# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_a1
_database_code_depnum_ccdc_archive 'CCDC 2109185'
loop_
_audit_author_name
_audit_author_address
'ZhiGang Ren'
;Soochow University
China
;
_audit_update_record             
;
2021-09-11 deposited with the CCDC.	2021-10-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C83 H71 Au4 Cl N4 O6 P4 S3, C2 H6 O'
_chemical_formula_sum            'C85 H77 Au4 Cl N4 O7 P4 S3'
_chemical_formula_weight         2309.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 -5.1040 5.8603 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 '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                   11.2814(9)
_cell_length_b                   16.5641(14)
_cell_length_c                   23.6076(19)
_cell_angle_alpha                81.379(3)
_cell_angle_beta                 89.680(4)
_cell_angle_gamma                73.274(3)
_cell_volume                     4173.8(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9983
_cell_measurement_theta_min      3.2972
_cell_measurement_theta_max      56.9484

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.838
_exptl_crystal_F_000             2224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.015
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    10.307
_shelx_estimated_absorpt_T_min   0.861
_shelx_estimated_absorpt_T_max   0.904
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5372
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  BrukerAXS
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            103120
_diffrn_reflns_av_unetI/netI     0.0383
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.735
_diffrn_reflns_theta_max         57.035
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             16979
_reflns_number_gt                14578
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS 2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0384P)²+8.7077P] 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         16979
_refine_ls_number_parameters     974
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0324
_refine_ls_wR_factor_ref         0.0825
_refine_ls_wR_factor_gt          0.0789
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.69152(2) -0.04316(2) 0.97507(2) 0.02272(5) Uani 1 1 d . . . . .
Au2 Au 0.55585(2) 0.40301(2) 0.85077(2) 0.02381(5) Uani 1 1 d . . . . .
Au3 Au 0.67043(2) 0.42866(2) 0.73356(2) 0.02851(6) Uani 1 1 d . . . . .
Au4 Au 0.14179(2) 0.59848(2) 0.71488(2) 0.02857(6) Uani 1 1 d . . . . .
S1 S 0.70771(10) -0.14287(7) 1.05652(5) 0.0252(2) Uani 1 1 d . . . . .
S2 S 0.74964(13) 0.28176(8) 0.75234(6) 0.0403(3) Uani 1 1 d . . . . .
S3 S 0.06427(12) 0.68109(8) 0.78403(5) 0.0332(3) Uani 1 1 d . . . . .
Cl1 Cl 0.37026(10) 0.46059(8) 0.79958(5) 0.0339(3) Uani 1 1 d . . . . .
P1 P 0.69105(10) 0.04478(7) 0.89198(5) 0.0231(2) Uani 1 1 d . . . . .
P2 P 0.73139(10) 0.34528(7) 0.90379(5) 0.0204(2) Uani 1 1 d . . . . .
P3 P 0.60512(11) 0.57204(8) 0.70843(5) 0.0259(2) Uani 1 1 d . . . . .
P4 P 0.21484(11) 0.52961(8) 0.64075(5) 0.0300(3) Uani 1 1 d . . . . .
O1 O 0.8913(3) -0.2075(2) 0.89774(13) 0.0327(7) Uani 1 1 d . . . . .
H1 H 0.934101 -0.176854 0.882439 0.049 Uiso 1 1 calc R U . . .
O2 O 0.9579(3) -0.17683(19) 0.97923(14) 0.0284(7) Uani 1 1 d . . . . .
O3 O 0.8917(5) 0.1883(3) 0.6674(2) 0.0716(13) Uani 1 1 d . . . . .
H3 H 0.868590 0.215753 0.694626 0.107 Uiso 1 1 calc R U . . .
O4 O 0.8148(5) 0.1236(3) 0.6086(2) 0.0724(14) Uani 1 1 d . . . . .
O5 O 0.0637(3) 0.8484(2) 0.84309(13) 0.0300(7) Uani 1 1 d . . . . .
H5 H 0.120108 0.851932 0.864824 0.045 Uiso 1 1 calc R U . . .
O6 O 0.1928(4) 0.8745(3) 0.77638(16) 0.0495(10) Uani 1 1 d . . . . .
N1 N 0.6858(3) 0.1903(2) 0.93560(15) 0.0225(8) Uani 1 1 d . . . . .
N2 N 0.7603(3) 0.1465(2) 1.08995(16) 0.0257(8) Uani 1 1 d . . . . .
N3 N 0.4286(4) 0.5758(3) 0.62993(16) 0.0327(9) Uani 1 1 d . . . . .
N4 N 0.5361(5) 0.6084(3) 0.48341(18) 0.0456(11) Uani 1 1 d . . . . .
C1 C 0.6183(4) 0.1605(3) 0.89466(19) 0.0244(9) Uani 1 1 d . . . . .
H1A H 0.618035 0.193768 0.856110 0.029 Uiso 1 1 calc R U . . .
H1B H 0.531301 0.169851 0.905930 0.029 Uiso 1 1 calc R U . . .
C2 C 0.7821(4) 0.2275(3) 0.91257(19) 0.0236(9) Uani 1 1 d . . . . .
H2A H 0.805373 0.209457 0.874913 0.028 Uiso 1 1 calc R U . . .
H2B H 0.856499 0.205435 0.938691 0.028 Uiso 1 1 calc R U . . .
C3 C 0.6788(4) 0.1660(3) 0.99366(18) 0.0216(9) Uani 1 1 d . . . . .
C4 C 0.5806(4) 0.1356(3) 1.01641(19) 0.0242(9) Uani 1 1 d . . . . .
H4 H 0.517121 0.132043 0.991480 0.029 Uiso 1 1 calc R U . . .
C5 C 0.5769(4) 0.1113(3) 1.0746(2) 0.0281(10) Uani 1 1 d . . . . .
H5A H 0.511026 0.090525 1.089522 0.034 Uiso 1 1 calc R U . . .
C6 C 0.6673(4) 0.1165(3) 1.1113(2) 0.0282(10) Uani 1 1 d . . . . .
H6 H 0.664462 0.099246 1.151439 0.034 Uiso 1 1 calc R U . . .
C7 C 0.7677(4) 0.1697(3) 1.03347(19) 0.0233(9) Uani 1 1 d . . . . .
H7 H 0.835532 0.189411 1.020016 0.028 Uiso 1 1 calc R U . . .
C8 C 0.8465(4) 0.0436(3) 0.87240(19) 0.0227(9) Uani 1 1 d . . . . .
C9 C 0.9354(4) 0.0280(3) 0.91622(19) 0.0261(10) Uani 1 1 d . . . . .
H9 H 0.918075 0.006833 0.954069 0.031 Uiso 1 1 calc R U . . .
C10 C 1.0492(4) 0.0427(3) 0.9057(2) 0.0287(10) Uani 1 1 d . . . . .
H10 H 1.108007 0.033920 0.936367 0.034 Uiso 1 1 calc R U . . .
C11 C 1.0762(4) 0.0704(3) 0.8501(2) 0.0312(10) Uani 1 1 d . . . . .
H11 H 1.153499 0.081158 0.842563 0.037 Uiso 1 1 calc R U . . .
C12 C 0.9902(4) 0.0823(3) 0.8051(2) 0.0327(11) Uani 1 1 d . . . . .
H12 H 1.010143 0.099169 0.766840 0.039 Uiso 1 1 calc R U . . .
C13 C 0.8757(4) 0.0697(3) 0.8162(2) 0.0295(10) Uani 1 1 d . . . . .
H13 H 0.816706 0.078796 0.785631 0.035 Uiso 1 1 calc R U . . .
C14 C 0.6138(4) 0.0192(3) 0.83310(19) 0.0265(10) Uani 1 1 d . . . . .
C15 C 0.4873(5) 0.0554(4) 0.8219(2) 0.0376(12) Uani 1 1 d . . . . .
H15 H 0.442287 0.100125 0.841416 0.045 Uiso 1 1 calc R U . . .
C16 C 0.4265(5) 0.0256(4) 0.7817(2) 0.0478(14) Uani 1 1 d . . . . .
H16 H 0.340042 0.050360 0.774033 0.057 Uiso 1 1 calc R U . . .
C17 C 0.4907(6) -0.0390(4) 0.7533(2) 0.0479(15) Uani 1 1 d . . . . .
H17 H 0.448638 -0.058851 0.726037 0.058 Uiso 1 1 calc R U . . .
C18 C 0.6144(6) -0.0746(4) 0.7642(2) 0.0463(14) Uani 1 1 d . . . . .
H18 H 0.658869 -0.118698 0.744009 0.056 Uiso 1 1 calc R U . . .
C19 C 0.6763(5) -0.0469(3) 0.8046(2) 0.0392(12) Uani 1 1 d . . . . .
H19 H 0.762313 -0.073428 0.812673 0.047 Uiso 1 1 calc R U . . .
C20 C 0.8638(4) 0.3756(3) 0.87477(18) 0.0223(9) Uani 1 1 d . . . . .
C21 C 0.9737(4) 0.3167(3) 0.8640(2) 0.0321(11) Uani 1 1 d . . . . .
H21 H 0.981136 0.257366 0.870488 0.039 Uiso 1 1 calc R U . . .
C22 C 1.0733(5) 0.3454(4) 0.8434(2) 0.0392(12) Uani 1 1 d . . . . .
H22 H 1.148572 0.305198 0.835991 0.047 Uiso 1 1 calc R U . . .
C23 C 1.0639(5) 0.4300(3) 0.8339(2) 0.0378(12) Uani 1 1 d . . . . .
H23 H 1.132370 0.448521 0.819992 0.045 Uiso 1 1 calc R U . . .
C24 C 0.9549(5) 0.4892(3) 0.8443(2) 0.0383(12) Uani 1 1 d . . . . .
H24 H 0.948707 0.548323 0.837923 0.046 Uiso 1 1 calc R U . . .
C25 C 0.8543(5) 0.4621(3) 0.8643(2) 0.0327(11) Uani 1 1 d . . . . .
H25 H 0.778802 0.502847 0.870791 0.039 Uiso 1 1 calc R U . . .
C26 C 0.7208(4) 0.3707(3) 0.97594(18) 0.0230(9) Uani 1 1 d . . . . .
C27 C 0.6061(4) 0.3927(3) 1.0006(2) 0.0321(11) Uani 1 1 d . . . . .
H27 H 0.532855 0.399140 0.978531 0.039 Uiso 1 1 calc R U . . .
C28 C 0.5988(5) 0.4053(3) 1.0571(2) 0.0401(13) Uani 1 1 d . . . . .
H28 H 0.520111 0.420663 1.073724 0.048 Uiso 1 1 calc R U . . .
C29 C 0.7031(5) 0.3959(3) 1.0895(2) 0.0380(12) Uani 1 1 d . . . . .
H29 H 0.696871 0.404123 1.128476 0.046 Uiso 1 1 calc R U . . .
C30 C 0.8185(5) 0.3745(3) 1.0653(2) 0.0342(11) Uani 1 1 d . . . . .
H30 H 0.891176 0.367606 1.087941 0.041 Uiso 1 1 calc R U . . .
C31 C 0.8277(4) 0.3630(3) 1.00834(19) 0.0266(10) Uani 1 1 d . . . . .
H31 H 0.906182 0.349997 0.991433 0.032 Uiso 1 1 calc R U . . .
C32 C 0.4424(4) 0.6115(3) 0.68044(19) 0.0300(10) Uani 1 1 d . . . . .
H32A H 0.387483 0.595440 0.710146 0.036 Uiso 1 1 calc R U . . .
H32B H 0.417620 0.674523 0.671168 0.036 Uiso 1 1 calc R U . . .
C33 C 0.3859(4) 0.5006(3) 0.6356(2) 0.0299(10) Uani 1 1 d . . . . .
H33A H 0.425503 0.460807 0.670388 0.036 Uiso 1 1 calc R U . . .
H33B H 0.410421 0.471082 0.602008 0.036 Uiso 1 1 calc R U . . .
C34 C 0.4425(5) 0.6188(3) 0.5747(2) 0.0342(11) Uani 1 1 d . . . . .
C35 C 0.3854(5) 0.7043(4) 0.5581(2) 0.0403(12) Uani 1 1 d . . . . .
H35 H 0.335513 0.737314 0.583757 0.048 Uiso 1 1 calc R U . . .
C36 C 0.4022(5) 0.7418(4) 0.5027(2) 0.0490(14) Uani 1 1 d . . . . .
H36 H 0.362870 0.800561 0.489767 0.059 Uiso 1 1 calc R U . . .
C37 C 0.4773(6) 0.6915(4) 0.4673(2) 0.0507(15) Uani 1 1 d . . . . .
H37 H 0.487827 0.717037 0.429584 0.061 Uiso 1 1 calc R U . . .
C38 C 0.5180(5) 0.5746(4) 0.5365(2) 0.0383(12) Uani 1 1 d . . . . .
H38 H 0.560072 0.516082 0.548893 0.046 Uiso 1 1 calc R U . . .
C39 C 0.6118(4) 0.6359(3) 0.76335(19) 0.0265(10) Uani 1 1 d . . . . .
C40 C 0.7205(4) 0.6553(3) 0.7743(2) 0.0318(11) Uani 1 1 d . . . . .
H40 H 0.790544 0.636304 0.752028 0.038 Uiso 1 1 calc R U . . .
C41 C 0.7274(5) 0.7020(3) 0.8172(2) 0.0350(11) Uani 1 1 d . . . . .
H41 H 0.802095 0.715000 0.824546 0.042 Uiso 1 1 calc R U . . .
C42 C 0.6256(5) 0.7298(3) 0.8494(2) 0.0382(12) Uani 1 1 d . . . . .
H42 H 0.630390 0.761882 0.879036 0.046 Uiso 1 1 calc R U . . .
C43 C 0.5167(5) 0.7112(3) 0.8391(2) 0.0412(13) Uani 1 1 d . . . . .
H43 H 0.446615 0.731238 0.861120 0.049 Uiso 1 1 calc R U . . .
C44 C 0.5097(5) 0.6634(3) 0.7963(2) 0.0373(12) Uani 1 1 d . . . . .
H44 H 0.435468 0.649422 0.789657 0.045 Uiso 1 1 calc R U . . .
C45 C 0.6930(4) 0.6060(3) 0.6502(2) 0.0326(11) Uani 1 1 d . . . . .
C46 C 0.6601(5) 0.6914(4) 0.6237(2) 0.0426(13) Uani 1 1 d . . . . .
H46 H 0.595919 0.733269 0.638167 0.051 Uiso 1 1 calc R U . . .
C47 C 0.7233(6) 0.7139(4) 0.5754(2) 0.0533(17) Uani 1 1 d . . . . .
H47 H 0.701521 0.771299 0.556631 0.064 Uiso 1 1 calc R U . . .
C48 C 0.8180(6) 0.6521(5) 0.5552(2) 0.0581(19) Uani 1 1 d . . . . .
H48 H 0.859561 0.667749 0.522087 0.070 Uiso 1 1 calc R U . . .
C49 C 0.8527(5) 0.5690(5) 0.5821(2) 0.0554(17) Uani 1 1 d . . . . .
H49 H 0.919142 0.527672 0.568419 0.066 Uiso 1 1 calc R U . . .
C50 C 0.7895(5) 0.5459(4) 0.6294(2) 0.0416(13) Uani 1 1 d . . . . .
H50 H 0.812446 0.488275 0.647895 0.050 Uiso 1 1 calc R U . . .
C51 C 0.1765(4) 0.4305(3) 0.6410(2) 0.0313(10) Uani 1 1 d . . . . .
C52 C 0.0955(5) 0.4102(3) 0.6822(2) 0.0373(12) Uani 1 1 d . . . . .
H52 H 0.061177 0.448290 0.708356 0.045 Uiso 1 1 calc R U . . .
C53 C 0.0655(5) 0.3336(4) 0.6847(2) 0.0464(14) Uani 1 1 d . . . . .
H53 H 0.011069 0.319670 0.712867 0.056 Uiso 1 1 calc R U . . .
C54 C 0.1142(6) 0.2781(4) 0.6468(2) 0.0481(14) Uani 1 1 d . . . . .
H54 H 0.093525 0.226084 0.648634 0.058 Uiso 1 1 calc R U . . .
C55 C 0.1940(6) 0.2988(4) 0.6057(2) 0.0481(14) Uani 1 1 d . . . . .
H55 H 0.227376 0.260927 0.579319 0.058 Uiso 1 1 calc R U . . .
C56 C 0.2248(5) 0.3739(4) 0.6029(2) 0.0427(13) Uani 1 1 d . . . . .
H56 H 0.279683 0.387214 0.574806 0.051 Uiso 1 1 calc R U . . .
C57 C 0.1605(4) 0.6010(4) 0.5732(2) 0.0363(12) Uani 1 1 d . . . . .
C58 C 0.1885(5) 0.5754(4) 0.5200(2) 0.0466(14) Uani 1 1 d . . . . .
H58 H 0.231986 0.517762 0.517397 0.056 Uiso 1 1 calc R U . . .
C59 C 0.1518(6) 0.6357(5) 0.4704(2) 0.0563(17) Uani 1 1 d . . . . .
H59 H 0.168816 0.618133 0.434010 0.068 Uiso 1 1 calc R U . . .
C60 C 0.0915(6) 0.7201(4) 0.4733(3) 0.0551(17) Uani 1 1 d . . . . .
H60 H 0.068931 0.760686 0.439265 0.066 Uiso 1 1 calc R U . . .
C61 C 0.0649(5) 0.7442(4) 0.5257(3) 0.0522(15) Uani 1 1 d . . . . .
H61 H 0.023421 0.802236 0.528056 0.063 Uiso 1 1 calc R U . . .
C62 C 0.0969(5) 0.6859(4) 0.5756(2) 0.0430(13) Uani 1 1 d . . . . .
H62 H 0.075446 0.703900 0.611591 0.052 Uiso 1 1 calc R U . . .
C63 C 0.7447(4) -0.2422(3) 1.0306(2) 0.0260(9) Uani 1 1 d . . . . .
C64 C 0.8209(4) -0.2643(3) 0.9842(2) 0.0262(10) Uani 1 1 d . . . . .
C65 C 0.8385(5) -0.3436(3) 0.9675(2) 0.0331(11) Uani 1 1 d . . . . .
H65 H 0.886303 -0.356932 0.935057 0.040 Uiso 1 1 calc R U . . .
C66 C 0.7877(5) -0.4040(3) 0.9972(2) 0.0365(12) Uani 1 1 d . . . . .
H66 H 0.801966 -0.458519 0.985877 0.044 Uiso 1 1 calc R U . . .
C67 C 0.7165(4) -0.3834(3) 1.0433(2) 0.0340(11) Uani 1 1 d . . . . .
H67 H 0.682636 -0.424511 1.064360 0.041 Uiso 1 1 calc R U . . .
C68 C 0.6937(4) -0.3042(3) 1.0593(2) 0.0301(10) Uani 1 1 d . . . . .
H68 H 0.642069 -0.290888 1.090509 0.036 Uiso 1 1 calc R U . . .
C69 C 0.8953(4) -0.2099(3) 0.9542(2) 0.0267(10) Uani 1 1 d . . . . .
C70 C 0.6419(6) 0.2434(4) 0.7167(2) 0.0479(14) Uani 1 1 d . . . . .
C71 C 0.6769(6) 0.1869(4) 0.6767(2) 0.0483(14) Uani 1 1 d . . . . .
C72 C 0.5890(7) 0.1512(4) 0.6571(3) 0.0561(16) Uani 1 1 d . . . . .
H72 H 0.612783 0.111741 0.630878 0.067 Uiso 1 1 calc R U . . .
C73 C 0.4692(7) 0.1722(4) 0.6751(3) 0.0604(18) Uani 1 1 d . . . . .
H73 H 0.411566 0.146463 0.661951 0.072 Uiso 1 1 calc R U . . .
C74 C 0.4329(7) 0.2320(4) 0.7129(3) 0.0596(17) Uani 1 1 d . . . . .
H74 H 0.349293 0.249105 0.723860 0.072 Uiso 1 1 calc R U . . .
C75 C 0.5189(6) 0.2657(4) 0.7340(3) 0.0559(16) Uani 1 1 d . . . . .
H75 H 0.494505 0.304505 0.760617 0.067 Uiso 1 1 calc R U . . .
C76 C 0.7986(7) 0.1635(4) 0.6489(3) 0.0545(16) Uani 1 1 d . . . . .
C77 C -0.0150(4) 0.7770(3) 0.7385(2) 0.0316(10) Uani 1 1 d . . . . .
C78 C 0.0068(4) 0.8539(3) 0.7454(2) 0.0304(10) Uani 1 1 d . . . . .
C79 C -0.0519(5) 0.9282(3) 0.7077(2) 0.0407(12) Uani 1 1 d . . . . .
H79 H -0.037424 0.980351 0.712883 0.049 Uiso 1 1 calc R U . . .
C80 C -0.1307(6) 0.9278(4) 0.6630(2) 0.0492(14) Uani 1 1 d . . . . .
H80 H -0.168588 0.978642 0.637367 0.059 Uiso 1 1 calc R U . . .
C81 C -0.1532(5) 0.8511(3) 0.6565(2) 0.0447(13) Uani 1 1 d . . . . .
H81 H -0.207724 0.849600 0.626397 0.054 Uiso 1 1 calc R U . . .
C82 C -0.0965(5) 0.7776(3) 0.6935(2) 0.0379(12) Uani 1 1 d . . . . .
H82 H -0.112943 0.725891 0.688465 0.046 Uiso 1 1 calc R U . . .
C83 C 0.0957(4) 0.8586(3) 0.7905(2) 0.0312(10) Uani 1 1 d . . . . .
C84 C 0.2360(10) 0.9043(6) 0.6312(4) 0.104(3) Uani 1 1 d . . . . .
H84A H 0.155974 0.890791 0.631503 0.125 Uiso 1 1 calc R U . . .
H84B H 0.269751 0.898528 0.592705 0.125 Uiso 1 1 calc R U . . .
C85 C 0.2118(14) 0.9956(7) 0.6400(6) 0.154(5) Uani 1 1 d . . . . .
H85A H 0.179166 1.002180 0.678154 0.230 Uiso 1 1 calc R U . . .
H85B H 0.151212 1.032781 0.610739 0.230 Uiso 1 1 calc R U . . .
H85C H 0.289279 1.011207 0.636960 0.230 Uiso 1 1 calc R U . . .
O7 O 0.3194(6) 0.8426(4) 0.6726(2) 0.0953(18) Uani 1 1 d . . . . .
H7A H 0.302237 0.838422 0.707832 0.114 Uiso 1 1 d R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.2602(11) . ?
Au1 S1 2.3102(11) . ?
Au2 P2 2.2320(11) . ?
Au2 Cl1 2.2994(11) . ?
Au2 Au3 3.0710(4) . ?
Au3 P3 2.2607(12) . ?
Au3 S2 2.3119(13) . ?
Au4 P4 2.2547(13) . ?
Au4 S3 2.2952(12) . ?
S1 C63 1.778(5) . ?
S2 C70 1.790(6) . ?
S3 C77 1.778(5) . ?
P1 C8 1.806(4) . ?
P1 C14 1.810(5) . ?
P1 C1 1.866(4) . ?
P2 C20 1.809(4) . ?
P2 C26 1.810(4) . ?
P2 C2 1.848(4) . ?
P3 C45 1.807(5) . ?
P3 C39 1.807(5) . ?
P3 C32 1.851(5) . ?
P4 C51 1.814(5) . ?
P4 C57 1.830(5) . ?
P4 C33 1.857(5) . ?
O1 C69 1.328(5) . ?
O1 H1 0.8400 . ?
O2 C69 1.214(5) . ?
O3 C76 1.329(8) . ?
O3 H3 0.8400 . ?
O4 C76 1.221(7) . ?
O5 C83 1.291(6) . ?
O5 H5 0.8400 . ?
O6 C83 1.231(6) . ?
N1 C3 1.378(5) . ?
N1 C1 1.458(5) . ?
N1 C2 1.461(5) . ?
N2 C7 1.340(6) . ?
N2 C6 1.349(6) . ?
N3 C34 1.420(6) . ?
N3 C32 1.436(6) . ?
N3 C33 1.449(6) . ?
N4 C38 1.333(6) . ?
N4 C37 1.342(8) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C7 1.399(6) . ?
C3 C4 1.414(6) . ?
C4 C5 1.377(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.372(6) . ?
C5 H5A 0.9500 . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.388(6) . ?
C8 C13 1.400(6) . ?
C9 C10 1.389(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.395(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.384(7) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.386(7) . ?
C14 C15 1.390(7) . ?
C15 C16 1.398(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.373(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.359(8) . ?
C17 H17 0.9500 . ?
C18 C19 1.390(7) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.389(6) . ?
C20 C21 1.389(6) . ?
C21 C22 1.399(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.359(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.382(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.392(7) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.388(6) . ?
C26 C31 1.396(6) . ?
C27 C28 1.380(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.365(8) . ?
C28 H28 0.9500 . ?
C29 C30 1.390(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.386(6) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.373(8) . ?
C34 C38 1.380(7) . ?
C35 C36 1.396(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.380(9) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.389(6) . ?
C39 C44 1.391(6) . ?
C40 C41 1.379(7) . ?
C40 H40 0.9500 . ?
C41 C42 1.379(7) . ?
C41 H41 0.9500 . ?
C42 C43 1.381(7) . ?
C42 H42 0.9500 . ?
C43 C44 1.389(7) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C50 1.390(7) . ?
C45 C46 1.401(7) . ?
C46 C47 1.400(7) . ?
C46 H46 0.9500 . ?
C47 C48 1.388(10) . ?
C47 H47 0.9500 . ?
C48 C49 1.373(10) . ?
C48 H48 0.9500 . ?
C49 C50 1.386(7) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C56 1.390(7) . ?
C51 C52 1.402(7) . ?
C52 C53 1.396(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.380(8) . ?
C53 H53 0.9500 . ?
C54 C55 1.391(8) . ?
C54 H54 0.9500 . ?
C55 C56 1.377(8) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C58 1.392(7) . ?
C57 C62 1.392(8) . ?
C58 C59 1.398(8) . ?
C58 H58 0.9500 . ?
C59 C60 1.379(9) . ?
C59 H59 0.9500 . ?
C60 C61 1.363(9) . ?
C60 H60 0.9500 . ?
C61 C62 1.382(8) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C68 1.402(6) . ?
C63 C64 1.416(6) . ?
C64 C65 1.387(6) . ?
C64 C69 1.501(6) . ?
C65 C66 1.393(7) . ?
C65 H65 0.9500 . ?
C66 C67 1.374(7) . ?
C66 H66 0.9500 . ?
C67 C68 1.373(7) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C70 C71 1.404(8) . ?
C70 C75 1.404(9) . ?
C71 C72 1.404(8) . ?
C71 C76 1.492(9) . ?
C72 C73 1.376(10) . ?
C72 H72 0.9500 . ?
C73 C74 1.404(9) . ?
C73 H73 0.9500 . ?
C74 C75 1.379(9) . ?
C74 H74 0.9500 . ?
C75 H75 0.9500 . ?
C77 C78 1.399(7) . ?
C77 C82 1.406(7) . ?
C78 C79 1.396(7) . ?
C78 C83 1.493(7) . ?
C79 C80 1.385(8) . ?
C79 H79 0.9500 . ?
C80 C81 1.395(8) . ?
C80 H80 0.9500 . ?
C81 C82 1.376(7) . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C84 O7 1.430(10) . ?
C84 C85 1.504(14) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
O7 H7A 0.8499 . ?

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
P1 Au1 S1 174.35(4) . . ?
P2 Au2 Cl1 177.44(4) . . ?
P2 Au2 Au3 98.12(3) . . ?
Cl1 Au2 Au3 84.37(3) . . ?
P3 Au3 S2 174.68(5) . . ?
P3 Au3 Au2 102.28(3) . . ?
S2 Au3 Au2 82.92(4) . . ?
P4 Au4 S3 174.25(4) . . ?
C63 S1 Au1 104.32(15) . . ?
C70 S2 Au3 104.43(19) . . ?
C77 S3 Au4 98.64(16) . . ?
C8 P1 C14 109.0(2) . . ?
C8 P1 C1 101.37(19) . . ?
C14 P1 C1 106.6(2) . . ?
C8 P1 Au1 111.39(15) . . ?
C14 P1 Au1 112.73(15) . . ?
C1 P1 Au1 115.03(15) . . ?
C20 P2 C26 105.4(2) . . ?
C20 P2 C2 104.01(19) . . ?
C26 P2 C2 105.3(2) . . ?
C20 P2 Au2 114.76(14) . . ?
C26 P2 Au2 113.60(15) . . ?
C2 P2 Au2 112.81(14) . . ?
C45 P3 C39 106.0(2) . . ?
C45 P3 C32 104.5(2) . . ?
C39 P3 C32 104.5(2) . . ?
C45 P3 Au3 110.68(18) . . ?
C39 P3 Au3 117.35(15) . . ?
C32 P3 Au3 112.76(16) . . ?
C51 P4 C57 110.2(2) . . ?
C51 P4 C33 104.9(2) . . ?
C57 P4 C33 102.6(2) . . ?
C51 P4 Au4 114.47(16) . . ?
C57 P4 Au4 109.52(18) . . ?
C33 P4 Au4 114.43(16) . . ?
C69 O1 H1 109.5 . . ?
C76 O3 H3 109.5 . . ?
C83 O5 H5 109.5 . . ?
C3 N1 C1 120.3(3) . . ?
C3 N1 C2 121.5(3) . . ?
C1 N1 C2 116.4(3) . . ?
C7 N2 C6 121.5(4) . . ?
C34 N3 C32 120.7(4) . . ?
C34 N3 C33 120.1(4) . . ?
C32 N3 C33 118.8(4) . . ?
C38 N4 C37 116.5(5) . . ?
N1 C1 P1 110.7(3) . . ?
N1 C1 H1A 109.5 . . ?
P1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
P1 C1 H1B 109.5 . . ?
H1A C1 H1B 108.1 . . ?
N1 C2 P2 112.3(3) . . ?
N1 C2 H2A 109.1 . . ?
P2 C2 H2A 109.1 . . ?
N1 C2 H2B 109.1 . . ?
P2 C2 H2B 109.1 . . ?
H2A C2 H2B 107.9 . . ?
N1 C3 C7 122.2(4) . . ?
N1 C3 C4 121.6(4) . . ?
C7 C3 C4 116.1(4) . . ?
C5 C4 C3 120.1(4) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C6 C5 C4 120.8(4) . . ?
C6 C5 H5A 119.6 . . ?
C4 C5 H5A 119.6 . . ?
N2 C6 C5 119.3(4) . . ?
N2 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
N2 C7 C3 122.2(4) . . ?
N2 C7 H7 118.9 . . ?
C3 C7 H7 118.9 . . ?
C9 C8 C13 118.9(4) . . ?
C9 C8 P1 117.9(3) . . ?
C13 C8 P1 122.5(3) . . ?
C8 C9 C10 121.2(4) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
C11 C10 C9 119.3(4) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 120.2(4) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C13 C12 C11 120.0(5) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C8 120.3(4) . . ?
C12 C13 H13 119.9 . . ?
C8 C13 H13 119.9 . . ?
C19 C14 C15 118.8(4) . . ?
C19 C14 P1 119.7(4) . . ?
C15 C14 P1 120.8(4) . . ?
C14 C15 C16 119.6(5) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C17 C16 C15 120.6(5) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C18 C17 C16 119.9(5) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C19 120.5(5) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C14 C19 C18 120.6(5) . . ?
C14 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C25 C20 C21 119.5(4) . . ?
C25 C20 P2 117.5(3) . . ?
C21 C20 P2 123.0(3) . . ?
C20 C21 C22 119.4(5) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C23 C22 C21 120.9(5) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 120.2(5) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C25 119.9(5) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C20 C25 C24 120.2(5) . . ?
C20 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C27 C26 C31 119.6(4) . . ?
C27 C26 P2 119.7(4) . . ?
C31 C26 P2 120.5(3) . . ?
C28 C27 C26 119.9(5) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C29 C28 C27 120.9(5) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C28 C29 C30 120.0(5) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C31 C30 C29 120.0(5) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C26 119.6(4) . . ?
C30 C31 H31 120.2 . . ?
C26 C31 H31 120.2 . . ?
N3 C32 P3 110.4(3) . . ?
N3 C32 H32A 109.6 . . ?
P3 C32 H32A 109.6 . . ?
N3 C32 H32B 109.6 . . ?
P3 C32 H32B 109.6 . . ?
H32A C32 H32B 108.1 . . ?
N3 C33 P4 110.8(3) . . ?
N3 C33 H33A 109.5 . . ?
P4 C33 H33A 109.5 . . ?
N3 C33 H33B 109.5 . . ?
P4 C33 H33B 109.5 . . ?
H33A C33 H33B 108.1 . . ?
C35 C34 C38 118.2(5) . . ?
C35 C34 N3 122.1(5) . . ?
C38 C34 N3 119.7(5) . . ?
C34 C35 C36 118.8(5) . . ?
C34 C35 H35 120.6 . . ?
C36 C35 H35 120.6 . . ?
C37 C36 C35 118.5(6) . . ?
C37 C36 H36 120.8 . . ?
C35 C36 H36 120.8 . . ?
N4 C37 C36 123.5(5) . . ?
N4 C37 H37 118.3 . . ?
C36 C37 H37 118.3 . . ?
N4 C38 C34 124.6(5) . . ?
N4 C38 H38 117.7 . . ?
C34 C38 H38 117.7 . . ?
C40 C39 C44 119.5(4) . . ?
C40 C39 P3 120.1(4) . . ?
C44 C39 P3 120.3(4) . . ?
C41 C40 C39 120.5(5) . . ?
C41 C40 H40 119.7 . . ?
C39 C40 H40 119.7 . . ?
C42 C41 C40 119.7(5) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C41 C42 C43 120.5(5) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 H42 119.7 . . ?
C42 C43 C44 120.0(5) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 C39 119.7(5) . . ?
C43 C44 H44 120.1 . . ?
C39 C44 H44 120.1 . . ?
C50 C45 C46 119.8(5) . . ?
C50 C45 P3 119.5(4) . . ?
C46 C45 P3 120.5(4) . . ?
C47 C46 C45 118.9(6) . . ?
C47 C46 H46 120.5 . . ?
C45 C46 H46 120.5 . . ?
C48 C47 C46 119.9(6) . . ?
C48 C47 H47 120.1 . . ?
C46 C47 H47 120.1 . . ?
C49 C48 C47 121.2(5) . . ?
C49 C48 H48 119.4 . . ?
C47 C48 H48 119.4 . . ?
C48 C49 C50 119.2(6) . . ?
C48 C49 H49 120.4 . . ?
C50 C49 H49 120.4 . . ?
C49 C50 C45 120.9(6) . . ?
C49 C50 H50 119.6 . . ?
C45 C50 H50 119.6 . . ?
C56 C51 C52 119.1(5) . . ?
C56 C51 P4 123.1(4) . . ?
C52 C51 P4 117.7(4) . . ?
C53 C52 C51 119.7(5) . . ?
C53 C52 H52 120.2 . . ?
C51 C52 H52 120.2 . . ?
C54 C53 C52 120.6(5) . . ?
C54 C53 H53 119.7 . . ?
C52 C53 H53 119.7 . . ?
C53 C54 C55 119.4(5) . . ?
C53 C54 H54 120.3 . . ?
C55 C54 H54 120.3 . . ?
C56 C55 C54 120.5(5) . . ?
C56 C55 H55 119.7 . . ?
C54 C55 H55 119.7 . . ?
C55 C56 C51 120.6(5) . . ?
C55 C56 H56 119.7 . . ?
C51 C56 H56 119.7 . . ?
C58 C57 C62 119.1(5) . . ?
C58 C57 P4 122.5(4) . . ?
C62 C57 P4 118.2(4) . . ?
C57 C58 C59 118.9(6) . . ?
C57 C58 H58 120.5 . . ?
C59 C58 H58 120.5 . . ?
C60 C59 C58 121.5(6) . . ?
C60 C59 H59 119.2 . . ?
C58 C59 H59 119.2 . . ?
C61 C60 C59 118.7(6) . . ?
C61 C60 H60 120.6 . . ?
C59 C60 H60 120.6 . . ?
C60 C61 C62 121.3(6) . . ?
C60 C61 H61 119.3 . . ?
C62 C61 H61 119.3 . . ?
C61 C62 C57 120.3(6) . . ?
C61 C62 H62 119.9 . . ?
C57 C62 H62 119.9 . . ?
C68 C63 C64 117.5(4) . . ?
C68 C63 S1 116.6(4) . . ?
C64 C63 S1 126.0(3) . . ?
C65 C64 C63 119.6(4) . . ?
C65 C64 C69 116.2(4) . . ?
C63 C64 C69 123.9(4) . . ?
C64 C65 C66 121.4(5) . . ?
C64 C65 H65 119.3 . . ?
C66 C65 H65 119.3 . . ?
C67 C66 C65 118.9(5) . . ?
C67 C66 H66 120.5 . . ?
C65 C66 H66 120.5 . . ?
C68 C67 C66 120.8(4) . . ?
C68 C67 H67 119.6 . . ?
C66 C67 H67 119.6 . . ?
C67 C68 C63 121.7(4) . . ?
C67 C68 H68 119.1 . . ?
C63 C68 H68 119.1 . . ?
O2 C69 O1 124.3(4) . . ?
O2 C69 C64 123.5(4) . . ?
O1 C69 C64 112.1(4) . . ?
C71 C70 C75 119.2(6) . . ?
C71 C70 S2 123.2(5) . . ?
C75 C70 S2 117.3(5) . . ?
C72 C71 C70 118.8(6) . . ?
C72 C71 C76 114.4(6) . . ?
C70 C71 C76 126.6(6) . . ?
C73 C72 C71 121.5(6) . . ?
C73 C72 H72 119.3 . . ?
C71 C72 H72 119.3 . . ?
C72 C73 C74 119.5(6) . . ?
C72 C73 H73 120.2 . . ?
C74 C73 H73 120.2 . . ?
C75 C74 C73 119.8(7) . . ?
C75 C74 H74 120.1 . . ?
C73 C74 H74 120.1 . . ?
C74 C75 C70 121.0(6) . . ?
C74 C75 H75 119.5 . . ?
C70 C75 H75 119.5 . . ?
O4 C76 O3 118.7(7) . . ?
O4 C76 C71 121.8(6) . . ?
O3 C76 C71 119.5(5) . . ?
C78 C77 C82 118.2(4) . . ?
C78 C77 S3 120.0(4) . . ?
C82 C77 S3 121.7(4) . . ?
C79 C78 C77 119.5(4) . . ?
C79 C78 C83 118.7(4) . . ?
C77 C78 C83 121.8(4) . . ?
C80 C79 C78 121.8(5) . . ?
C80 C79 H79 119.1 . . ?
C78 C79 H79 119.1 . . ?
C79 C80 C81 118.6(5) . . ?
C79 C80 H80 120.7 . . ?
C81 C80 H80 120.7 . . ?
C82 C81 C80 120.2(5) . . ?
C82 C81 H81 119.9 . . ?
C80 C81 H81 119.9 . . ?
C81 C82 C77 121.7(5) . . ?
C81 C82 H82 119.2 . . ?
C77 C82 H82 119.2 . . ?
O6 C83 O5 123.1(4) . . ?
O6 C83 C78 119.6(4) . . ?
O5 C83 C78 117.2(4) . . ?
O7 C84 C85 115.3(9) . . ?
O7 C84 H84A 108.5 . . ?
C85 C84 H84A 108.5 . . ?
O7 C84 H84B 108.5 . . ?
C85 C84 H84B 108.5 . . ?
H84A C84 H84B 107.5 . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C84 O7 H7A 119.9 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O7 H7A O6 0.85 2.08 2.870(7) 153.5 .

_refine_diff_density_max         1.153
_refine_diff_density_min         -2.031
_refine_diff_density_rms         0.150



