.048 Uiso 1 1 calc R U . . .
C19 C -0.0130(4) 0.8420(3) 0.39211(19) 0.0445(11) Uani 1 1 d . U . . .
H19 H -0.034802 0.859503 0.427133 0.053 Uiso 1 1 calc R U . . .
C17 C 0.0055(4) 0.7376(3) 0.31935(18) 0.0371(10) Uani 1 1 d . U . . .
C64 C 0.5929(4) 0.5753(3) 0.71111(18) 0.0349(9) Uani 1 1 d . U . . .
C83 C 0.0581(4) 0.8201(3) 0.78635(17) 0.0322(9) Uani 1 1 d . U . . .
C18 C -0.0242(4) 0.7651(3) 0.37097(19) 0.0416(11) Uani 1 1 d . U . . .
H18 H -0.052756 0.729576 0.391600 0.050 Uiso 1 1 calc R U . . .
N5 N 0.3032(5) 0.8768(4) 0.4422(2) 0.0671(14) Uani 1 1 d . U . . .
H5 H 0.269404 0.832543 0.448351 0.081 Uiso 1 1 calc R U . . .
C75 C 0.1321(4) 0.6505(3) 0.7252(2) 0.0377(10) Uani 1 1 d . U . . .
C8 C 0.3939(4) 0.7893(3) 0.07763(17) 0.0373(10) Uani 1 1 d . U . . .
H8 H 0.433413 0.833286 0.066918 0.045 Uiso 1 1 calc R U . . .
C33 C 0.6772(4) 0.8204(3) 0.1471(2) 0.0402(10) Uani 1 1 d . U . . .
H33 H 0.682455 0.782860 0.115616 0.048 Uiso 1 1 calc R U . . .
C91 C 0.1741(8) 0.6947(5) 0.4869(3) 0.0451(18) Uani 0.613(4) 1 d D U P C 1
C79 C -0.0022(4) 0.7183(3) 0.8326(2) 0.0375(10) Uani 1 1 d . U . . .
C76 C -0.0569(4) 0.6636(3) 0.6990(2) 0.0496(13) Uani 1 1 d . U . . .
H76 H -0.134154 0.680821 0.698977 0.060 Uiso 1 1 calc R U . . .
C10 C 0.2144(5) 0.5860(3) 0.12242(19) 0.0421(11) Uani 1 1 d . U . . .
H10 H 0.168495 0.602369 0.154108 0.051 Uiso 1 1 calc R U . . .
C72 C 0.6017(4) 0.7946(3) 0.7551(2) 0.0406(10) Uani 1 1 d . U . . .
H72 H 0.566348 0.787388 0.788724 0.049 Uiso 1 1 calc R U . . .
C67 C 0.6214(4) 0.7047(3) 0.6665(2) 0.0473(12) Uani 1 1 d . U . . .
H67 H 0.632339 0.748007 0.650952 0.057 Uiso 1 1 calc R U . . .
C74 C 0.7340(5) 0.8366(3) 0.7695(3) 0.0541(14) Uani 1 1 d . U . . .
H74A H 0.779954 0.807019 0.788685 0.081 Uiso 1 1 calc R U . . .
H74B H 0.733564 0.887873 0.791880 0.081 Uiso 1 1 calc R U . . .
H74C H 0.772897 0.841606 0.737008 0.081 Uiso 1 1 calc R U . . .
C80 C -0.0141(4) 0.7746(3) 0.8774(2) 0.0422(11) Uani 1 1 d . U . . .
H80 H -0.038060 0.759313 0.908711 0.051 Uiso 1 1 calc R U . . .
C57 C 0.3257(4) 0.5389(3) 0.89109(19) 0.0391(10) Uani 1 1 d . U . . .
H57 H 0.383169 0.540668 0.862666 0.047 Uiso 1 1 calc R U . . .
N11 N 0.3117(11) 0.5762(6) 0.5662(4) 0.049(3) Uani 0.613(4) 1 d D U P C 1
H11 H 0.317201 0.527909 0.566171 0.059 Uiso 0.613(4) 1 calc R U P C 1
C13 C 0.2608(4) 0.8748(3) 0.13148(18) 0.0368(9) Uani 1 1 d . U . . .
H13 H 0.194647 0.867305 0.155644 0.044 Uiso 1 1 calc R U . . .
C86 C 0.0988(5) 0.8445(3) 0.7370(2) 0.0434(11) Uani 1 1 d . U . . .
H86A H 0.165863 0.817572 0.723864 0.065 Uiso 1 1 calc R U . . .
H86B H 0.127115 0.900250 0.745378 0.065 Uiso 1 1 calc R U . . .
H86C H 0.029752 0.831584 0.709797 0.065 Uiso 1 1 calc R U . . .
C11 C 0.1228(5) 0.5394(3) 0.0774(2) 0.0499(12) Uani 1 1 d . U . . .
H11B H 0.062778 0.571220 0.069445 0.075 Uiso 1 1 calc R U . . .
H11C H 0.080336 0.493997 0.087863 0.075 Uiso 1 1 calc R U . . .
H11D H 0.166012 0.522908 0.045883 0.075 Uiso 1 1 calc R U . . .
C77 C -0.0190(5) 0.6135(3) 0.6603(3) 0.0598(16) Uani 1 1 d . U . . .
H77 H -0.063804 0.587671 0.627589 0.072 Uiso 1 1 calc R U . . .
C81 C 0.0082(4) 0.8524(3) 0.8775(2) 0.0416(10) Uani 1 1 d . U . . .
O4 O 0.2215(8) 0.6790(4) 0.6021(3) 0.054(2) Uani 0.613(4) 1 d . U P C 1
C41 C 0.3915(5) 0.8772(4) 0.4089(2) 0.0515(13) Uani 1 1 d . U . . .
C29 C 0.7039(4) 0.8373(3) 0.3279(2) 0.0495(13) Uani 1 1 d . U . . .
H29 H 0.789815 0.851413 0.326922 0.059 Uiso 1 1 calc R U . . .
C30 C 0.6462(5) 0.8203(4) 0.3687(2) 0.0532(14) Uani 1 1 d . U . . .
H30 H 0.683436 0.820337 0.402445 0.064 Uiso 1 1 calc R U . . .
C69 C 0.5756(5) 0.5053(3) 0.7351(2) 0.0449(11) Uani 1 1 d . U . . .
H69 H 0.599063 0.523588 0.774055 0.054 Uiso 1 1 calc R U . . .
C38 C 0.7334(6) 0.9216(3) 0.0957(2) 0.0563(14) Uani 1 1 d . U . . .
H38A H 0.806546 0.900560 0.083541 0.084 Uiso 1 1 calc R U . . .
H38B H 0.749909 0.977908 0.102429 0.084 Uiso 1 1 calc R U . . .
H38C H 0.664945 0.901746 0.068443 0.084 Uiso 1 1 calc R U . . .
C84 C -0.0233(5) 0.6338(3) 0.8333(3) 0.0515(14) Uani 1 1 d . U . . .
H84A H -0.075051 0.604558 0.801599 0.077 Uiso 1 1 calc R U . . .
H84B H -0.064037 0.626694 0.864990 0.077 Uiso 1 1 calc R U . . .
H84C H 0.055695 0.615196 0.833866 0.077 Uiso 1 1 calc R U . . .
C37 C 0.6179(5) 0.7110(3) 0.1915(2) 0.0463(12) Uani 1 1 d . U . . .
H37A H 0.655218 0.701357 0.223993 0.069 Uiso 1 1 calc R U . . .
H37B H 0.651383 0.681527 0.160698 0.069 Uiso 1 1 calc R U . . .
H37C H 0.528935 0.695057 0.189313 0.069 Uiso 1 1 calc R U . . .
C66 C 0.6252(5) 0.6329(4) 0.6360(2) 0.0553(14) Uani 1 1 d . U . . .
H66 H 0.636710 0.627055 0.599385 0.066 Uiso 1 1 calc R U . . .
C39 C 0.6476(5) 0.9901(3) 0.2882(2) 0.0467(11) Uani 1 1 d . U . . .
H39A H 0.717830 0.994351 0.313761 0.070 Uiso 1 1 calc R U . . .
H39B H 0.571630 0.974680 0.303722 0.070 Uiso 1 1 calc R U . . .
H39C H 0.645764 1.039963 0.279126 0.070 Uiso 1 1 calc R U . . .
O5 O 0.2550(8) 0.7506(4) 0.4920(3) 0.0607(19) Uani 0.613(4) 1 d D U P C 1
C58 C 0.3886(5) 0.5103(3) 0.9351(2) 0.0505(12) Uani 1 1 d . U . . .
H58A H 0.333646 0.507835 0.963408 0.076 Uiso 1 1 calc R U . . .
H58B H 0.464340 0.545865 0.949485 0.076 Uiso 1 1 calc R U . . .
H58C H 0.408188 0.458892 0.920699 0.076 Uiso 1 1 calc R U . . .
F11 F 0.5724(7) 0.6537(4) 0.3962(2) 0.073(2) Uani 0.582(10) 1 d D U P A 1
C22 C -0.0050(5) 0.6511(3) 0.2970(2) 0.0484(12) Uani 1 1 d . U . . .
H22 H 0.036845 0.643012 0.263419 0.058 Uiso 1 1 calc R U . . .
C40 C 0.4274(5) 0.7974(3) 0.3884(2) 0.0481(12) Uani 1 1 d . U . . .
H40A H 0.456478 0.777447 0.418579 0.058 Uiso 1 1 calc R U . . .
H40B H 0.354797 0.761127 0.369558 0.058 Uiso 1 1 calc R U . . .
C70 C 0.4411(5) 0.4684(3) 0.7280(2) 0.0532(13) Uani 1 1 d . U . . .
H70A H 0.415700 0.449128 0.690193 0.080 Uiso 1 1 calc R U . . .
H70B H 0.390892 0.506814 0.743465 0.080 Uiso 1 1 calc R U . . .
H70C H 0.430212 0.425518 0.745888 0.080 Uiso 1 1 calc R U . . .
C85 C -0.0056(6) 0.9119(4) 0.9273(2) 0.0614(15) Uani 1 1 d . U . . .
H85A H 0.069104 0.921596 0.951213 0.092 Uiso 1 1 calc R U . . .
H85B H -0.075741 0.892586 0.945014 0.092 Uiso 1 1 calc R U . . .
H85C H -0.019212 0.959916 0.917724 0.092 Uiso 1 1 calc R U . . .
C62 C 0.3604(6) 0.8664(3) 0.8715(3) 0.0583(15) Uani 1 1 d . U . . .
H62A H 0.293200 0.887163 0.889992 0.087 Uiso 1 1 calc R U . . .
H62B H 0.326874 0.828050 0.839224 0.087 Uiso 1 1 calc R U . . .
H62C H 0.415457 0.908297 0.862163 0.087 Uiso 1 1 calc R U . . .
C15 C 0.3648(6) 0.9338(3) 0.1634(3) 0.0605(15) Uani 1 1 d . U . . .
H15A H 0.429435 0.944568 0.140318 0.091 Uiso 1 1 calc R U . . .
H15B H 0.398435 0.913454 0.192177 0.091 Uiso 1 1 calc R U . . .
H15C H 0.333755 0.981467 0.178432 0.091 Uiso 1 1 calc R U . . .
C65 C 0.6124(5) 0.5690(4) 0.6575(2) 0.0502(13) Uani 1 1 d . U . . .
H65 H 0.616970 0.519897 0.635715 0.060 Uiso 1 1 calc R U . . .
C59 C 0.2104(6) 0.4826(4) 0.8671(3) 0.0691(19) Uani 1 1 d . U . . .
H59A H 0.232024 0.431496 0.853427 0.104 Uiso 1 1 calc R U . . .
H59B H 0.172121 0.500312 0.838142 0.104 Uiso 1 1 calc R U . . .
H59C H 0.152769 0.479607 0.894396 0.104 Uiso 1 1 calc R U . . .
N6 N 0.3328(7) 0.9233(4) 0.5538(2) 0.0760(18) Uani 0.738(13) 1 d D U P D 1
C14 C 0.2060(6) 0.9036(3) 0.0856(2) 0.0568(14) Uani 1 1 d . U . . .
H14A H 0.177097 0.952420 0.099551 0.085 Uiso 1 1 calc R U . . .
H14B H 0.137077 0.865350 0.066750 0.085 Uiso 1 1 calc R U . . .
H14C H 0.268845 0.911614 0.061136 0.085 Uiso 1 1 calc R U . . .
O3 O 0.1518(8) 0.9366(6) 0.5925(3) 0.100(3) Uani 0.738(13) 1 d D U P D 1
C24 C 0.0593(6) 0.6123(4) 0.3358(3) 0.0617(15) Uani 1 1 d . U . . .
H24A H 0.142881 0.639963 0.346360 0.093 Uiso 1 1 calc R U . . .
H24B H 0.062309 0.558645 0.318420 0.093 Uiso 1 1 calc R U . . .
H24C H 0.013404 0.613723 0.367293 0.093 Uiso 1 1 calc R U . . .
O2 O 0.5168(7) 0.8830(5) 0.5295(4) 0.091(3) Uani 0.738(13) 1 d D U P D 1
C12 C 0.3053(6) 0.5353(4) 0.1366(3) 0.0687(19) Uani 1 1 d . U . . .
H12A H 0.345005 0.514087 0.104943 0.103 Uiso 1 1 calc R U . . .
H12B H 0.261222 0.492962 0.149891 0.103 Uiso 1 1 calc R U . . .
H12C H 0.367633 0.566316 0.163969 0.103 Uiso 1 1 calc R U . . .
C87 C 0.1828(12) 0.5666(7) 0.6380(4) 0.037(3) Uani 0.613(4) 1 d . U P C 1
H87A H 0.249884 0.552344 0.658592 0.045 Uiso 0.613(4) 1 calc R U P C 1
H87B H 0.134726 0.518231 0.616327 0.045 Uiso 0.613(4) 1 calc R U P C 1
C42 C 0.2610(7) 0.9470(4) 0.4687(3) 0.0714(18) Uani 1 1 d D U . . .
H42A H 0.171961 0.935794 0.472439 0.086 Uiso 0.738(13) 1 calc R U P D 1
H42B H 0.274022 0.985592 0.446734 0.086 Uiso 0.738(13) 1 calc R U P D 1
H42C H 0.174678 0.933854 0.476334 0.086 Uiso 0.262(13) 1 calc R U P D 2
H42D H 0.262601 0.982082 0.444109 0.086 Uiso 0.262(13) 1 calc R U P D 2
C23 C -0.1385(6) 0.6124(4) 0.2842(3) 0.0638(16) Uani 1 1 d . U . . .
H23A H -0.181429 0.619685 0.316589 0.096 Uiso 1 1 calc R U . . .
H23B H -0.141751 0.557155 0.269322 0.096 Uiso 1 1 calc R U . . .
H23C H -0.178052 0.635422 0.258281 0.096 Uiso 1 1 calc R U . . .
N12 N 0.1934(7) 0.6188(4) 0.4743(2) 0.0452(14) Uani 0.613(4) 1 d D U P C 1
C61 C 0.4917(7) 0.8860(4) 0.9570(2) 0.076(2) Uani 1 1 d . U . . .
H61A H 0.550173 0.925746 0.947043 0.115 Uiso 1 1 calc R U . . .
H61B H 0.534952 0.859162 0.979306 0.115 Uiso 1 1 calc R U . . .
H61C H 0.428839 0.910218 0.976772 0.115 Uiso 1 1 calc R U . . .
C88 C 0.2396(8) 0.6137(6) 0.6006(3) 0.040(2) Uani 0.613(4) 1 d . U P C 1
C43 C 0.3277(11) 0.9801(6) 0.5226(3) 0.070(2) Uani 0.738(13) 1 d D U P D 1
H43A H 0.412316 1.003274 0.518318 0.084 Uiso 0.738(13) 1 calc R U P D 1
H43B H 0.286158 1.021583 0.541863 0.084 Uiso 0.738(13) 1 calc R U P D 1
C73 C 0.5226(5) 0.8427(4) 0.7301(3) 0.0636(17) Uani 1 1 d . U . . .
H73A H 0.559290 0.854762 0.698730 0.095 Uiso 1 1 calc R U . . .
H73B H 0.517994 0.890646 0.755881 0.095 Uiso 1 1 calc R U . . .
H73C H 0.439912 0.813433 0.719842 0.095 Uiso 1 1 calc R U . . .
O6 O 0.0715(8) 0.5017(4) 0.4566(2) 0.075(2) Uani 0.613(4) 1 d D U P C 1
C27 C 0.2179(7) 0.9849(4) 0.3088(3) 0.081(2) Uani 1 1 d . U . . .
H27A H 0.251832 1.017823 0.285852 0.122 Uiso 1 1 calc R U . . .
H27B H 0.279930 0.955351 0.318290 0.122 Uiso 1 1 calc R U . . .
H27C H 0.194049 1.016977 0.341101 0.122 Uiso 1 1 calc R U . . .
C26 C 0.0065(6) 0.9731(5) 0.2659(3) 0.085(2) Uani 1 1 d . U . . .
H26A H -0.020856 1.002266 0.298481 0.127 Uiso 1 1 calc R U . . .
H26B H -0.062814 0.936390 0.245860 0.127 Uiso 1 1 calc R U . . .
H26C H 0.038646 1.008721 0.244331 0.127 Uiso 1 1 calc R U . . .
C47 C 0.2432(8) 0.9054(5) 0.5868(3) 0.079(2) Uani 0.738(13) 1 d D U P D 1
C89 C 0.3781(11) 0.6121(7) 0.5306(4) 0.053(3) Uani 0.613(4) 1 d D U P C 1
H89A H 0.459088 0.594877 0.528354 0.063 Uiso 0.613(4) 1 calc R U P C 1
H89B H 0.392530 0.668472 0.545086 0.063 Uiso 0.613(4) 1 calc R U P C 1
C71 C 0.6565(7) 0.4460(4) 0.7131(4) 0.080(2) Uani 1 1 d . U . . .
H71A H 0.649040 0.405407 0.733013 0.120 Uiso 1 1 calc R U . . .
H71B H 0.742097 0.471237 0.716459 0.120 Uiso 1 1 calc R U . . .
H71C H 0.630249 0.423296 0.675658 0.120 Uiso 1 1 calc R U . . .
C92 C 0.0420(8) 0.6926(6) 0.4918(3) 0.0515(17) Uani 0.613(4) 1 d D U P C 1
H92 H 0.002046 0.736329 0.500986 0.062 Uiso 0.613(4) 1 calc R U P C 1
C44 C 0.4262(8) 0.8791(5) 0.5551(3) 0.084(2) Uani 0.738(13) 1 d D U P D 1
C46 C 0.2831(11) 0.8459(6) 0.6104(3) 0.083(2) Uani 0.738(13) 1 d D U P D 1
H46 H 0.239964 0.821763 0.634734 0.100 Uiso 0.738(13) 1 calc R U P D 1
C94 C 0.0826(8) 0.5714(5) 0.46859(18) 0.0509(17) Uani 0.613(4) 1 d D U P C 1
C93 C -0.0111(8) 0.6217(5) 0.4815(3) 0.0546(17) Uani 0.613(4) 1 d D U P C 1
H93 H -0.096324 0.604707 0.482058 0.065 Uiso 0.613(4) 1 calc R U P C 1
C45 C 0.3909(11) 0.8305(6) 0.5923(4) 0.089(3) Uani 0.738(13) 1 d D U P D 1
H45 H 0.436582 0.794128 0.601984 0.106 Uiso 0.738(13) 1 calc R U P D 1
C90 C 0.3139(9) 0.5951(5) 0.4742(3) 0.0498(19) Uani 0.613(4) 1 d D U P C 1
H90A H 0.365578 0.622770 0.451968 0.060 Uiso 0.613(4) 1 calc R U P C 1
H90B H 0.305034 0.539243 0.458233 0.060 Uiso 0.613(4) 1 calc R U P C 1
C1A C 0.7626(12) 0.8246(10) 0.5666(6) 0.089(3) Uani 0.570(5) 1 d D U P B 1
H1AA H 0.715838 0.858019 0.590690 0.107 Uiso 0.570(5) 1 calc R U P B 1
H1AB H 0.703953 0.782557 0.543220 0.107 Uiso 0.570(5) 1 calc R U P B 1
C90A C 0.2475(12) 0.5722(8) 0.4902(5) 0.050(2) Uani 0.387(4) 1 d D U P C 2
H90C H 0.288106 0.583350 0.458897 0.060 Uiso 0.387(4) 1 calc R U P C 2
H90D H 0.206659 0.517844 0.481122 0.060 Uiso 0.387(4) 1 calc R U P C 2
N12A N 0.1569(9) 0.6231(6) 0.5041(3) 0.0497(18) Uani 0.387(4) 1 d D U P C 2
C91A C 0.1616(11) 0.6939(7) 0.4913(4) 0.048(2) Uani 0.387(4) 1 d D U P C 2
C94A C 0.0544(10) 0.6096(6) 0.5316(3) 0.049(2) Uani 0.387(4) 1 d D U P C 2
C93A C -0.0066(11) 0.6788(7) 0.5351(4) 0.054(2) Uani 0.387(4) 1 d D U P C 2
H93A H -0.079787 0.686394 0.551825 0.065 Uiso 0.387(4) 1 calc R U P C 2
C92A C 0.0564(11) 0.7277(8) 0.5117(4) 0.051(2) Uani 0.387(4) 1 d D U P C 2
H92A H 0.036878 0.776219 0.508560 0.061 Uiso 0.387(4) 1 calc R U P C 2
O6A O 0.0223(9) 0.5527(5) 0.5489(3) 0.053(2) Uani 0.387(4) 1 d D U P C 2
O5A O 0.2410(10) 0.7223(7) 0.4672(4) 0.051(2) Uani 0.387(4) 1 d D U P C 2
P2A P 0.6819(6) 0.6589(4) 0.4458(2) 0.0471(12) Uani 0.418(10) 1 d D U P A 2
F11A F 0.6536(12) 0.6675(5) 0.3863(3) 0.083(3) Uani 0.418(10) 1 d D U P A 2
F12A F 0.5769(7) 0.7080(5) 0.4639(4) 0.062(3) Uani 0.418(10) 1 d D U P A 2
F10A F 0.7844(9) 0.6088(5) 0.4256(4) 0.066(3) Uani 0.418(10) 1 d D U P A 2
F7A F 0.7812(8) 0.7357(5) 0.4567(4) 0.048(2) Uani 0.418(10) 1 d D U P A 2
F9A F 0.7079(9) 0.6498(6) 0.5037(4) 0.068(3) Uani 0.418(10) 1 d D U P A 2
F8A F 0.5814(9) 0.5807(5) 0.4334(4) 0.066(3) Uani 0.418(10) 1 d D U P A 2
O3A O 0.114(2) 0.9510(15) 0.5667(12) 0.124(6) Uani 0.262(13) 1 d D U P D 2
C47A C 0.2031(19) 0.9205(12) 0.5751(8) 0.084(3) Uani 0.262(13) 1 d D U P D 2
C46A C 0.222(2) 0.8630(14) 0.6064(8) 0.083(3) Uani 0.262(13) 1 d D U P D 2
H46A H 0.161714 0.840440 0.625894 0.099 Uiso 0.262(13) 1 calc R U P D 2
C45A C 0.337(3) 0.8480(13) 0.6030(9) 0.083(3) Uani 0.262(13) 1 d D U P D 2
H45A H 0.371359 0.813121 0.619655 0.099 Uiso 0.262(13) 1 calc R U P D 2
C44A C 0.4003(18) 0.8939(12) 0.5694(7) 0.084(3) Uani 0.262(13) 1 d D U P D 2
O2A O 0.5059(18) 0.8964(17) 0.5565(12) 0.113(6) Uani 0.262(13) 1 d D U P D 2
N6A N 0.3144(16) 0.9358(10) 0.5541(5) 0.078(3) Uani 0.262(13) 1 d D U P D 2
C43A C 0.335(3) 0.9900(14) 0.5203(7) 0.074(3) Uani 0.262(13) 1 d D U P D 2
H43C H 0.423568 1.001556 0.514842 0.088 Uiso 0.262(13) 1 calc R U P D 2
H43D H 0.305541 1.038749 0.535311 0.088 Uiso 0.262(13) 1 calc R U P D 2
Cl1A Cl 0.8511(7) 0.8310(5) 0.6156(2) 0.1072(9) Uani 0.430(5) 1 d D U P B 2
Cl2A Cl 0.8910(8) 0.9066(6) 0.5287(3) 0.1072(9) Uani 0.430(5) 1 d D U P B 2
C1B C 0.7740(14) 0.8531(15) 0.5603(8) 0.095(4) Uani 0.430(5) 1 d D U P B 2
H1BA H 0.710181 0.884703 0.572076 0.114 Uiso 0.430(5) 1 calc R U P B 2
H1BB H 0.734502 0.805145 0.535097 0.114 Uiso 0.430(5) 1 calc R U P B 2
O4A O 0.2435(10) 0.6735(6) 0.6254(4) 0.038(2) Uani 0.387(4) 1 d D U P C 2
C88A C 0.2410(10) 0.6033(8) 0.6196(5) 0.034(3) Uani 0.387(4) 1 d D U P C 2
C87A C 0.1753(17) 0.5569(11) 0.6550(6) 0.032(4) Uani 0.387(4) 1 d D U P C 2
H87C H 0.128835 0.507360 0.634251 0.039 Uiso 0.387(4) 1 calc R U P C 2
H87D H 0.232857 0.546900 0.682143 0.039 Uiso 0.387(4) 1 calc R U P C 2
C89A C 0.3446(14) 0.5854(10) 0.5381(7) 0.046(4) Uani 0.387(4) 1 d D U P C 2
H89C H 0.412842 0.557275 0.526855 0.055 Uiso 0.387(4) 1 calc R U P C 2
H89D H 0.378500 0.640956 0.549087 0.055 Uiso 0.387(4) 1 calc R U P C 2
N11A N 0.2963(14) 0.5608(8) 0.5815(6) 0.039(3) Uani 0.387(4) 1 d D U P C 2
H11A H 0.302737 0.513619 0.584082 0.046 Uiso 0.387(4) 1 calc R U P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.026(4) . ?
Au1 C28 2.036(4) . ?
Au2 C48 2.035(4) . ?
Au2 C75 2.038(4) . ?
P1 F2 1.599(3) . ?
P1 F6 1.587(3) . ?
P1 F5 1.599(3) . ?
P1 F3 1.600(3) . ?
P1 F1 1.585(3) . ?
P1 F4 1.598(3) . ?
P2 F9 1.607(7) . ?
P2 F7 1.603(8) . ?
P2 F12 1.590(6) . ?
P2 F10 1.612(6) . ?
P2 F8 1.606(8) . ?
P2 F11 1.586(6) . ?
Cl2 C1A 1.832(12) . ?
N8 C48 1.336(5) . ?
N8 C50 1.392(5) . ?
N8 C63 1.438(5) . ?
N2 C1 1.343(5) . ?
N2 C3 1.382(5) . ?
N2 C16 1.445(5) . ?
N1 C1 1.345(5) . ?
N1 C4 1.440(5) . ?
N1 C2 1.380(5) . ?
N7 C48 1.339(5) . ?
N7 C51 1.442(5) . ?
N7 C49 1.384(5) . ?
Cl1 C1A 1.800(11) . ?
N9 C78 1.432(6) . ?
N9 C75 1.345(6) . ?
N9 C76 1.384(6) . ?
N3 C28 1.337(6) . ?
N3 C31 1.436(6) . ?
N3 C29 1.382(6) . ?
O1 C41 1.207(7) . ?
N4 C28 1.342(6) . ?
N4 C30 1.379(6) . ?
N4 C40 1.439(7) . ?
C4 C9 1.403(6) . ?
C4 C5 1.398(6) . ?
N10 C75 1.333(7) . ?
N10 C77 1.391(6) . ?
N10 C87 1.534(13) . ?
N10 C87A 1.36(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.343(6) . ?
C56 C55 1.389(6) . ?
C56 C51 1.403(6) . ?
C56 C60 1.518(6) . ?
C54 H54 0.9500 . ?
C54 C55 1.383(7) . ?
C54 C53 1.384(7) . ?
C7 H7 0.9500 . ?
C7 C6 1.377(7) . ?
C7 C8 1.385(7) . ?
C55 H55 0.9500 . ?
C9 C8 1.391(6) . ?
C9 C13 1.518(6) . ?
C3 H3 0.9500 . ?
C50 H50 0.9500 . ?
C50 C49 1.356(6) . ?
C51 C52 1.401(6) . ?
C21 C16 1.399(6) . ?
C21 C20 1.393(6) . ?
C21 C25 1.522(7) . ?
C53 H53 0.9500 . ?
C53 C52 1.400(6) . ?
C16 C17 1.399(6) . ?
C49 H49 0.9500 . ?
C36 C35 1.390(6) . ?
C36 C31 1.394(6) . ?
C36 C39 1.506(7) . ?
C35 H35 0.9500 . ?
C35 C34 1.392(7) . ?
C20 H20 0.9500 . ?
C20 C19 1.380(7) . ?
C32 C31 1.394(7) . ?
C32 C33 1.385(7) . ?
C32 C37 1.514(6) . ?
C63 C68 1.403(6) . ?
C63 C64 1.394(6) . ?
C52 C57 1.514(6) . ?
C60 H60 1.0000 . ?
C60 C62 1.516(7) . ?
C60 C61 1.519(7) . ?
C6 H6 0.9500 . ?
C6 C5 1.396(7) . ?
C25 H25 1.0000 . ?
C25 C27 1.517(8) . ?
C25 C26 1.513(7) . ?
C34 C33 1.385(7) . ?
C34 C38 1.507(7) . ?
C68 C72 1.513(7) . ?
C68 C67 1.400(7) . ?
C5 C10 1.521(6) . ?
C78 C83 1.387(6) . ?
C78 C79 1.393(6) . ?
C82 H82 0.9500 . ?
C82 C83 1.385(7) . ?
C82 C81 1.390(7) . ?
C19 H19 0.9500 . ?
C19 C18 1.360(8) . ?
C17 C18 1.397(7) . ?
C17 C22 1.525(7) . ?
C64 C69 1.516(7) . ?
C64 C65 1.400(7) . ?
C83 C86 1.509(6) . ?
C18 H18 0.9500 . ?
N5 H5 0.8800 . ?
N5 C41 1.337(8) . ?
N5 C42 1.455(9) . ?
C8 H8 0.9500 . ?
C33 H33 0.9500 . ?
C91 O5 1.225(10) . ?
C91 N12 1.387(10) . ?
C91 C92 1.469(11) . ?
C79 C80 1.394(7) . ?
C79 C84 1.511(7) . ?
C76 H76 0.9500 . ?
C76 C77 1.325(8) . ?
C10 H10 1.0000 . ?
C10 C11 1.519(7) . ?
C10 C12 1.536(8) . ?
C72 H72 1.0000 . ?
C72 C74 1.535(7) . ?
C72 C73 1.531(7) . ?
C67 H67 0.9500 . ?
C67 C66 1.370(9) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C80 H80 0.9500 . ?
C80 C81 1.386(7) . ?
C57 H57 1.0000 . ?
C57 C58 1.530(7) . ?
C57 C59 1.521(8) . ?
N11 H11 0.8800 . ?
N11 C88 1.361(15) . ?
N11 C89 1.415(12) . ?
C13 H13 1.0000 . ?
C13 C15 1.520(7) . ?
C13 C14 1.532(6) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 H11D 0.9800 . ?
C77 H77 0.9500 . ?
C81 C85 1.518(8) . ?
O4 C88 1.214(13) . ?
C41 C40 1.537(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.331(8) . ?
C30 H30 0.9500 . ?
C69 H69 1.0000 . ?
C69 C70 1.524(7) . ?
C69 C71 1.527(8) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C66 H66 0.9500 . ?
C66 C65 1.378(9) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C22 H22 1.0000 . ?
C22 C24 1.545(8) . ?
C22 C23 1.526(8) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C65 H65 0.9500 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
N6 C43 1.441(9) . ?
N6 C47 1.389(9) . ?
N6 C44 1.397(9) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
O3 C47 1.226(10) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
O2 C44 1.231(9) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C87 C88 1.522(13) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 H42C 0.9900 . ?
C42 H42D 0.9900 . ?
C42 C43 1.505(10) . ?
C42 C43A 1.524(17) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
N12 C94 1.370(11) . ?
N12 C90 1.457(11) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
O6 C94 1.213(10) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C47 C46 1.455(11) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 C90 1.544(13) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C92 H92 0.9500 . ?
C92 C93 1.290(13) . ?
C44 C45 1.470(11) . ?
C46 H46 0.9500 . ?
C46 C45 1.347(11) . ?
C94 C93 1.478(12) . ?
C93 H93 0.9500 . ?
C45 H45 0.9500 . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C90A H90C 0.9900 . ?
C90A H90D 0.9900 . ?
C90A N12A 1.461(14) . ?
C90A C89A 1.557(15) . ?
N12A C91A 1.381(14) . ?
N12A C94A 1.389(14) . ?
C91A C92A 1.460(15) . ?
C91A O5A 1.219(13) . ?
C94A C93A 1.488(16) . ?
C94A O6A 1.221(13) . ?
C93A H93A 0.9500 . ?
C93A C92A 1.315(16) . ?
C92A H92A 0.9500 . ?
P2A F11A 1.605(9) . ?
P2A F12A 1.588(9) . ?
P2A F10A 1.589(9) . ?
P2A F7A 1.599(8) . ?
P2A F9A 1.564(10) . ?
P2A F8A 1.624(9) . ?
O3A C47A 1.230(13) . ?
C47A C46A 1.479(14) . ?
C47A N6A 1.386(12) . ?
C46A H46A 0.9500 . ?
C46A C45A 1.343(14) . ?
C45A H45A 0.9500 . ?
C45A C44A 1.463(14) . ?
C44A O2A 1.228(13) . ?
C44A N6A 1.389(12) . ?
N6A C43A 1.453(12) . ?
C43A H43C 0.9900 . ?
C43A H43D 0.9900 . ?
Cl1A C1B 1.782(13) . ?
Cl2A C1B 1.833(13) . ?
C1B H1BA 0.9900 . ?
C1B H1BB 0.9900 . ?
O4A C88A 1.237(15) . ?
C88A C87A 1.514(14) . ?
C88A N11A 1.343(16) . ?
C87A H87C 0.9900 . ?
C87A H87D 0.9900 . ?
C89A H89C 0.9900 . ?
C89A H89D 0.9900 . ?
C89A N11A 1.400(15) . ?
N11A H11A 0.8800 . ?

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 C28 179.00(16) . . ?
C48 Au2 C75 178.39(17) . . ?
F2 P1 F3 90.28(16) . . ?
F6 P1 F2 89.46(18) . . ?
F6 P1 F5 88.90(16) . . ?
F6 P1 F3 90.43(16) . . ?
F6 P1 F4 179.0(2) . . ?
F5 P1 F2 89.92(16) . . ?
F5 P1 F3 179.30(18) . . ?
F1 P1 F2 178.9(2) . . ?
F1 P1 F6 91.6(2) . . ?
F1 P1 F5 90.27(17) . . ?
F1 P1 F3 89.54(17) . . ?
F1 P1 F4 89.27(19) . . ?
F4 P1 F2 89.64(18) . . ?
F4 P1 F5 90.78(17) . . ?
F4 P1 F3 89.89(17) . . ?
F9 P2 F10 89.2(3) . . ?
F7 P2 F9 89.8(5) . . ?
F7 P2 F10 89.4(3) . . ?
F7 P2 F8 178.5(4) . . ?
F12 P2 F9 89.9(3) . . ?
F12 P2 F7 90.6(3) . . ?
F12 P2 F10 179.2(4) . . ?
F12 P2 F8 90.5(3) . . ?
F8 P2 F9 89.1(4) . . ?
F8 P2 F10 89.6(3) . . ?
F11 P2 F9 179.2(4) . . ?
F11 P2 F7 90.5(4) . . ?
F11 P2 F12 90.8(3) . . ?
F11 P2 F10 90.1(3) . . ?
F11 P2 F8 90.6(4) . . ?
C48 N8 C50 110.3(3) . . ?
C48 N8 C63 123.7(3) . . ?
C50 N8 C63 125.9(3) . . ?
C1 N2 C3 110.3(3) . . ?
C1 N2 C16 125.2(3) . . ?
C3 N2 C16 124.3(3) . . ?
C1 N1 C4 124.2(3) . . ?
C1 N1 C2 110.4(3) . . ?
C2 N1 C4 125.2(3) . . ?
C48 N7 C51 124.1(3) . . ?
C48 N7 C49 110.7(3) . . ?
C49 N7 C51 125.1(3) . . ?
C75 N9 C78 126.3(4) . . ?
C75 N9 C76 109.5(4) . . ?
C76 N9 C78 124.1(4) . . ?
N8 C48 Au2 127.3(3) . . ?
N8 C48 N7 106.2(3) . . ?
N7 C48 Au2 126.5(3) . . ?
N2 C1 Au1 126.7(3) . . ?
N2 C1 N1 105.6(3) . . ?
N1 C1 Au1 127.6(3) . . ?
C28 N3 C31 126.0(4) . . ?
C28 N3 C29 110.1(4) . . ?
C29 N3 C31 123.5(4) . . ?
C28 N4 C30 109.6(4) . . ?
C28 N4 C40 124.2(4) . . ?
C30 N4 C40 124.5(4) . . ?
C9 C4 N1 117.9(4) . . ?
C5 C4 N1 118.9(4) . . ?
C5 C4 C9 123.1(4) . . ?
C75 N10 C77 110.1(4) . . ?
C75 N10 C87 127.2(6) . . ?
C75 N10 C87A 118.5(8) . . ?
C77 N10 C87 121.1(6) . . ?
C87A N10 C77 131.0(8) . . ?
N1 C2 H2 126.6 . . ?
C3 C2 N1 106.8(4) . . ?
C3 C2 H2 126.6 . . ?
C55 C56 C51 116.8(4) . . ?
C55 C56 C60 121.4(4) . . ?
C51 C56 C60 121.7(4) . . ?
C55 C54 H54 119.8 . . ?
C55 C54 C53 120.4(4) . . ?
C53 C54 H54 119.8 . . ?
C6 C7 H7 119.8 . . ?
C6 C7 C8 120.4(4) . . ?
C8 C7 H7 119.8 . . ?
C56 C55 H55 119.3 . . ?
C54 C55 C56 121.4(4) . . ?
C54 C55 H55 119.3 . . ?
C4 C9 C13 121.9(4) . . ?
C8 C9 C4 117.1(4) . . ?
C8 C9 C13 121.0(4) . . ?
N2 C3 H3 126.6 . . ?
C2 C3 N2 106.9(4) . . ?
C2 C3 H3 126.6 . . ?
N8 C50 H50 126.8 . . ?
C49 C50 N8 106.4(4) . . ?
C49 C50 H50 126.8 . . ?
C56 C51 N7 117.9(4) . . ?
C52 C51 N7 118.6(4) . . ?
C52 C51 C56 123.5(4) . . ?
C16 C21 C25 121.9(4) . . ?
C20 C21 C16 117.3(4) . . ?
C20 C21 C25 120.8(4) . . ?
C54 C53 H53 119.5 . . ?
C54 C53 C52 121.0(4) . . ?
C52 C53 H53 119.5 . . ?
C21 C16 N2 118.7(4) . . ?
C21 C16 C17 122.4(4) . . ?
C17 C16 N2 118.8(4) . . ?
N7 C49 H49 126.8 . . ?
C50 C49 N7 106.4(4) . . ?
C50 C49 H49 126.8 . . ?
C35 C36 C31 117.7(4) . . ?
C35 C36 C39 121.0(4) . . ?
C31 C36 C39 121.3(4) . . ?
C36 C35 H35 119.0 . . ?
C36 C35 C34 122.0(4) . . ?
C34 C35 H35 119.0 . . ?
C21 C20 H20 119.6 . . ?
C19 C20 C21 120.8(5) . . ?
C19 C20 H20 119.6 . . ?
C31 C32 C37 121.5(4) . . ?
C33 C32 C31 118.1(4) . . ?
C33 C32 C37 120.4(5) . . ?
N3 C28 Au1 127.8(3) . . ?
N3 C28 N4 106.2(4) . . ?
N4 C28 Au1 126.0(3) . . ?
C68 C63 N8 117.7(4) . . ?
C64 C63 N8 118.3(4) . . ?
C64 C63 C68 124.0(4) . . ?
C51 C52 C57 122.0(4) . . ?
C53 C52 C51 116.8(4) . . ?
C53 C52 C57 121.2(4) . . ?
C56 C60 H60 107.0 . . ?
C56 C60 C61 112.0(4) . . ?
C62 C60 C56 111.3(4) . . ?
C62 C60 H60 107.0 . . ?
C62 C60 C61 112.2(5) . . ?
C61 C60 H60 107.0 . . ?
C36 C31 N3 117.7(4) . . ?
C36 C31 C32 121.9(4) . . ?
C32 C31 N3 120.3(4) . . ?
C7 C6 H6 119.4 . . ?
C7 C6 C5 121.2(4) . . ?
C5 C6 H6 119.4 . . ?
C21 C25 H25 107.5 . . ?
C27 C25 C21 111.3(4) . . ?
C27 C25 H25 107.5 . . ?
C26 C25 C21 111.4(4) . . ?
C26 C25 H25 107.5 . . ?
C26 C25 C27 111.2(6) . . ?
C35 C34 C38 121.5(5) . . ?
C33 C34 C35 118.2(4) . . ?
C33 C34 C38 120.3(5) . . ?
C63 C68 C72 121.8(4) . . ?
C67 C68 C63 116.4(5) . . ?
C67 C68 C72 121.8(4) . . ?
C4 C5 C10 122.1(4) . . ?
C6 C5 C4 117.0(4) . . ?
C6 C5 C10 120.9(4) . . ?
C83 C78 N9 118.5(4) . . ?
C83 C78 C79 122.3(4) . . ?
C79 C78 N9 119.1(4) . . ?
C83 C82 H82 119.2 . . ?
C83 C82 C81 121.5(5) . . ?
C81 C82 H82 119.2 . . ?
C20 C19 H19 119.5 . . ?
C18 C19 C20 121.0(5) . . ?
C18 C19 H19 119.5 . . ?
C16 C17 C22 122.6(4) . . ?
C18 C17 C16 117.5(4) . . ?
C18 C17 C22 119.9(4) . . ?
C63 C64 C69 121.8(4) . . ?
C63 C64 C65 116.5(5) . . ?
C65 C64 C69 121.7(5) . . ?
C78 C83 C86 120.8(4) . . ?
C82 C83 C78 118.1(4) . . ?
C82 C83 C86 121.0(4) . . ?
C19 C18 C17 120.9(5) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C41 N5 H5 118.9 . . ?
C41 N5 C42 122.1(6) . . ?
C42 N5 H5 118.9 . . ?
N9 C75 Au2 127.2(4) . . ?
N10 C75 Au2 126.6(3) . . ?
N10 C75 N9 106.1(4) . . ?
C7 C8 C9 121.1(4) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C32 C33 H33 119.0 . . ?
C34 C33 C32 122.1(5) . . ?
C34 C33 H33 119.0 . . ?
O5 C91 N12 124.4(9) . . ?
O5 C91 C92 129.0(9) . . ?
N12 C91 C92 106.6(8) . . ?
C78 C79 C80 117.6(4) . . ?
C78 C79 C84 121.2(5) . . ?
C80 C79 C84 121.2(5) . . ?
N9 C76 H76 126.2 . . ?
C77 C76 N9 107.6(4) . . ?
C77 C76 H76 126.2 . . ?
C5 C10 H10 108.2 . . ?
C5 C10 C12 111.8(4) . . ?
C11 C10 C5 110.7(4) . . ?
C11 C10 H10 108.2 . . ?
C11 C10 C12 109.6(4) . . ?
C12 C10 H10 108.2 . . ?
C68 C72 H72 107.5 . . ?
C68 C72 C74 109.7(4) . . ?
C68 C72 C73 113.0(5) . . ?
C74 C72 H72 107.5 . . ?
C73 C72 H72 107.5 . . ?
C73 C72 C74 111.4(4) . . ?
C68 C67 H67 119.4 . . ?
C66 C67 C68 121.1(5) . . ?
C66 C67 H67 119.4 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C79 C80 H80 119.2 . . ?
C81 C80 C79 121.6(4) . . ?
C81 C80 H80 119.2 . . ?
C52 C57 H57 108.0 . . ?
C52 C57 C58 110.1(4) . . ?
C52 C57 C59 112.7(4) . . ?
C58 C57 H57 108.0 . . ?
C59 C57 H57 108.0 . . ?
C59 C57 C58 109.9(4) . . ?
C88 N11 H11 118.9 . . ?
C88 N11 C89 122.3(10) . . ?
C89 N11 H11 118.9 . . ?
C9 C13 H13 107.5 . . ?
C9 C13 C15 111.5(4) . . ?
C9 C13 C14 111.3(4) . . ?
C15 C13 H13 107.5 . . ?
C15 C13 C14 111.5(5) . . ?
C14 C13 H13 107.5 . . ?
C83 C86 H86A 109.5 . . ?
C83 C86 H86B 109.5 . . ?
C83 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
C10 C11 H11D 109.5 . . ?
H11B C11 H11C 109.5 . . ?
H11B C11 H11D 109.5 . . ?
H11C C11 H11D 109.5 . . ?
N10 C77 H77 126.7 . . ?
C76 C77 N10 106.6(5) . . ?
C76 C77 H77 126.7 . . ?
C82 C81 C85 121.3(5) . . ?
C80 C81 C82 118.8(5) . . ?
C80 C81 C85 120.0(5) . . ?
O1 C41 N5 125.0(6) . . ?
O1 C41 C40 121.6(5) . . ?
N5 C41 C40 113.3(5) . . ?
N3 C29 H29 126.7 . . ?
C30 C29 N3 106.7(4) . . ?
C30 C29 H29 126.7 . . ?
N4 C30 H30 126.3 . . ?
C29 C30 N4 107.5(4) . . ?
C29 C30 H30 126.3 . . ?
C64 C69 H69 107.5 . . ?
C64 C69 C70 110.3(4) . . ?
C64 C69 C71 113.1(5) . . ?
C70 C69 H69 107.5 . . ?
C70 C69 C71 110.6(5) . . ?
C71 C69 H69 107.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C79 C84 H84A 109.5 . . ?
C79 C84 H84B 109.5 . . ?
C79 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C67 C66 H66 119.5 . . ?
C67 C66 C65 121.0(5) . . ?
C65 C66 H66 119.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C17 C22 H22 108.1 . . ?
C17 C22 C24 111.2(5) . . ?
C17 C22 C23 111.7(5) . . ?
C24 C22 H22 108.1 . . ?
C23 C22 H22 108.1 . . ?
C23 C22 C24 109.6(5) . . ?
N4 C40 C41 110.0(4) . . ?
N4 C40 H40A 109.7 . . ?
N4 C40 H40B 109.7 . . ?
C41 C40 H40A 109.7 . . ?
C41 C40 H40B 109.7 . . ?
H40A C40 H40B 108.2 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C81 C85 H85A 109.5 . . ?
C81 C85 H85B 109.5 . . ?
C81 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C60 C62 H62A 109.5 . . ?
C60 C62 H62B 109.5 . . ?
C60 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C64 C65 H65 119.5 . . ?
C66 C65 C64 121.0(5) . . ?
C66 C65 H65 119.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C47 N6 C43 123.6(8) . . ?
C47 N6 C44 111.0(7) . . ?
C44 N6 C43 125.4(8) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N10 C87 H87A 108.3 . . ?
N10 C87 H87B 108.3 . . ?
H87A C87 H87B 107.4 . . ?
C88 C87 N10 116.1(9) . . ?
C88 C87 H87A 108.3 . . ?
C88 C87 H87B 108.3 . . ?
N5 C42 H42A 109.3 . . ?
N5 C42 H42B 109.3 . . ?
N5 C42 H42C 108.5 . . ?
N5 C42 H42D 108.5 . . ?
N5 C42 C43 111.6(7) . . ?
N5 C42 C43A 114.9(14) . . ?
H42A C42 H42B 108.0 . . ?
H42C C42 H42D 107.5 . . ?
C43 C42 H42A 109.3 . . ?
C43 C42 H42B 109.3 . . ?
C43A C42 H42C 108.5 . . ?
C43A C42 H42D 108.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C91 N12 C90 124.3(7) . . ?
C94 N12 C91 108.9(7) . . ?
C94 N12 C90 126.5(7) . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
N11 C88 C87 114.0(9) . . ?
O4 C88 N11 123.9(10) . . ?
O4 C88 C87 122.1(10) . . ?
N6 C43 C42 112.9(6) . . ?
N6 C43 H43A 109.0 . . ?
N6 C43 H43B 109.0 . . ?
C42 C43 H43A 109.0 . . ?
C42 C43 H43B 109.0 . . ?
H43A C43 H43B 107.8 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N6 C47 C46 106.0(7) . . ?
O3 C47 N6 123.3(8) . . ?
O3 C47 C46 130.7(9) . . ?
N11 C89 H89A 108.7 . . ?
N11 C89 H89B 108.7 . . ?
N11 C89 C90 114.4(10) . . ?
H89A C89 H89B 107.6 . . ?
C90 C89 H89A 108.7 . . ?
C90 C89 H89B 108.7 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C91 C92 H92 125.5 . . ?
C93 C92 C91 109.0(9) . . ?
C93 C92 H92 125.5 . . ?
N6 C44 C45 105.2(7) . . ?
O2 C44 N6 124.7(9) . . ?
O2 C44 C45 130.0(9) . . ?
C47 C46 H46 125.5 . . ?
C45 C46 C47 109.1(8) . . ?
C45 C46 H46 125.5 . . ?
N12 C94 C93 106.8(7) . . ?
O6 C94 N12 123.3(9) . . ?
O6 C94 C93 129.9(9) . . ?
C92 C93 C94 108.7(8) . . ?
C92 C93 H93 125.6 . . ?
C94 C93 H93 125.6 . . ?
C44 C45 H45 125.6 . . ?
C46 C45 C44 108.8(8) . . ?
C46 C45 H45 125.6 . . ?
N12 C90 C89 111.8(7) . . ?
N12 C90 H90A 109.3 . . ?
N12 C90 H90B 109.3 . . ?
C89 C90 H90A 109.3 . . ?
C89 C90 H90B 109.3 . . ?
H90A C90 H90B 107.9 . . ?
Cl2 C1A H1AA 110.4 . . ?
Cl2 C1A H1AB 110.4 . . ?
Cl1 C1A Cl2 106.6(7) . . ?
Cl1 C1A H1AA 110.4 . . ?
Cl1 C1A H1AB 110.4 . . ?
H1AA C1A H1AB 108.6 . . ?
H90C C90A H90D 108.3 . . ?
N12A C90A H90C 109.9 . . ?
N12A C90A H90D 109.9 . . ?
N12A C90A C89A 109.1(9) . . ?
C89A C90A H90C 109.9 . . ?
C89A C90A H90D 109.9 . . ?
C91A N12A C90A 123.9(11) . . ?
C91A N12A C94A 109.1(10) . . ?
C94A N12A C90A 127.0(11) . . ?
N12A C91A C92A 108.1(11) . . ?
O5A C91A N12A 125.0(13) . . ?
O5A C91A C92A 126.8(13) . . ?
N12A C94A C93A 105.5(10) . . ?
O6A C94A N12A 126.6(12) . . ?
O6A C94A C93A 127.9(12) . . ?
C94A C93A H93A 125.2 . . ?
C92A C93A C94A 109.6(11) . . ?
C92A C93A H93A 125.2 . . ?
C91A C92A H92A 126.2 . . ?
C93A C92A C91A 107.7(12) . . ?
C93A C92A H92A 126.2 . . ?
F11A P2A F8A 89.1(4) . . ?
F12A P2A F11A 89.1(4) . . ?
F12A P2A F10A 177.9(6) . . ?
F12A P2A F7A 90.8(4) . . ?
F12A P2A F8A 89.7(4) . . ?
F10A P2A F11A 89.1(4) . . ?
F10A P2A F7A 90.2(4) . . ?
F10A P2A F8A 89.3(4) . . ?
F7A P2A F11A 89.7(4) . . ?
F7A P2A F8A 178.7(5) . . ?
F9A P2A F11A 179.3(5) . . ?
F9A P2A F12A 90.8(4) . . ?
F9A P2A F10A 91.1(4) . . ?
F9A P2A F7A 91.1(4) . . ?
F9A P2A F8A 90.1(4) . . ?
O3A C47A C46A 132.0(18) . . ?
O3A C47A N6A 123.5(17) . . ?
N6A C47A C46A 104.5(10) . . ?
C47A C46A H46A 125.5 . . ?
C45A C46A C47A 108.9(11) . . ?
C45A C46A H46A 125.5 . . ?
C46A C45A H45A 125.4 . . ?
C46A C45A C44A 109.2(11) . . ?
C44A C45A H45A 125.4 . . ?
O2A C44A C45A 129.1(18) . . ?
O2A C44A N6A 125.9(16) . . ?
N6A C44A C45A 105.0(10) . . ?
C47A N6A C44A 112.3(11) . . ?
C47A N6A C43A 122.4(13) . . ?
C44A N6A C43A 125.3(13) . . ?
C42 C43A H43C 111.2 . . ?
C42 C43A H43D 111.2 . . ?
N6A C43A C42 102.7(10) . . ?
N6A C43A H43C 111.2 . . ?
N6A C43A H43D 111.2 . . ?
H43C C43A H43D 109.1 . . ?
Cl1A C1B Cl2A 106.6(8) . . ?
Cl1A C1B H1BA 110.4 . . ?
Cl1A C1B H1BB 110.4 . . ?
Cl2A C1B H1BA 110.4 . . ?
Cl2A C1B H1BB 110.4 . . ?
H1BA C1B H1BB 108.6 . . ?
O4A C88A C87A 123.1(13) . . ?
O4A C88A N11A 123.4(14) . . ?
N11A C88A C87A 113.4(13) . . ?
N10 C87A C88A 100.5(12) . . ?
N10 C87A H87C 111.7 . . ?
N10 C87A H87D 111.7 . . ?
C88A C87A H87C 111.7 . . ?
C88A C87A H87D 111.7 . . ?
H87C C87A H87D 109.4 . . ?
C90A C89A H89C 109.0 . . ?
C90A C89A H89D 109.0 . . ?
H89C C89A H89D 107.8 . . ?
N11A C89A C90A 112.9(14) . . ?
N11A C89A H89C 109.0 . . ?
N11A C89A H89D 109.0 . . ?
C88A N11A C89A 125.4(15) . . ?
C88A N11A H11A 117.3 . . ?
C89A N11A H11A 117.3 . . ?

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
N8 C50 C49 N7 0.1(5) . . . . ?
N8 C63 C68 C72 4.4(6) . . . . ?
N8 C63 C68 C67 -178.2(4) . . . . ?
N8 C63 C64 C69 -0.6(6) . . . . ?
N8 C63 C64 C65 178.0(4) . . . . ?
N2 C16 C17 C18 -174.4(4) . . . . ?
N2 C16 C17 C22 5.3(6) . . . . ?
N1 C4 C9 C8 178.8(4) . . . . ?
N1 C4 C9 C13 -2.1(6) . . . . ?
N1 C4 C5 C6 -179.0(4) . . . . ?
N1 C4 C5 C10 3.0(6) . . . . ?
N1 C2 C3 N2 -0.4(5) . . . . ?
N7 C51 C52 C53 -178.2(4) . . . . ?
N7 C51 C52 C57 2.7(6) . . . . ?
N9 C78 C83 C82 175.4(4) . . . . ?
N9 C78 C83 C86 -3.7(6) . . . . ?
N9 C78 C79 C80 -175.7(4) . . . . ?
N9 C78 C79 C84 5.3(6) . . . . ?
N9 C76 C77 N10 -0.5(7) . . . . ?
C48 N8 C50 C49 0.7(5) . . . . ?
C48 N8 C63 C68 80.2(5) . . . . ?
C48 N8 C63 C64 -98.8(5) . . . . ?
C48 N7 C51 C56 -88.0(5) . . . . ?
C48 N7 C51 C52 90.6(5) . . . . ?
C48 N7 C49 C50 -0.8(5) . . . . ?
C1 N2 C3 C2 0.8(5) . . . . ?
C1 N2 C16 C21 80.7(5) . . . . ?
C1 N2 C16 C17 -101.3(5) . . . . ?
C1 N1 C4 C9 -83.2(5) . . . . ?
C1 N1 C4 C5 97.1(5) . . . . ?
C1 N1 C2 C3 -0.1(5) . . . . ?
N3 C29 C30 N4 0.3(7) . . . . ?
O1 C41 C40 N4 2.1(7) . . . . ?
C4 N1 C1 Au1 -2.9(6) . . . . ?
C4 N1 C1 N2 175.6(4) . . . . ?
C4 N1 C2 C3 -175.1(4) . . . . ?
C4 C9 C8 C7 0.6(6) . . . . ?
C4 C9 C13 C15 118.8(5) . . . . ?
C4 C9 C13 C14 -116.0(5) . . . . ?
C4 C5 C10 C11 101.4(5) . . . . ?
C4 C5 C10 C12 -136.1(5) . . . . ?
N10 C87 C88 N11 -179.1(8) . . . . ?
N10 C87 C88 O4 1.1(9) . . . . ?
C2 N1 C1 Au1 -177.9(3) . . . . ?
C2 N1 C1 N2 0.6(5) . . . . ?
C2 N1 C4 C9 91.1(5) . . . . ?
C2 N1 C4 C5 -88.6(5) . . . . ?
C56 C51 C52 C53 0.3(6) . . . . ?
C56 C51 C52 C57 -178.7(4) . . . . ?
C54 C53 C52 C51 0.6(7) . . . . ?
C54 C53 C52 C57 179.6(4) . . . . ?
C7 C6 C5 C4 -0.2(6) . . . . ?
C7 C6 C5 C10 177.9(4) . . . . ?
C55 C56 C51 N7 177.5(4) . . . . ?
C55 C56 C51 C52 -1.1(6) . . . . ?
C55 C56 C60 C62 -68.6(6) . . . . ?
C55 C56 C60 C61 58.0(6) . . . . ?
C55 C54 C53 C52 -0.7(7) . . . . ?
C9 C4 C5 C6 1.4(6) . . . . ?
C9 C4 C5 C10 -176.7(4) . . . . ?
C3 N2 C1 Au1 177.7(3) . . . . ?
C3 N2 C1 N1 -0.9(5) . . . . ?
C3 N2 C16 C21 -94.1(5) . . . . ?
C3 N2 C16 C17 84.0(6) . . . . ?
C50 N8 C48 Au2 179.1(3) . . . . ?
C50 N8 C48 N7 -1.2(5) . . . . ?
C50 N8 C63 C68 -96.7(5) . . . . ?
C50 N8 C63 C64 84.3(5) . . . . ?
C51 N7 C48 Au2 -3.1(6) . . . . ?
C51 N7 C48 N8 177.2(4) . . . . ?
C51 N7 C49 C50 -176.7(4) . . . . ?
C51 C56 C55 C54 1.0(6) . . . . ?
C51 C56 C60 C62 111.0(5) . . . . ?
C51 C56 C60 C61 -122.5(6) . . . . ?
C51 C52 C57 C58 104.2(5) . . . . ?
C51 C52 C57 C59 -132.7(5) . . . . ?
C21 C16 C17 C18 3.6(6) . . . . ?
C21 C16 C17 C22 -176.7(4) . . . . ?
C21 C20 C19 C18 1.7(7) . . . . ?
C53 C54 C55 C56 -0.1(7) . . . . ?
C53 C52 C57 C58 -74.8(6) . . . . ?
C53 C52 C57 C59 48.3(6) . . . . ?
C16 N2 C1 Au1 2.3(6) . . . . ?
C16 N2 C1 N1 -176.3(4) . . . . ?
C16 N2 C3 C2 176.3(4) . . . . ?
C16 C21 C20 C19 0.0(6) . . . . ?
C16 C21 C25 C27 -125.0(6) . . . . ?
C16 C21 C25 C26 110.2(6) . . . . ?
C16 C17 C18 C19 -1.7(7) . . . . ?
C16 C17 C22 C24 130.9(5) . . . . ?
C16 C17 C22 C23 -106.3(5) . . . . ?
C49 N7 C48 Au2 -179.0(3) . . . . ?
C49 N7 C48 N8 1.3(5) . . . . ?
C49 N7 C51 C56 87.3(5) . . . . ?
C49 N7 C51 C52 -94.1(5) . . . . ?
C36 C35 C34 C33 1.9(7) . . . . ?
C36 C35 C34 C38 -180.0(5) . . . . ?
C35 C36 C31 N3 176.6(4) . . . . ?
C35 C36 C31 C32 -1.0(6) . . . . ?
C35 C34 C33 C32 -1.6(7) . . . . ?
C20 C21 C16 N2 175.2(4) . . . . ?
C20 C21 C16 C17 -2.7(6) . . . . ?
C20 C21 C25 C27 55.0(6) . . . . ?
C20 C21 C25 C26 -69.8(7) . . . . ?
C20 C19 C18 C17 -0.8(7) . . . . ?
C28 N3 C31 C36 96.8(6) . . . . ?
C28 N3 C31 C32 -85.6(6) . . . . ?
C28 N3 C29 C30 -0.1(7) . . . . ?
C28 N4 C30 C29 -0.4(7) . . . . ?
C28 N4 C40 C41 -76.4(6) . . . . ?
C63 N8 C48 Au2 1.8(6) . . . . ?
C63 N8 C48 N7 -178.6(4) . . . . ?
C63 N8 C50 C49 178.0(4) . . . . ?
C63 C68 C72 C74 100.5(5) . . . . ?
C63 C68 C72 C73 -134.6(5) . . . . ?
C63 C68 C67 C66 0.4(7) . . . . ?
C63 C64 C69 C70 91.5(5) . . . . ?
C63 C64 C69 C71 -144.1(5) . . . . ?
C63 C64 C65 C66 0.0(7) . . . . ?
C60 C56 C55 C54 -179.5(4) . . . . ?
C60 C56 C51 N7 -2.1(6) . . . . ?
C60 C56 C51 C52 179.4(4) . . . . ?
C31 N3 C28 Au1 10.2(7) . . . . ?
C31 N3 C28 N4 -172.9(4) . . . . ?
C31 N3 C29 C30 172.9(5) . . . . ?
C31 C36 C35 C34 -0.6(6) . . . . ?
C31 C32 C33 C34 0.0(7) . . . . ?
C6 C7 C8 C9 0.5(7) . . . . ?
C6 C5 C10 C11 -76.6(6) . . . . ?
C6 C5 C10 C12 45.9(6) . . . . ?
C25 C21 C16 N2 -4.7(6) . . . . ?
C25 C21 C16 C17 177.3(4) . . . . ?
C25 C21 C20 C19 -180.0(4) . . . . ?
C68 C63 C64 C69 -179.6(4) . . . . ?
C68 C63 C64 C65 -1.0(6) . . . . ?
C68 C67 C66 C65 -1.5(8) . . . . ?
C5 C4 C9 C8 -1.6(6) . . . . ?
C5 C4 C9 C13 177.6(4) . . . . ?
C78 N9 C75 Au2 5.2(7) . . . . ?
C78 N9 C75 N10 -177.2(4) . . . . ?
C78 N9 C76 C77 177.5(5) . . . . ?
C78 C79 C80 C81 -0.8(7) . . . . ?
C64 C63 C68 C72 -176.6(4) . . . . ?
C64 C63 C68 C67 0.8(6) . . . . ?
C83 C78 C79 C80 2.7(6) . . . . ?
C83 C78 C79 C84 -176.3(4) . . . . ?
C83 C82 C81 C80 0.5(7) . . . . ?
C83 C82 C81 C85 179.7(5) . . . . ?
C18 C17 C22 C24 -49.3(6) . . . . ?
C18 C17 C22 C23 73.4(6) . . . . ?
N5 C41 C40 N4 -180.0(4) . . . . ?
N5 C42 C43 N6 -48.1(12) . . . . ?
N5 C42 C43A N6A -64(2) . . . . ?
C75 N9 C78 C83 95.6(5) . . . . ?
C75 N9 C78 C79 -85.9(6) . . . . ?
C75 N9 C76 C77 0.4(7) . . . . ?
C75 N10 C77 C76 0.3(8) . . . . ?
C75 N10 C87 C88 -88.5(9) . . . . ?
C75 N10 C87A C88A -98.6(8) . . . . ?
C8 C7 C6 C5 -0.7(7) . . . . ?
C8 C9 C13 C15 -62.0(6) . . . . ?
C8 C9 C13 C14 63.1(6) . . . . ?
C33 C32 C31 N3 -176.2(4) . . . . ?
C33 C32 C31 C36 1.4(6) . . . . ?
C91 N12 C94 O6 178.6(3) . . . . ?
C91 N12 C94 C93 -3.4(5) . . . . ?
C91 N12 C90 C89 68.4(11) . . . . ?
C91 C92 C93 C94 -0.4(5) . . . . ?
C79 C78 C83 C82 -3.0(6) . . . . ?
C79 C78 C83 C86 177.8(4) . . . . ?
C79 C80 C81 C82 -0.8(7) . . . . ?
C79 C80 C81 C85 -179.9(5) . . . . ?
C76 N9 C78 C83 -81.0(6) . . . . ?
C76 N9 C78 C79 97.5(6) . . . . ?
C76 N9 C75 Au2 -177.8(4) . . . . ?
C76 N9 C75 N10 -0.2(6) . . . . ?
C72 C68 C67 C66 177.9(5) . . . . ?
C67 C68 C72 C74 -76.8(6) . . . . ?
C67 C68 C72 C73 48.1(6) . . . . ?
C67 C66 C65 C64 1.3(8) . . . . ?
N11 C89 C90 N12 58.2(12) . . . . ?
C13 C9 C8 C7 -178.6(4) . . . . ?
C77 N10 C75 Au2 177.5(4) . . . . ?
C77 N10 C75 N9 -0.1(6) . . . . ?
C77 N10 C87 C88 75.7(10) . . . . ?
C77 N10 C87A C88A 89.3(12) . . . . ?
C81 C82 C83 C78 1.3(7) . . . . ?
C81 C82 C83 C86 -179.5(4) . . . . ?
C41 N5 C42 C43 -93.6(8) . . . . ?
C41 N5 C42 C43A -85.8(12) . . . . ?
C29 N3 C28 Au1 -177.1(4) . . . . ?
C29 N3 C28 N4 -0.2(6) . . . . ?
C29 N3 C31 C36 -75.0(6) . . . . ?
C29 N3 C31 C32 102.6(6) . . . . ?
C30 N4 C28 Au1 177.3(4) . . . . ?
C30 N4 C28 N3 0.4(6) . . . . ?
C30 N4 C40 C41 87.1(6) . . . . ?
C69 C64 C65 C66 178.5(5) . . . . ?
C38 C34 C33 C32 -179.7(5) . . . . ?
C84 C79 C80 C81 178.2(4) . . . . ?
C37 C32 C31 N3 5.5(6) . . . . ?
C37 C32 C31 C36 -177.0(4) . . . . ?
C37 C32 C33 C34 178.3(4) . . . . ?
C39 C36 C35 C34 -179.9(4) . . . . ?
C39 C36 C31 N3 -4.1(6) . . . . ?
C39 C36 C31 C32 178.2(4) . . . . ?
O5 C91 N12 C94 -176.3(6) . . . . ?
O5 C91 N12 C90 10.6(11) . . . . ?
O5 C91 C92 C93 177.8(6) . . . . ?
C22 C17 C18 C19 178.6(5) . . . . ?
C40 N4 C28 Au1 -17.1(7) . . . . ?
C40 N4 C28 N3 166.0(5) . . . . ?
C40 N4 C30 C29 -166.0(5) . . . . ?
C65 C64 C69 C70 -87.0(6) . . . . ?
C65 C64 C69 C71 37.4(7) . . . . ?
N6 C47 C46 C45 0.4(6) . . . . ?
N6 C44 C45 C46 0.6(5) . . . . ?
O3 C47 C46 C45 -179.5(6) . . . . ?
O2 C44 C45 C46 -179.4(4) . . . . ?
C87 N10 C75 Au2 -16.8(9) . . . . ?
C87 N10 C75 N9 165.6(7) . . . . ?
C87 N10 C77 C76 -166.3(7) . . . . ?
C42 N5 C41 O1 -5.9(9) . . . . ?
C42 N5 C41 C40 176.2(5) . . . . ?
N12 C91 C92 C93 -1.7(7) . . . . ?
N12 C94 C93 C92 2.3(4) . . . . ?
C88 N11 C89 C90 -97.2(11) . . . . ?
C43 N6 C47 O3 -0.2(7) . . . . ?
C43 N6 C47 C46 179.8(3) . . . . ?
C43 N6 C44 O2 -0.2(3) . . . . ?
C43 N6 C44 C45 179.8(2) . . . . ?
O6 C94 C93 C92 -179.9(3) . . . . ?
C47 N6 C43 C42 -88.9(9) . . . . ?
C47 N6 C44 O2 179.7(4) . . . . ?
C47 N6 C44 C45 -0.3(3) . . . . ?
C47 C46 C45 C44 -0.6(6) . . . . ?
C89 N11 C88 O4 3.5(11) . . . . ?
C89 N11 C88 C87 -176.2(10) . . . . ?
C92 C91 N12 C94 3.2(6) . . . . ?
C92 C91 N12 C90 -169.9(7) . . . . ?
C44 N6 C43 C42 90.9(9) . . . . ?
C44 N6 C47 O3 179.9(5) . . . . ?
C44 N6 C47 C46 -0.1(4) . . . . ?
C94 N12 C90 C89 -103.4(9) . . . . ?
C90 N12 C94 O6 -8.5(8) . . . . ?
C90 N12 C94 C93 169.5(7) . . . . ?
C90A N12A C91A C92A -179.9(3) . . . . ?
C90A N12A C91A O5A -0.2(7) . . . . ?
C90A N12A C94A C93A -179.97(18) . . . . ?
C90A N12A C94A O6A 0.06(19) . . . . ?
C90A C89A N11A C88A -86.8(18) . . . . ?
N12A C90A C89A N11A 67.6(17) . . . . ?
N12A C91A C92A C93A -0.1(6) . . . . ?
N12A C94A C93A C92A -0.1(4) . . . . ?
C91A N12A C94A C93A 0.0(3) . . . . ?
C91A N12A C94A O6A -179.9(3) . . . . ?
C94A N12A C91A C92A 0.1(5) . . . . ?
C94A N12A C91A O5A 179.8(5) . . . . ?
C94A C93A C92A C91A 0.1(5) . . . . ?
O6A C94A C93A C92A 179.9(4) . . . . ?
O5A C91A C92A C93A -179.8(6) . . . . ?
O3A C47A C46A C45A 179.8(7) . . . . ?
O3A C47A N6A C44A -179.8(5) . . . . ?
O3A C47A N6A C43A 0.2(8) . . . . ?
C47A C46A C45A C44A -0.2(7) . . . . ?
C47A N6A C43A C42 -72.2(19) . . . . ?
C46A C47A N6A C44A -0.1(5) . . . . ?
C46A C47A N6A C43A 179.9(3) . . . . ?
C46A C45A C44A O2A -179.8(5) . . . . ?
C46A C45A C44A N6A 0.1(5) . . . . ?
C45A C44A N6A C47A 0.1(4) . . . . ?
C45A C44A N6A C43A -180.0(3) . . . . ?
C44A N6A C43A C42 107.8(18) . . . . ?
O2A C44A N6A C47A 179.9(5) . . . . ?
O2A C44A N6A C43A -0.1(4) . . . . ?
N6A C47A C46A C45A 0.2(7) . . . . ?
O4A C88A C87A N10 18.4(11) . . . . ?
O4A C88A N11A C89A -12.0(17) . . . . ?
C87A N10 C75 Au2 3.8(11) . . . . ?
C87A N10 C75 N9 -173.8(9) . . . . ?
C87A N10 C77 C76 173.0(11) . . . . ?
C87A C88A N11A C89A 168.1(16) . . . . ?
C89A C90A N12A C91A 96.1(11) . . . . ?
C89A C90A N12A C94A -83.9(11) . . . . ?
N11A C88A C87A N10 -161.7(10) . . . . ?

_olex2_date_sample_data_collection 2020-07-14
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.692
_oxdiff_exptl_absorpt_empirical_full_min 0.724
