# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_apow11


_vrf_PLAT201_I                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 22
RESPONSE: All triethyl phosphine ligands are disordered and refined
with isotropic displcaement parameters.
;
_vrf_PLAT211_I                   
;
PROBLEM: ADP of Atom C1D is N.P.D. or (nearly) 2D ... ? Check
RESPONSE: Some disordered atoms refined to small displacement parameters
;
_vrf_PLAT213_I                   
;
PROBLEM: Atom C71A has ADP max/min Ratio ..... 6.0 prola
RESPONSE: Again, this is because of the huge disorder in the solvent 
area which is also very large and significantly disordered.
;
_vrf_PLAT216_I                   
;
PROBLEM: Disordered C91 (An/Solv) ADP max/min Ratio 13.6
RESPONSE: Again, this is because of the huge disorder in the solvent 
area which is also very large and significantly disordered.
;
_vrf_PLAT222_I                   
;
PROBLEM: Large Non-Solvent H Uiso(max)/Uiso(min) .. 10.0 Ratio
RESPONSE: Again, this is because of the huge disorder in the solvent 
area which is also very large and significantly disordered.
;
_vrf_PLAT411_I                   
;
PROBLEM: Short Inter H...H Contact H16D .. H90H .. 1.65 Ang.
RESPONSE: Those are because of the same disorder mentioned above.
;
_vrf_PLAT413_I                   
;
PROBLEM: Short Inter XH3 .. XHn H43C .. H93I .. 1.45 Ang.
RESPONSE: Those are because of the same disorder mentioned above.
;

_vrf_PLAT721_I                   
;
PROBLEM: Bond Calc 28.91000, Rep 0.99000 Dev... 27.92 Ang.

RESPONSE: Those are because of the same disorder mentioned above.
;
_vrf_PLAT722_I                   
;
PROBLEM: Angle Calc 53.00, Rep 110.00 Dev... 57.00 Deg.
RESPONSE: Those are because of the same disorder mentioned above.
;

_vrf_PLAT241_I                   
;
PROBLEM: Check High Ueq as Compared to Neighbors for C42C
RESPONSE: Those are because of the same disorder mentioned above.
;
_audit_update_record             
;
2013-03-19 # Formatted by publCIF
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C370.75 H311.50 Au8 Cl9.50 N32 O16 P16 Pt4'
_chemical_formula_weight         8659.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   27.823(3)
_cell_length_b                   28.101(3)
_cell_length_c                   28.510(3)
_cell_angle_alpha                60.6370(10)
_cell_angle_beta                 61.9650(10)
_cell_angle_gamma                84.409(2)
_cell_volume                     16889(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9764
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      24.25

_exptl_crystal_description       irregular
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8467
_exptl_absorpt_coefficient_mu    5.327
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.6814
_exptl_absorpt_correction_T_max  0.8828
_exptl_absorpt_process_details   ?

_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            236008
_diffrn_reflns_av_R_equivalents  0.1147
_diffrn_reflns_av_sigmaI/netI    0.1958
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         0.84
_diffrn_reflns_theta_max         27.50
_reflns_number_total             77525
_reflns_number_gt                36301
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Olex2 v1.2.2'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0333P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         77525
_refine_ls_number_parameters     3958
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.1459
_refine_ls_R_factor_gt           0.0515
_refine_ls_wR_factor_ref         0.1142
_refine_ls_wR_factor_gt          0.0955
_refine_ls_goodness_of_fit_ref   0.877
_refine_ls_restrained_S_all      0.879
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1A Pt 0.334056(15) 0.561644(16) 0.379853(16) 0.01814(9) Uani 1 1 d . . .
Au1A Au 0.481689(16) 0.631324(16) 0.281610(16) 0.01907(9) Uani 1 1 d . . .
Au2A Au 0.263779(16) 0.574837(16) 0.288990(17) 0.02350(10) Uani 1 1 d . . .
P1A P 0.52242(11) 0.69869(11) 0.28098(11) 0.0222(6) Uani 1 1 d . . .
P2A P 0.21373(11) 0.51030(11) 0.29510(12) 0.0278(7) Uani 1 1 d . . .
P3A P 0.35030(10) 0.48307(11) 0.44649(11) 0.0201(6) Uani 1 1 d . . .
P4A P 0.26319(11) 0.57888(11) 0.45062(11) 0.0221(6) Uani 1 1 d . . .
O1A O 0.6948(3) 0.5337(4) 0.0351(4) 0.056(2) Uani 1 1 d . . .
O2A O 0.7231(3) 0.6054(4) 0.0311(4) 0.058(3) Uani 1 1 d . . .
O3A O 0.2366(4) 0.8859(3) 0.0583(4) 0.060(3) Uani 1 1 d . . .
O4A O 0.1982(3) 0.8133(3) 0.0721(3) 0.046(2) Uani 1 1 d . . .
N1A N 0.3955(3) 0.5509(3) 0.3115(3) 0.0143(17) Uani 1 1 d . . .
N2A N 0.3823(3) 0.5149(3) 0.2986(3) 0.026(2) Uani 1 1 d . . .
N3A N 0.4281(3) 0.5147(3) 0.2537(3) 0.026(2) Uani 1 1 d . . .
N4A N 0.6860(4) 0.5698(4) 0.0518(4) 0.042(3) Uani 1 1 d . . .
N5A N 0.3293(3) 0.6332(3) 0.3100(3) 0.0212(19) Uani 1 1 d . . .
N6A N 0.3534(3) 0.6817(3) 0.2936(3) 0.0226(19) Uani 1 1 d . . .
N7A N 0.3434(3) 0.7212(3) 0.2508(3) 0.026(2) Uani 1 1 d . . .
N8A N 0.2265(4) 0.8355(4) 0.0812(4) 0.037(2) Uani 1 1 d . . .
C1A C 0.4495(4) 0.5736(4) 0.2759(4) 0.021(2) Uani 1 1 d . . .
C2A C 0.4696(4) 0.5497(4) 0.2386(4) 0.018(2) Uani 1 1 d . . .
C3A C 0.5260(4) 0.5556(4) 0.1907(4) 0.025(2) Uani 1 1 d . . .
C4A C 0.5373(4) 0.5198(5) 0.1671(4) 0.034(3) Uani 1 1 d . . .
H4AA H 0.5083 0.4922 0.1824 0.041 Uiso 1 1 calc R . .
C5A C 0.5890(5) 0.5236(5) 0.1227(5) 0.038(3) Uani 1 1 d . . .
H5AA H 0.5959 0.4988 0.1075 0.046 Uiso 1 1 calc R . .
C6A C 0.6312(4) 0.5642(4) 0.1000(4) 0.025(2) Uani 1 1 d . . .
C7A C 0.6218(4) 0.6004(4) 0.1216(4) 0.025(2) Uani 1 1 d . . .
H7AA H 0.6510 0.6283 0.1054 0.030 Uiso 1 1 calc R . .
C8A C 0.5700(4) 0.5959(4) 0.1666(4) 0.026(3) Uani 1 1 d . . .
H8AA H 0.5637 0.6206 0.1819 0.032 Uiso 1 1 calc R . .
C9A C 0.5258(4) 0.6757(4) 0.3509(4) 0.023(2) Uani 1 1 d . . .
C10A C 0.5428(4) 0.6239(4) 0.3753(4) 0.024(2) Uani 1 1 d . . .
H10A H 0.5511 0.6024 0.3559 0.029 Uiso 1 1 calc R . .
C11A C 0.5471(4) 0.6050(4) 0.4283(4) 0.033(3) Uani 1 1 d . . .
H11A H 0.5574 0.5698 0.4456 0.040 Uiso 1 1 calc R . .
C12A C 0.5368(4) 0.6363(5) 0.4563(5) 0.037(3) Uani 1 1 d . . .
H12A H 0.5412 0.6235 0.4914 0.044 Uiso 1 1 calc R . .
C13A C 0.5198(4) 0.6866(4) 0.4320(5) 0.034(3) Uani 1 1 d . . .
H13A H 0.5118 0.7082 0.4512 0.041 Uiso 1 1 calc R . .
C14A C 0.5143(4) 0.7057(4) 0.3802(4) 0.030(3) Uani 1 1 d . . .
H14A H 0.5024 0.7403 0.3645 0.036 Uiso 1 1 calc R . .
C15A C 0.5936(4) 0.7240(4) 0.2189(5) 0.029(3) Uani 1 1 d . . .
C16A C 0.6389(4) 0.7151(4) 0.2266(5) 0.034(3) Uani 1 1 d . . .
H16A H 0.6346 0.6934 0.2669 0.040 Uiso 1 1 calc R . .
C17A C 0.6923(4) 0.7377(5) 0.1752(6) 0.044(3) Uani 1 1 d . . .
H17A H 0.7240 0.7306 0.1806 0.053 Uiso 1 1 calc R . .
C18A C 0.6982(4) 0.7701(5) 0.1174(5) 0.039(3) Uani 1 1 d . . .
H18A H 0.7344 0.7856 0.0830 0.046 Uiso 1 1 calc R . .
C19A C 0.6534(5) 0.7808(5) 0.1078(5) 0.048(3) Uani 1 1 d . . .
H19A H 0.6584 0.8038 0.0673 0.058 Uiso 1 1 calc R . .
C20A C 0.6011(5) 0.7575(5) 0.1578(5) 0.042(3) Uani 1 1 d . . .
H20A H 0.5698 0.7638 0.1518 0.051 Uiso 1 1 calc R . .
C21A C 0.4936(4) 0.7624(4) 0.2642(4) 0.023(2) Uani 1 1 d . . .
C22A C 0.5231(4) 0.8103(4) 0.2489(5) 0.034(3) Uani 1 1 d . . .
H22A H 0.5572 0.8094 0.2492 0.040 Uiso 1 1 calc R . .
C23A C 0.5017(5) 0.8585(4) 0.2335(5) 0.039(3) Uani 1 1 d . . .
H23A H 0.5213 0.8909 0.2235 0.047 Uiso 1 1 calc R . .
C24A C 0.4522(6) 0.8611(5) 0.2322(5) 0.048(3) Uani 1 1 d . . .
H24A H 0.4382 0.8950 0.2211 0.058 Uiso 1 1 calc R . .
C25A C 0.4234(4) 0.8138(5) 0.2474(4) 0.032(3) Uani 1 1 d . . .
H25A H 0.3894 0.8150 0.2469 0.039 Uiso 1 1 calc R . .
C26A C 0.4444(4) 0.7635(5) 0.2637(4) 0.030(3) Uani 1 1 d . . .
H26A H 0.4248 0.7309 0.2742 0.036 Uiso 1 1 calc R . .
C27A C 0.3037(4) 0.6382(4) 0.2791(4) 0.018(2) Uani 1 1 d . . .
C28A C 0.3124(4) 0.6976(4) 0.2400(4) 0.018(2) Uani 1 1 d . . .
C29A C 0.2910(4) 0.7312(4) 0.1985(4) 0.022(2) Uani 1 1 d . . .
C30A C 0.3060(4) 0.7886(4) 0.1666(4) 0.027(2) Uani 1 1 d . . .
H30A H 0.3310 0.8045 0.1712 0.033 Uiso 1 1 calc R . .
C31A C 0.2847(4) 0.8234(4) 0.1278(4) 0.031(3) Uani 1 1 d . . .
H31A H 0.2949 0.8625 0.1061 0.037 Uiso 1 1 calc R . .
C32A C 0.2488(4) 0.7992(4) 0.1221(4) 0.027(3) Uani 1 1 d . . .
C33A C 0.2335(4) 0.7427(4) 0.1523(4) 0.030(3) Uani 1 1 d . . .
H33A H 0.2093 0.7271 0.1466 0.036 Uiso 1 1 calc R . .
C34A C 0.2544(4) 0.7091(4) 0.1912(4) 0.025(2) Uani 1 1 d . . .
H34A H 0.2432 0.6701 0.2133 0.030 Uiso 1 1 calc R . .
C35A C 0.1531(4) 0.4720(4) 0.3686(5) 0.026(2) Uani 1 1 d . . .
C36A C 0.1300(5) 0.4955(5) 0.4046(5) 0.052(4) Uani 1 1 d . . .
H36A H 0.1473 0.5304 0.3918 0.062 Uiso 1 1 calc R . .
C37A C 0.0807(6) 0.4680(7) 0.4603(6) 0.073(5) Uani 1 1 d . . .
H37A H 0.0646 0.4849 0.4848 0.087 Uiso 1 1 calc R . .
C38A C 0.0553(5) 0.4183(6) 0.4803(6) 0.054(4) Uani 1 1 d . . .
H38A H 0.0213 0.4008 0.5177 0.065 Uiso 1 1 calc R . .
C39A C 0.0796(5) 0.3932(5) 0.4455(5) 0.043(3) Uani 1 1 d . . .
H39A H 0.0632 0.3574 0.4596 0.052 Uiso 1 1 calc R . .
C40A C 0.1278(5) 0.4205(5) 0.3902(5) 0.040(3) Uani 1 1 d . . .
H40A H 0.1440 0.4031 0.3662 0.048 Uiso 1 1 calc R . .
C41A C 0.1863(4) 0.5470(4) 0.2421(4) 0.025(2) Uani 1 1 d . . .
C42A C 0.1337(4) 0.5346(5) 0.2565(5) 0.033(3) Uani 1 1 d . . .
H42A H 0.1089 0.5061 0.2969 0.040 Uiso 1 1 calc R . .
C43A C 0.1147(4) 0.5617(4) 0.2149(5) 0.034(3) Uani 1 1 d . . .
H43A H 0.0773 0.5524 0.2265 0.041 Uiso 1 1 calc R . .
C44A C 0.1511(4) 0.6024(5) 0.1560(5) 0.038(3) Uani 1 1 d . . .
H44A H 0.1390 0.6205 0.1263 0.046 Uiso 1 1 calc R . .
C45A C 0.2046(4) 0.6174(5) 0.1395(5) 0.034(3) Uani 1 1 d . . .
H45A H 0.2289 0.6468 0.0994 0.040 Uiso 1 1 calc R . .
C46A C 0.2223(5) 0.5894(5) 0.1815(5) 0.038(3) Uani 1 1 d . . .
H46A H 0.2597 0.5986 0.1699 0.045 Uiso 1 1 calc R . .
C47A C 0.2495(4) 0.4612(4) 0.2736(4) 0.028(3) Uani 1 1 d . . .
C48A C 0.2931(5) 0.4440(5) 0.2844(4) 0.037(3) Uani 1 1 d . . .
H48A H 0.3031 0.4567 0.3044 0.044 Uiso 1 1 calc R . .
C49A C 0.3231(5) 0.4071(5) 0.2654(5) 0.046(3) Uani 1 1 d . . .
H49A H 0.3531 0.3950 0.2729 0.055 Uiso 1 1 calc R . .
C50A C 0.3089(5) 0.3891(5) 0.2367(5) 0.041(3) Uani 1 1 d . . .
H50A H 0.3289 0.3642 0.2245 0.049 Uiso 1 1 calc R . .
C51A C 0.2663(5) 0.4063(5) 0.2252(5) 0.040(3) Uani 1 1 d . . .
H51A H 0.2569 0.3941 0.2043 0.048 Uiso 1 1 calc R . .
C52A C 0.2361(4) 0.4427(4) 0.2444(5) 0.036(3) Uani 1 1 d . . .
H52A H 0.2059 0.4544 0.2369 0.043 Uiso 1 1 calc R . .
C53A C 0.4224(4) 0.4708(4) 0.4142(4) 0.021(2) Uani 1 1 d . . .
C54A C 0.4634(4) 0.4933(4) 0.4144(4) 0.029(3) Uani 1 1 d . . .
H54A H 0.4549 0.5172 0.4309 0.035 Uiso 1 1 calc R . .
C55A C 0.5164(4) 0.4829(5) 0.3918(4) 0.034(3) Uani 1 1 d . . .
H55A H 0.5442 0.4999 0.3920 0.041 Uiso 1 1 calc R . .
C56A C 0.5286(4) 0.4475(5) 0.3690(4) 0.039(3) Uani 1 1 d . . .
H56A H 0.5646 0.4385 0.3548 0.047 Uiso 1 1 calc R . .
C57A C 0.4883(5) 0.4253(5) 0.3669(5) 0.043(3) Uani 1 1 d . . .
H57A H 0.4966 0.4015 0.3504 0.052 Uiso 1 1 calc R . .
C58A C 0.4356(4) 0.4377(5) 0.3888(4) 0.033(3) Uani 1 1 d . . .
H58A H 0.4082 0.4231 0.3861 0.040 Uiso 1 1 calc R . .
C59A C 0.3095(4) 0.4224(4) 0.4677(4) 0.023(2) Uani 1 1 d . . .
C60A C 0.3115(4) 0.3678(4) 0.5066(4) 0.032(3) Uani 1 1 d . . .
H60A H 0.3344 0.3611 0.5247 0.039 Uiso 1 1 calc R . .
C61A C 0.2808(5) 0.3242(5) 0.5189(5) 0.050(4) Uani 1 1 d . . .
H61A H 0.2827 0.2876 0.5458 0.060 Uiso 1 1 calc R . .
C62A C 0.2473(5) 0.3314(5) 0.4935(5) 0.045(3) Uani 1 1 d . . .
H62A H 0.2263 0.3003 0.5027 0.054 Uiso 1 1 calc R . .
C63A C 0.2447(5) 0.3842(5) 0.4546(5) 0.042(3) Uani 1 1 d . . .
H63A H 0.2221 0.3902 0.4361 0.050 Uiso 1 1 calc R . .
C64A C 0.2760(4) 0.4297(5) 0.4423(4) 0.031(3) Uani 1 1 d . . .
H64A H 0.2737 0.4663 0.4158 0.038 Uiso 1 1 calc R . .
C65A C 0.3420(4) 0.4809(4) 0.5148(4) 0.020(2) Uani 1 1 d . . .
C66A C 0.3652(4) 0.5294(4) 0.5051(4) 0.027(3) Uani 1 1 d . . .
H66A H 0.3812 0.5614 0.4651 0.033 Uiso 1 1 calc R . .
C67A C 0.3653(4) 0.5317(4) 0.5524(5) 0.032(3) Uani 1 1 d . . .
H67A H 0.3825 0.5643 0.5447 0.039 Uiso 1 1 calc R . .
C68A C 0.3399(4) 0.4855(5) 0.6118(5) 0.036(3) Uani 1 1 d . . .
H68A H 0.3399 0.4867 0.6445 0.043 Uiso 1 1 calc R . .
C69A C 0.3150(4) 0.4386(5) 0.6233(4) 0.028(3) Uani 1 1 d . . .
H69A H 0.2964 0.4079 0.6641 0.034 Uiso 1 1 calc R . .
C70A C 0.3170(4) 0.4361(4) 0.5747(4) 0.025(2) Uani 1 1 d . . .
H70A H 0.3008 0.4028 0.5829 0.030 Uiso 1 1 calc R . .
C71A C 0.2279(4) 0.5208(4) 0.5299(4) 0.022(2) Uani 1 1 d . . .
C72A C 0.2041(4) 0.4733(5) 0.5403(5) 0.035(3) Uani 1 1 d . . .
H72A H 0.2052 0.4723 0.5069 0.042 Uiso 1 1 calc R . .
C73A C 0.1782(4) 0.4259(5) 0.6002(5) 0.036(3) Uani 1 1 d . . .
H73A H 0.1639 0.3923 0.6071 0.043 Uiso 1 1 calc R . .
C74A C 0.1742(4) 0.4299(5) 0.6485(4) 0.042(3) Uani 1 1 d . . .
H74A H 0.1553 0.3995 0.6895 0.050 Uiso 1 1 calc R . .
C75A C 0.1975(4) 0.4772(5) 0.6370(5) 0.038(3) Uani 1 1 d . . .
H75A H 0.1948 0.4793 0.6704 0.046 Uiso 1 1 calc R . .
C76A C 0.2248(4) 0.5221(4) 0.5785(4) 0.025(2) Uani 1 1 d . . .
H76A H 0.2416 0.5543 0.5717 0.029 Uiso 1 1 calc R . .
C77A C 0.2048(4) 0.6032(4) 0.4370(4) 0.022(2) Uani 1 1 d . . .
C78A C 0.1507(4) 0.5726(4) 0.4761(5) 0.030(3) Uani 1 1 d . . .
H78A H 0.1430 0.5368 0.5107 0.036 Uiso 1 1 calc R . .
C79A C 0.1091(4) 0.5950(5) 0.4636(5) 0.040(3) Uani 1 1 d . . .
H79A H 0.0726 0.5743 0.4906 0.048 Uiso 1 1 calc R . .
C80A C 0.1180(5) 0.6455(5) 0.4143(5) 0.039(3) Uani 1 1 d . . .
H80A H 0.0883 0.6595 0.4067 0.046 Uiso 1 1 calc R . .
C81A C 0.1717(5) 0.6768(5) 0.3744(5) 0.040(3) Uani 1 1 d . . .
H81A H 0.1787 0.7122 0.3394 0.048 Uiso 1 1 calc R . .
C82A C 0.2138(4) 0.6561(4) 0.3862(5) 0.030(3) Uani 1 1 d . . .
H82A H 0.2498 0.6778 0.3597 0.036 Uiso 1 1 calc R . .
C83A C 0.2871(4) 0.6351(4) 0.4525(4) 0.026(2) Uani 1 1 d . . .
C84A C 0.3422(4) 0.6587(5) 0.4209(4) 0.028(3) Uani 1 1 d . . .
H84A H 0.3691 0.6459 0.3956 0.034 Uiso 1 1 calc R . .
C85A C 0.3592(5) 0.7006(4) 0.4253(5) 0.036(3) Uani 1 1 d . . .
H85A H 0.3973 0.7159 0.4039 0.043 Uiso 1 1 calc R . .
C86A C 0.3197(5) 0.7196(5) 0.4612(5) 0.049(3) Uani 1 1 d . . .
H86A H 0.3312 0.7474 0.4654 0.058 Uiso 1 1 calc R . .
C87A C 0.2636(5) 0.6990(5) 0.4916(5) 0.054(4) Uani 1 1 d . . .
H87A H 0.2369 0.7137 0.5146 0.065 Uiso 1 1 calc R . .
C88A C 0.2475(5) 0.6567(5) 0.4876(5) 0.035(3) Uani 1 1 d . . .
H88A H 0.2093 0.6418 0.5086 0.042 Uiso 1 1 calc R . .
Pt1B Pt 0.942802(16) 0.669441(16) 0.118922(16) 0.01933(9) Uani 1 1 d . . .
Au1B Au 0.869668(16) 0.519451(17) 0.215553(17) 0.02240(9) Uani 1 1 d . . .
Au2B Au 0.931920(17) 0.750771(18) 0.194883(18) 0.02745(10) Uani 1 1 d . . .
P1B P 0.80385(11) 0.48263(11) 0.21009(12) 0.0243(6) Uani 1 1 d . . .
P2B P 0.99854(12) 0.79881(13) 0.18840(13) 0.0323(7) Uani 1 1 d . . .
P3B P 1.01949(11) 0.64712(11) 0.05931(11) 0.0219(6) Uani 1 1 d . . .
P4B P 0.93628(11) 0.74526(11) 0.03965(11) 0.0234(6) Uani 1 1 d . . .
O1B O 0.8729(5) 0.2766(4) 0.4880(5) 0.116(5) Uani 1 1 d . . .
O2B O 0.9486(5) 0.2999(4) 0.4824(5) 0.112(5) Uani 1 1 d . . .
O3B O 0.6887(4) 0.8218(4) 0.4012(4) 0.067(3) Uani 1 1 d . A .
O4B O 0.6190(7) 0.7742(7) 0.4221(8) 0.053(5) Uiso 0.50 1 d P A 1
O4B' O 0.6271(9) 0.8116(9) 0.3758(9) 0.076(6) Uiso 0.50 1 d P A 2
N1B N 0.9468(3) 0.6039(4) 0.1930(3) 0.023(2) Uani 1 1 d . . .
N2B N 0.9796(3) 0.6160(3) 0.2108(3) 0.028(2) Uani 1 1 d . . .
N3B N 0.9775(3) 0.5696(4) 0.2566(4) 0.027(2) Uani 1 1 d . . .
N4B N 0.9140(6) 0.3104(5) 0.4647(6) 0.084(4) Uani 1 1 d . . .
N5B N 0.8722(3) 0.6810(3) 0.1815(3) 0.0187(19) Uani 1 1 d . . .
N6B N 0.8236(3) 0.6575(3) 0.1975(3) 0.024(2) Uani 1 1 d . . .
N7B N 0.7836(3) 0.6708(4) 0.2357(4) 0.028(2) Uani 1 1 d . . .
N8B N 0.6706(5) 0.7988(6) 0.3857(6) 0.078(4) Uani 1 1 d . . .
C1B C 0.9239(4) 0.5514(4) 0.2259(4) 0.018(2) Uani 1 1 d . . .
C2B C 0.9442(4) 0.5286(4) 0.2681(4) 0.024(2) Uani 1 1 d . . .
C3B C 0.9357(4) 0.4723(4) 0.3190(4) 0.022(2) Uani 1 1 d . . .
C4B C 0.9691(4) 0.4592(5) 0.3464(5) 0.038(3) Uani 1 1 d . . .
H4BA H 0.9971 0.4870 0.3327 0.046 Uiso 1 1 calc R . .
C5B C 0.9620(5) 0.4063(5) 0.3932(5) 0.046(3) Uani 1 1 d . . .
H5BA H 0.9854 0.3978 0.4111 0.055 Uiso 1 1 calc R . .
C6B C 0.9217(5) 0.3661(5) 0.4140(5) 0.044(3) Uani 1 1 d . . .
C7B C 0.8880(4) 0.3768(4) 0.3886(4) 0.030(3) Uani 1 1 d . . .
H7BA H 0.8603 0.3482 0.4032 0.036 Uiso 1 1 calc R . .
C8B C 0.8946(4) 0.4294(4) 0.3417(4) 0.024(2) Uani 1 1 d . . .
H8BA H 0.8710 0.4370 0.3242 0.029 Uiso 1 1 calc R . .
C9B C 0.7717(4) 0.4127(4) 0.2731(5) 0.030(3) Uani 1 1 d . . .
C10B C 0.7778(5) 0.3666(5) 0.2681(5) 0.047(3) Uani 1 1 d . . .
H10B H 0.8004 0.3710 0.2284 0.057 Uiso 1 1 calc R . .
C11B C 0.7526(6) 0.3129(5) 0.3185(6) 0.059(4) Uani 1 1 d . . .
H11B H 0.7578 0.2815 0.3134 0.071 Uiso 1 1 calc R . .
C12B C 0.7204(8) 0.3076(6) 0.3749(6) 0.106(7) Uani 1 1 d . . .
H12B H 0.7032 0.2716 0.4099 0.128 Uiso 1 1 calc R . .
C13B C 0.7118(9) 0.3541(6) 0.3828(6) 0.123(8) Uani 1 1 d . . .
H13B H 0.6887 0.3501 0.4222 0.148 Uiso 1 1 calc R . .
C14B C 0.7380(7) 0.4049(5) 0.3315(5) 0.078(5) Uani 1 1 d . . .
H14B H 0.7328 0.4366 0.3361 0.094 Uiso 1 1 calc R . .
C15B C 0.7457(4) 0.5174(4) 0.2185(4) 0.024(2) Uani 1 1 d . . .
C16B C 0.6956(5) 0.4938(5) 0.2302(4) 0.036(3) Uani 1 1 d . . .
H16B H 0.6922 0.4588 0.2335 0.043 Uiso 1 1 calc R . .
C17B C 0.6511(4) 0.5233(5) 0.2368(4) 0.036(3) Uani 1 1 d . . .
H17B H 0.6178 0.5082 0.2435 0.043 Uiso 1 1 calc R . .
C18B C 0.6548(5) 0.5732(6) 0.2337(5) 0.043(3) Uani 1 1 d . . .
H18B H 0.6246 0.5928 0.2373 0.052 Uiso 1 1 calc R . .
C19B C 0.7025(5) 0.5945(5) 0.2253(5) 0.040(3) Uani 1 1 d . . .
H19B H 0.7043 0.6278 0.2258 0.047 Uiso 1 1 calc R . .
C20B C 0.7474(4) 0.5681(4) 0.2162(4) 0.026(3) Uani 1 1 d . . .
H20B H 0.7806 0.5848 0.2080 0.031 Uiso 1 1 calc R . .
C21B C 0.8281(4) 0.4798(4) 0.1395(4) 0.025(2) Uani 1 1 d . . .
C22B C 0.8758(4) 0.4588(5) 0.1205(5) 0.036(3) Uani 1 1 d . . .
H22B H 0.8950 0.4467 0.1435 0.043 Uiso 1 1 calc R . .
C23B C 0.8966(5) 0.4551(5) 0.0665(5) 0.043(3) Uani 1 1 d . . .
H23B H 0.9303 0.4418 0.0523 0.051 Uiso 1 1 calc R . .
C24B C 0.8672(5) 0.4711(5) 0.0349(5) 0.040(3) Uani 1 1 d . . .
H24B H 0.8796 0.4673 -0.0001 0.048 Uiso 1 1 calc R . .
C25B C 0.8200(5) 0.4926(5) 0.0541(5) 0.043(3) Uani 1 1 d . . .
H25B H 0.8006 0.5047 0.0315 0.052 Uiso 1 1 calc R . .
C26B C 0.8004(4) 0.4967(4) 0.1065(5) 0.033(3) Uani 1 1 d . . .
H26B H 0.7676 0.5114 0.1195 0.040 Uiso 1 1 calc R . .
C27B C 0.8670(4) 0.7102(4) 0.2091(4) 0.015(2) Uani 1 1 d . . .
C28B C 0.8096(4) 0.7036(4) 0.2421(4) 0.024(2) Uani 1 1 d . . .
C29B C 0.7742(4) 0.7273(4) 0.2814(4) 0.027(3) Uani 1 1 d . . .
C30B C 0.7160(5) 0.7176(5) 0.3067(5) 0.044(3) Uani 1 1 d . A .
H30B H 0.7002 0.6947 0.2999 0.053 Uiso 1 1 calc R . .
C31B C 0.6821(5) 0.7406(5) 0.3406(5) 0.048(3) Uani 1 1 d . . .
H31B H 0.6431 0.7338 0.3577 0.057 Uiso 1 1 calc R A .
C32B C 0.7064(5) 0.7735(5) 0.3490(5) 0.040(3) Uani 1 1 d . A .
C33B C 0.7614(4) 0.7851(5) 0.3262(4) 0.035(3) Uani 1 1 d . . .
H33B H 0.7763 0.8088 0.3329 0.042 Uiso 1 1 calc R A .
C34B C 0.7953(4) 0.7608(5) 0.2924(4) 0.033(3) Uani 1 1 d . A .
H34B H 0.8341 0.7675 0.2766 0.040 Uiso 1 1 calc R . .
C35B C 1.0416(4) 0.7575(5) 0.2187(5) 0.037(3) Uani 1 1 d . . .
C36B C 1.0513(5) 0.7079(5) 0.2188(5) 0.047(3) Uani 1 1 d . . .
H36B H 1.0357 0.6966 0.2017 0.056 Uiso 1 1 calc R . .
C37B C 1.0835(5) 0.6744(6) 0.2434(6) 0.053(4) Uani 1 1 d . . .
H37B H 1.0907 0.6414 0.2416 0.063 Uiso 1 1 calc R . .
C38B C 1.1042(5) 0.6892(6) 0.2698(6) 0.056(4) Uani 1 1 d . . .
H38B H 1.1247 0.6659 0.2882 0.067 Uiso 1 1 calc R . .
C39B C 1.0953(5) 0.7377(6) 0.2700(6) 0.052(4) Uani 1 1 d . . .
H39B H 1.1103 0.7480 0.2882 0.063 Uiso 1 1 calc R . .
C40B C 1.0652(5) 0.7722(6) 0.2443(5) 0.051(3) Uani 1 1 d . . .
H40B H 1.0605 0.8062 0.2441 0.061 Uiso 1 1 calc R . .
C41B C 0.9596(5) 0.8262(5) 0.2419(5) 0.038(3) Uani 1 1 d . . .
C42B C 0.9227(5) 0.7868(6) 0.3009(6) 0.050(3) Uani 1 1 d . . .
H42B H 0.9193 0.7487 0.3127 0.060 Uiso 1 1 calc R . .
C43B C 0.8903(6) 0.8036(7) 0.3429(7) 0.073(5) Uani 1 1 d . . .
H43B H 0.8656 0.7771 0.3845 0.088 Uiso 1 1 calc R . .
C44B C 0.8948(8) 0.8604(7) 0.3229(8) 0.087(6) Uani 1 1 d . . .
H44B H 0.8722 0.8728 0.3506 0.105 Uiso 1 1 calc R . .
C45B C 0.9320(8) 0.8981(7) 0.2628(8) 0.093(6) Uani 1 1 d . . .
H45B H 0.9345 0.9366 0.2490 0.112 Uiso 1 1 calc R . .
C46B C 0.9656(6) 0.8807(6) 0.2226(6) 0.059(4) Uani 1 1 d . . .
H46B H 0.9926 0.9067 0.1818 0.070 Uiso 1 1 calc R . .
C47B C 1.0426(5) 0.8565(5) 0.1140(6) 0.043(3) Uani 1 1 d . . .
C48B C 1.0211(5) 0.8827(5) 0.0734(5) 0.055(4) Uani 1 1 d . . .
H48B H 0.9847 0.8692 0.0857 0.066 Uiso 1 1 calc R . .
C49B C 1.0527(6) 0.9286(6) 0.0150(7) 0.072(4) Uani 1 1 d . . .
H49B H 1.0389 0.9445 -0.0133 0.086 Uiso 1 1 calc R . .
C50B C 1.1038(5) 0.9505(5) -0.0015(6) 0.056(4) Uani 1 1 d . . .
H50B H 1.1251 0.9821 -0.0410 0.067 Uiso 1 1 calc R . .
C51B C 1.1242(6) 0.9273(6) 0.0388(6) 0.059(4) Uani 1 1 d . . .
H51B H 1.1592 0.9431 0.0278 0.071 Uiso 1 1 calc R . .
C52B C 1.0929(5) 0.8801(5) 0.0962(6) 0.048(3) Uani 1 1 d . . .
H52B H 1.1075 0.8639 0.1239 0.057 Uiso 1 1 calc R . .
C53B C 1.0263(4) 0.5739(4) 0.0951(4) 0.025(2) Uani 1 1 d . . .
C54B C 1.0052(4) 0.5342(4) 0.0894(5) 0.031(3) Uani 1 1 d . . .
H54B H 0.9854 0.5451 0.0672 0.037 Uiso 1 1 calc R . .
C55B C 1.0129(5) 0.4807(5) 0.1155(5) 0.042(3) Uani 1 1 d . . .
H55B H 0.9983 0.4546 0.1115 0.051 Uiso 1 1 calc R . .
C56B C 1.0414(5) 0.4641(5) 0.1473(5) 0.044(3) Uani 1 1 d . . .
H56B H 1.0470 0.4268 0.1648 0.053 Uiso 1 1 calc R . .
C57B C 1.0623(5) 0.5020(5) 0.1543(5) 0.048(3) Uani 1 1 d . . .
H57B H 1.0825 0.4910 0.1761 0.057 Uiso 1 1 calc R . .
C58B C 1.0530(5) 0.5556(5) 0.1289(5) 0.041(3) Uani 1 1 d . . .
H58B H 1.0657 0.5810 0.1352 0.049 Uiso 1 1 calc R . .
C59B C 1.0820(4) 0.6817(4) 0.0428(4) 0.027(2) Uani 1 1 d . . .
C60B C 1.1353(5) 0.6765(5) 0.0073(4) 0.036(3) Uani 1 1 d . . .
H60B H 1.1405 0.6534 -0.0097 0.043 Uiso 1 1 calc R . .
C61B C 1.1813(5) 0.7050(5) -0.0037(5) 0.044(3) Uani 1 1 d . . .
H61B H 1.2174 0.7030 -0.0304 0.052 Uiso 1 1 calc R . .
C62B C 1.1752(5) 0.7347(5) 0.0228(5) 0.037(3) Uani 1 1 d . . .
H62B H 1.2069 0.7528 0.0159 0.044 Uiso 1 1 calc R . .
C63B C 1.1225(4) 0.7397(4) 0.0607(5) 0.036(3) Uani 1 1 d . . .
H63B H 1.1181 0.7616 0.0789 0.043 Uiso 1 1 calc R . .
C64B C 1.0767(4) 0.7122(4) 0.0712(5) 0.027(2) Uani 1 1 d . . .
H64B H 1.0408 0.7140 0.0984 0.032 Uiso 1 1 calc R . .
C65B C 1.0235(4) 0.6588(4) -0.0116(4) 0.028(3) Uani 1 1 d . . .
C66B C 1.0698(5) 0.6838(4) -0.0695(4) 0.032(3) Uani 1 1 d . . .
H66B H 1.1026 0.6985 -0.0752 0.038 Uiso 1 1 calc R . .
C67B C 1.0688(5) 0.6878(5) -0.1200(5) 0.047(3) Uani 1 1 d . . .
H67B H 1.1007 0.7049 -0.1596 0.056 Uiso 1 1 calc R . .
C68B C 1.0203(6) 0.6661(5) -0.1113(6) 0.050(4) Uani 1 1 d . . .
H68B H 1.0191 0.6685 -0.1451 0.060 Uiso 1 1 calc R . .
C69B C 0.9745(5) 0.6413(5) -0.0538(5) 0.040(3) Uani 1 1 d . . .
H69B H 0.9416 0.6267 -0.0483 0.049 Uiso 1 1 calc R . .
C70B C 0.9753(4) 0.6372(4) -0.0039(5) 0.030(3) Uani 1 1 d . . .
H70B H 0.9433 0.6198 0.0356 0.036 Uiso 1 1 calc R . .
C71B C 1.0032(4) 0.7843(4) -0.0283(4) 0.028(3) Uani 1 1 d . . .
C72B C 1.0392(5) 0.8040(4) -0.0186(5) 0.039(3) Uani 1 1 d . . .
H72B H 1.0280 0.7982 0.0212 0.047 Uiso 1 1 calc R . .
C73B C 1.0921(5) 0.8327(5) -0.0673(6) 0.053(4) Uani 1 1 d . . .
H73B H 1.1170 0.8455 -0.0601 0.063 Uiso 1 1 calc R . .
C74B C 1.1082(5) 0.8424(5) -0.1244(6) 0.049(4) Uani 1 1 d . . .
H74B H 1.1434 0.8637 -0.1577 0.059 Uiso 1 1 calc R . .
C75B C 1.0728(5) 0.8209(5) -0.1341(5) 0.052(4) Uani 1 1 d . . .
H75B H 1.0848 0.8263 -0.1738 0.063 Uiso 1 1 calc R . .
C76B C 1.0197(5) 0.7915(5) -0.0860(5) 0.042(3) Uani 1 1 d . . .
H76B H 0.9956 0.7769 -0.0926 0.050 Uiso 1 1 calc R . .
C77B C 0.9032(4) 0.8002(4) 0.0537(4) 0.024(2) Uani 1 1 d . . .
C78B C 0.9311(5) 0.8530(5) 0.0254(5) 0.043(3) Uani 1 1 d . . .
H78B H 0.9696 0.8622 -0.0031 0.052 Uiso 1 1 calc R . .
C79B C 0.9039(5) 0.8923(5) 0.0381(6) 0.057(4) Uani 1 1 d . . .
H79B H 0.9239 0.9281 0.0189 0.068 Uiso 1 1 calc R . .
C80B C 0.8483(5) 0.8805(5) 0.0780(5) 0.045(3) Uani 1 1 d . . .
H80B H 0.8299 0.9079 0.0864 0.054 Uiso 1 1 calc R . .
C81B C 0.8191(4) 0.8286(4) 0.1059(5) 0.033(3) Uani 1 1 d . . .
H81B H 0.7803 0.8203 0.1329 0.040 Uiso 1 1 calc R . .
C82B C 0.8463(4) 0.7893(4) 0.0945(4) 0.030(3) Uani 1 1 d . . .
H82B H 0.8261 0.7534 0.1148 0.036 Uiso 1 1 calc R . .
C83B C 0.8913(4) 0.7242(4) 0.0210(4) 0.024(2) Uani 1 1 d . . .
C84B C 0.8888(4) 0.7607(5) -0.0334(4) 0.033(3) Uani 1 1 d . . .
H84B H 0.9109 0.7966 -0.0607 0.040 Uiso 1 1 calc R . .
C85B C 0.8540(5) 0.7441(5) -0.0466(5) 0.040(3) Uani 1 1 d . . .
H85B H 0.8521 0.7688 -0.0830 0.048 Uiso 1 1 calc R . .
C86B C 0.8221(4) 0.6921(6) -0.0076(5) 0.041(3) Uani 1 1 d . . .
H86B H 0.7999 0.6801 -0.0182 0.049 Uiso 1 1 calc R . .
C87B C 0.8225(4) 0.6574(5) 0.0475(5) 0.037(3) Uani 1 1 d . . .
H87B H 0.7986 0.6225 0.0761 0.044 Uiso 1 1 calc R . .
C88B C 0.8572(4) 0.6735(4) 0.0602(4) 0.025(2) Uani 1 1 d . . .
H88B H 0.8578 0.6488 0.0975 0.030 Uiso 1 1 calc R . .
Pt1C Pt 1.167347(17) 0.936943(16) -0.366728(17) 0.02428(10) Uani 1 1 d . . .
Au1C Au 1.017653(17) 0.862009(18) -0.269668(19) 0.03156(11) Uani 1 1 d . B .
Au2C Au 1.238523(17) 0.914951(17) -0.270769(18) 0.02806(10) Uani 1 1 d . B .
P1C P 0.98284(13) 0.80043(13) -0.28198(14) 0.0387(8) Uani 1 1 d . . .
P2C P 1.26993(13) 0.97150(12) -0.25089(13) 0.0333(7) Uani 1 1 d . . .
P3C P 1.14523(12) 1.01644(12) -0.42476(12) 0.0303(7) Uani 1 1 d . B .
P4C P 1.2457(3) 0.9352(3) -0.4463(3) 0.021(2) Uiso 0.50 1 d P B 1
P4' P 1.2351(3) 0.9296(3) -0.4461(4) 0.024(2) Uiso 0.50 1 d P B 2
O1C O 0.8020(4) 0.9610(5) -0.0263(5) 0.087(4) Uani 1 1 d . . .
O2C O 0.7702(3) 0.9031(4) -0.0369(5) 0.076(3) Uani 1 1 d . . .
O3C O 1.2894(4) 0.5997(4) -0.0828(4) 0.074(3) Uani 1 1 d . . .
O4C O 1.3113(3) 0.6653(3) -0.0730(3) 0.049(2) Uani 1 1 d . . .
N1C N 1.1049(3) 0.9355(3) -0.2905(3) 0.0224(19) Uani 1 1 d . B .
N2C N 1.1165(3) 0.9657(4) -0.2701(4) 0.032(2) Uani 1 1 d . . .
N3C N 1.0698(4) 0.9644(4) -0.2249(4) 0.033(2) Uani 1 1 d . B .
N4C N 0.8085(4) 0.9321(4) -0.0483(5) 0.046(3) Uani 1 1 d . . .
N5C N 1.1837(3) 0.8648(3) -0.3095(3) 0.025(2) Uani 1 1 d . B .
N6C N 1.1648(4) 0.8180(4) -0.3024(4) 0.035(2) Uani 1 1 d . . .
N7C N 1.1806(4) 0.7765(3) -0.2649(4) 0.033(2) Uani 1 1 d . B .
N8C N 1.2922(4) 0.6473(4) -0.0937(4) 0.042(3) Uani 1 1 d . . .
C1C C 1.0496(4) 0.9138(4) -0.2568(4) 0.028(3) Uani 1 1 d . . .
C2C C 1.0281(4) 0.9339(4) -0.2158(4) 0.024(2) Uani 1 1 d . B .
C3C C 0.9709(4) 0.9305(5) -0.1715(4) 0.034(3) Uani 1 1 d . . .
C4C C 0.9614(5) 0.9604(7) -0.1415(6) 0.083(6) Uani 1 1 d . B .
H4CA H 0.9918 0.9802 -0.1480 0.100 Uiso 1 1 calc R . .
C5C C 0.9075(5) 0.9611(8) -0.1022(7) 0.094(7) Uani 1 1 d . . .
H5CA H 0.9013 0.9830 -0.0836 0.113 Uiso 1 1 calc R B .
C6C C 0.8644(4) 0.9310(5) -0.0904(4) 0.035(3) Uani 1 1 d . B .
C7C C 0.8729(4) 0.9005(5) -0.1176(5) 0.042(3) Uani 1 1 d . . .
H7CA H 0.8425 0.8786 -0.1086 0.050 Uiso 1 1 calc R B .
C8C C 0.9263(5) 0.9014(4) -0.1586(5) 0.040(3) Uani 1 1 d . B .
H8CA H 0.9317 0.8808 -0.1784 0.048 Uiso 1 1 calc R . .
C9C C 1.0217(4) 0.7443(5) -0.2810(5) 0.033(3) Uani 1 1 d . C .
C10C C 1.0688(5) 0.7459(5) -0.2775(5) 0.042(3) Uani 1 1 d . . .
H10C H 1.0797 0.7751 -0.2748 0.051 Uiso 1 1 calc R C .
C11C C 1.1009(5) 0.7043(5) -0.2777(5) 0.040(3) Uani 1 1 d . C .
H11C H 1.1350 0.7068 -0.2781 0.048 Uiso 1 1 calc R . .
C12C C 1.0836(5) 0.6606(5) -0.2773(5) 0.038(3) Uani 1 1 d . . .
H12C H 1.1042 0.6312 -0.2745 0.046 Uiso 1 1 calc R C .
C13C C 1.0381(6) 0.6586(6) -0.2809(6) 0.068(5) Uani 1 1 d . C .
H13C H 1.0271 0.6287 -0.2824 0.081 Uiso 1 1 calc R . .
C14C C 1.0060(5) 0.7008(6) -0.2826(6) 0.061(4) Uani 1 1 d . . .
H14C H 0.9732 0.6989 -0.2847 0.073 Uiso 1 1 calc R C .
C15C C 0.9115(4) 0.7649(4) -0.2219(5) 0.030(3) Uani 1 1 d . C .
C16C C 0.9022(5) 0.7120(5) -0.1740(5) 0.046(3) Uani 1 1 d . . .
H16C H 0.9326 0.6946 -0.1717 0.055 Uiso 1 1 calc R C .
C17C C 0.8474(5) 0.6831(6) -0.1281(6) 0.050(3) Uani 1 1 d . C .
H17C H 0.8408 0.6462 -0.0957 0.060 Uiso 1 1 calc R . .
C18C C 0.8053(5) 0.7095(6) -0.1319(5) 0.050(4) Uani 1 1 d . . .
H18C H 0.7685 0.6907 -0.1013 0.059 Uiso 1 1 calc R C .
C19C C 0.8137(6) 0.7628(7) -0.1783(6) 0.077(5) Uani 1 1 d . C .
H19C H 0.7834 0.7811 -0.1794 0.093 Uiso 1 1 calc R . .
C20C C 0.8684(5) 0.7894(6) -0.2241(7) 0.081(6) Uani 1 1 d . . .
H20C H 0.8749 0.8257 -0.2576 0.097 Uiso 1 1 calc R C .
C21C C 0.9774(8) 0.8382(9) -0.3500(8) 0.046(6) Uiso 0.60 1 d PG C 1
C22C C 0.9732(9) 0.8115(7) -0.3784(11) 0.166(17) Uiso 0.60 1 d PG C 1
H22D H 0.9751 0.7731 -0.3624 0.199 Uiso 0.60 1 calc PR C 1
C23C C 0.9664(9) 0.8408(11) -0.4301(10) 0.174(18) Uiso 0.60 1 d PG C 1
H23D H 0.9635 0.8226 -0.4494 0.209 Uiso 0.60 1 calc PR C 1
C24C C 0.9637(9) 0.8970(11) -0.4535(8) 0.088(9) Uiso 0.60 1 d PG C 1
H24D H 0.9590 0.9171 -0.4888 0.105 Uiso 0.60 1 calc PR C 1
C25C C 0.9679(11) 0.9238(7) -0.4252(11) 0.19(2) Uiso 0.60 1 d PG C 1
H25D H 0.9661 0.9622 -0.4412 0.228 Uiso 0.60 1 calc PR C 1
C26C C 0.9748(10) 0.8944(9) -0.3735(11) 0.125(13) Uiso 0.60 1 d PG C 1
H26D H 0.9776 0.9127 -0.3541 0.149 Uiso 0.60 1 calc PR C 1
C21E C 0.9869(9) 0.8282(8) -0.3599(7) 0.029(8) Uiso 0.40 1 d PG C 2
C22E C 1.0008(8) 0.8023(6) -0.3943(8) 0.023(6) Uiso 0.40 1 d PG C 2
H22E H 1.0124 0.7673 -0.3809 0.028 Uiso 0.40 1 calc PR C 2
C23E C 0.9976(8) 0.8276(7) -0.4484(7) 0.031(7) Uiso 0.40 1 d PG C 2
H23E H 1.0071 0.8099 -0.4720 0.037 Uiso 0.40 1 calc PR C 2
C24E C 0.9806(9) 0.8787(8) -0.4681(7) 0.038(7) Uiso 0.40 1 d PG C 2
H24E H 0.9784 0.8960 -0.5051 0.045 Uiso 0.40 1 calc PR C 2
C25E C 0.9667(10) 0.9046(7) -0.4336(9) 0.049(9) Uiso 0.40 1 d PG C 2
H25E H 0.9551 0.9396 -0.4471 0.059 Uiso 0.40 1 calc PR C 2
C26E C 0.9699(10) 0.8793(8) -0.3795(9) 0.051(9) Uiso 0.40 1 d PG C 2
H26E H 0.9604 0.8970 -0.3560 0.062 Uiso 0.40 1 calc PR C 2
C27C C 1.2078(4) 0.8561(4) -0.2751(4) 0.023(2) Uani 1 1 d . . .
C28C C 1.2070(4) 0.7985(4) -0.2491(4) 0.025(2) Uani 1 1 d . B .
C29C C 1.2290(4) 0.7622(4) -0.2089(4) 0.024(2) Uani 1 1 d . . .
C30C C 1.2573(4) 0.7783(5) -0.1895(5) 0.037(3) Uani 1 1 d . B .
H30C H 1.2626 0.8163 -0.2016 0.044 Uiso 1 1 calc R . .
C31C C 1.2791(4) 0.7412(5) -0.1525(5) 0.043(3) Uani 1 1 d . . .
H31C H 1.2994 0.7542 -0.1408 0.051 Uiso 1 1 calc R B .
C32C C 1.2708(4) 0.6876(5) -0.1338(4) 0.030(3) Uani 1 1 d . B .
C33C C 1.2411(5) 0.6676(5) -0.1496(5) 0.050(3) Uani 1 1 d . . .
H33C H 1.2350 0.6292 -0.1354 0.059 Uiso 1 1 calc R B .
C34C C 1.2205(5) 0.7045(5) -0.1864(5) 0.045(3) Uani 1 1 d . B .
H34C H 1.1998 0.6907 -0.1972 0.054 Uiso 1 1 calc R . .
C35C C 1.2780(4) 0.9281(4) -0.1826(5) 0.032(3) Uani 1 1 d . . .
C36C C 1.3108(5) 0.8903(5) -0.1808(5) 0.041(3) Uani 1 1 d . . .
H36C H 1.3311 0.8876 -0.2169 0.049 Uiso 1 1 calc R . .
C37C C 1.3176(5) 0.8543(5) -0.1302(6) 0.046(3) Uani 1 1 d . . .
H37C H 1.3408 0.8272 -0.1312 0.055 Uiso 1 1 calc R . .
C38C C 1.2903(5) 0.8590(5) -0.0799(5) 0.042(3) Uani 1 1 d . . .
H38C H 1.2955 0.8367 -0.0451 0.051 Uiso 1 1 calc R . .
C39C C 1.2560(7) 0.8951(7) -0.0791(6) 0.098(6) Uani 1 1 d . . .
H39C H 1.2359 0.8974 -0.0428 0.118 Uiso 1 1 calc R . .
C40C C 1.2485(7) 0.9302(6) -0.1305(6) 0.079(5) Uani 1 1 d . . .
H40C H 1.2229 0.9550 -0.1283 0.095 Uiso 1 1 calc R . .
C41C C 1.3379(3) 1.0112(4) -0.3089(3) 0.041(3) Uani 1 1 d G . .
C42C C 1.3754(5) 1.0235(5) -0.2955(4) 0.199(15) Uani 1 1 d G . .
H42C H 1.3668 1.0080 -0.2539 0.239 Uiso 1 1 calc R . .
C43C C 1.4255(4) 1.0586(6) -0.3430(5) 0.163(11) Uani 1 1 d G . .
H43C H 1.4511 1.0670 -0.3339 0.196 Uiso 1 1 calc R . .
C44C C 1.4381(4) 1.0813(5) -0.4040(4) 0.119(8) Uani 1 1 d G . .
H44C H 1.4723 1.1052 -0.4364 0.143 Uiso 1 1 calc R . .
C45C C 1.4006(4) 1.0689(4) -0.4174(3) 0.091(6) Uani 1 1 d G . .
H45C H 1.4092 1.0844 -0.4590 0.110 Uiso 1 1 calc R . .
C46C C 1.3505(4) 1.0339(4) -0.3699(4) 0.078(5) Uani 1 1 d G . .
H46C H 1.3248 1.0254 -0.3790 0.094 Uiso 1 1 calc R . .
C47C C 1.2244(5) 1.0163(5) -0.2304(5) 0.039(3) Uani 1 1 d . . .
C48C C 1.2426(6) 1.0609(5) -0.2297(5) 0.049(3) Uani 1 1 d . . .
H48C H 1.2809 1.0716 -0.2462 0.059 Uiso 1 1 calc R . .
C49C C 1.2053(6) 1.0891(5) -0.2054(6) 0.055(4) Uani 1 1 d . . .
H49C H 1.2175 1.1188 -0.2044 0.066 Uiso 1 1 calc R . .
C50C C 1.1501(6) 1.0734(6) -0.1825(7) 0.066(4) Uani 1 1 d . . .
H50C H 1.1246 1.0929 -0.1655 0.079 Uiso 1 1 calc R . .
C51C C 1.1302(6) 1.0316(6) -0.1828(7) 0.071(4) Uani 1 1 d . . .
H51C H 1.0918 1.0226 -0.1677 0.085 Uiso 1 1 calc R . .
C52C C 1.1686(5) 1.0020(5) -0.2062(6) 0.047(3) Uani 1 1 d . . .
H52C H 1.1556 0.9713 -0.2053 0.056 Uiso 1 1 calc R . .
C53C C 1.1825(4) 1.0751(4) -0.4393(5) 0.035(3) Uani 1 1 d . . .
C54C C 1.2131(5) 1.0667(5) -0.4107(6) 0.052(4) Uani 1 1 d . B .
H54C H 1.2151 1.0297 -0.3849 0.062 Uiso 1 1 calc R . .
C55C C 1.2419(6) 1.1108(6) -0.4178(6) 0.077(5) Uani 1 1 d . . .
H55C H 1.2623 1.1039 -0.3967 0.092 Uiso 1 1 calc R B .
C56C C 1.2391(6) 1.1650(6) -0.4573(6) 0.072(5) Uani 1 1 d . B .
H56C H 1.2603 1.1956 -0.4658 0.086 Uiso 1 1 calc R . .
C57C C 1.2061(6) 1.1745(5) -0.4840(5) 0.064(4) Uani 1 1 d . . .
H57C H 1.2024 1.2114 -0.5080 0.077 Uiso 1 1 calc R B .
C58C C 1.1784(5) 1.1306(5) -0.4761(5) 0.051(4) Uani 1 1 d . B .
H58C H 1.1565 1.1376 -0.4954 0.061 Uiso 1 1 calc R . .
C59C C 1.0731(5) 1.0268(5) -0.3877(5) 0.052(4) Uani 1 1 d . . .
C60C C 1.0593(5) 1.0495(6) -0.3510(5) 0.063(4) Uani 1 1 d . B .
H60C H 1.0858 1.0572 -0.3424 0.075 Uiso 1 1 calc R . .
C61C C 1.0060(7) 1.0612(8) -0.3263(7) 0.108(8) Uani 1 1 d . . .
H61C H 0.9965 1.0777 -0.3017 0.130 Uiso 1 1 calc R B .
C62C C 0.9671(8) 1.0490(9) -0.3375(7) 0.119(11) Uani 1 1 d . B .
H62C H 0.9308 1.0564 -0.3198 0.143 Uiso 1 1 calc R . .
C63C C 0.9801(6) 1.0271(7) -0.3725(9) 0.105(8) Uani 1 1 d . . .
H63C H 0.9527 1.0200 -0.3802 0.126 Uiso 1 1 calc R B .
C64C C 1.0340(5) 1.0133(6) -0.3998(6) 0.070(5) Uani 1 1 d . B .
H64C H 1.0425 0.9965 -0.4241 0.084 Uiso 1 1 calc R . .
C65C C 1.1536(5) 1.0240(5) -0.4948(5) 0.040(3) Uani 1 1 d . . .
C66C C 1.1771(5) 1.0695(5) -0.5537(5) 0.049(4) Uani 1 1 d . B .
H66C H 1.1923 1.1026 -0.5604 0.058 Uiso 1 1 calc R . .
C67C C 1.1796(6) 1.0694(6) -0.6023(6) 0.064(4) Uani 1 1 d . . .
H67C H 1.1963 1.1019 -0.6419 0.077 Uiso 1 1 calc R B .
C68C C 1.1581(8) 1.0227(7) -0.5943(7) 0.096(6) Uani 1 1 d . B .
H68C H 1.1592 1.0233 -0.6284 0.115 Uiso 1 1 calc R . .
C69C C 1.1347(8) 0.9741(7) -0.5372(7) 0.098(6) Uani 1 1 d . . .
H69C H 1.1223 0.9407 -0.5319 0.117 Uiso 1 1 calc R B .
C70C C 1.1305(6) 0.9775(6) -0.4862(5) 0.060(4) Uani 1 1 d . B .
H70C H 1.1110 0.9466 -0.4456 0.072 Uiso 1 1 calc R . .
C71C C 1.2980(4) 0.9094(4) -0.4309(4) 0.030(3) Uani 1 1 d . . .
C72C C 1.3015(5) 0.8553(5) -0.4043(5) 0.049(4) Uani 1 1 d . B .
H72C H 1.2738 0.8294 -0.3941 0.059 Uiso 1 1 calc R . .
C73C C 1.3444(5) 0.8357(6) -0.3911(5) 0.064(4) Uani 1 1 d . . .
H73C H 1.3451 0.7970 -0.3715 0.077 Uiso 1 1 calc R B .
C74C C 1.3848(5) 0.8723(8) -0.4065(5) 0.077(6) Uani 1 1 d . B .
H74C H 1.4142 0.8596 -0.3980 0.092 Uiso 1 1 calc R . .
C75C C 1.3827(6) 0.9273(7) -0.4343(6) 0.068(5) Uani 1 1 d . . .
H75C H 1.4115 0.9534 -0.4464 0.082 Uiso 1 1 calc R B .
C76C C 1.3387(5) 0.9459(5) -0.4451(5) 0.050(3) Uani 1 1 d . B .
H76C H 1.3368 0.9843 -0.4625 0.061 Uiso 1 1 calc R . .
C77C C 1.2172(7) 0.8722(6) -0.4488(8) 0.025(6) Uiso 0.463(19) 1 d PG B 1
C78C C 1.1621(6) 0.8509(7) -0.4224(8) 0.035(7) Uiso 0.463(19) 1 d PG B 1
H78C H 1.1337 0.8636 -0.3981 0.042 Uiso 0.463(19) 1 calc PR B 1
C79C C 1.1483(5) 0.8111(7) -0.4317(7) 0.027(6) Uiso 0.463(19) 1 d PG B 1
H79C H 1.1106 0.7966 -0.4137 0.033 Uiso 0.463(19) 1 calc PR B 1
C80C C 1.1898(7) 0.7926(7) -0.4673(8) 0.039(7) Uiso 0.463(19) 1 d PG B 1
H80C H 1.1804 0.7654 -0.4736 0.047 Uiso 0.463(19) 1 calc PR B 1
C81C C 1.2450(6) 0.8139(8) -0.4936(8) 0.051(9) Uiso 0.463(19) 1 d PG B 1
H81C H 1.2733 0.8013 -0.5180 0.061 Uiso 0.463(19) 1 calc PR B 1
C82C C 1.2587(5) 0.8537(7) -0.4844(8) 0.027(6) Uiso 0.463(19) 1 d PG B 1
H82C H 1.2964 0.8682 -0.5024 0.033 Uiso 0.463(19) 1 calc PR B 1
C77' C 1.2306(7) 0.8879(7) -0.4686(8) 0.034(6) Uiso 0.537(19) 1 d PG B 2
C78' C 1.1782(6) 0.8569(7) -0.4358(7) 0.049(8) Uiso 0.537(19) 1 d PG B 2
H78D H 1.1501 0.8586 -0.4011 0.058 Uiso 0.537(19) 1 calc PR B 2
C79' C 1.1668(6) 0.8234(7) -0.4538(7) 0.039(6) Uiso 0.537(19) 1 d PG B 2
H79D H 1.1309 0.8022 -0.4314 0.047 Uiso 0.537(19) 1 calc PR B 2
C80' C 1.2078(7) 0.8210(7) -0.5045(8) 0.055(7) Uiso 0.537(19) 1 d PG B 2
H80D H 1.2001 0.7981 -0.5168 0.067 Uiso 0.537(19) 1 calc PR B 2
C81' C 1.2603(6) 0.8520(8) -0.5373(8) 0.054(8) Uiso 0.537(19) 1 d PG B 2
H81D H 1.2884 0.8504 -0.5720 0.064 Uiso 0.537(19) 1 calc PR B 2
C82' C 1.2717(5) 0.8855(7) -0.5193(8) 0.052(7) Uiso 0.537(19) 1 d PG B 2
H82D H 1.3076 0.9067 -0.5417 0.062 Uiso 0.537(19) 1 calc PR B 2
C83C C 1.2796(5) 1.0034(4) -0.5184(4) 0.023(5) Uiso 0.50 1 d PG B 1
C84C C 1.2924(5) 1.0144(4) -0.5765(5) 0.021(4) Uiso 0.50 1 d PG B 1
H84C H 1.2826 0.9862 -0.5813 0.025 Uiso 0.50 1 calc PR B 1
C85C C 1.3195(6) 1.0666(5) -0.6277(4) 0.024(5) Uiso 0.50 1 d PG B 1
H85C H 1.3282 1.0741 -0.6674 0.029 Uiso 0.50 1 calc PR B 1
C86C C 1.3339(6) 1.1078(4) -0.6207(5) 0.046(6) Uiso 0.50 1 d PG B 1
H86C H 1.3524 1.1435 -0.6556 0.055 Uiso 0.50 1 calc PR B 1
C87C C 1.3211(6) 1.0968(4) -0.5626(6) 0.037(6) Uiso 0.50 1 d PG B 1
H87C H 1.3309 1.1250 -0.5578 0.044 Uiso 0.50 1 calc PR B 1
C88C C 1.2940(5) 1.0446(5) -0.5114(4) 0.017(4) Uiso 0.50 1 d PG B 1
H88C H 1.2852 1.0370 -0.4717 0.021 Uiso 0.50 1 calc PR B 1
C83' C 1.2654(5) 0.9875(5) -0.5253(4) 0.024(5) Uiso 0.50 1 d PG B 2
C84' C 1.2646(5) 0.9788(4) -0.5690(5) 0.029(5) Uiso 0.50 1 d PG B 2
H84D H 1.2477 0.9440 -0.5569 0.034 Uiso 0.50 1 calc PR B 2
C85' C 1.2885(6) 1.0210(5) -0.6303(5) 0.032(5) Uiso 0.50 1 d PG B 2
H85D H 1.2880 1.0151 -0.6601 0.039 Uiso 0.50 1 calc PR B 2
C86' C 1.3132(6) 1.0719(5) -0.6480(4) 0.031(5) Uiso 0.50 1 d PG B 2
H86D H 1.3296 1.1008 -0.6899 0.037 Uiso 0.50 1 calc PR B 2
C87' C 1.3140(6) 1.0806(4) -0.6043(6) 0.037(6) Uiso 0.50 1 d PG B 2
H87D H 1.3309 1.1154 -0.6164 0.044 Uiso 0.50 1 calc PR B 2
C88' C 1.2901(6) 1.0384(5) -0.5430(5) 0.031(5) Uiso 0.50 1 d PG B 2
H88D H 1.2906 1.0443 -0.5132 0.037 Uiso 0.50 1 calc PR B 2
Pt1D Pt 0.572416(16) -0.177022(16) 0.869870(16) 0.01840(9) Uani 1 1 d . . .
Au1D Au 0.588760(16) -0.242749(16) 0.779865(16) 0.02163(9) Uani 1 1 d . . .
Au2D Au 0.62400(2) -0.024339(18) 0.78831(2) 0.03527(12) Uani 1 1 d . F .
P1D P 0.52318(10) -0.28790(11) 0.78251(11) 0.0210(6) Uani 1 1 d . . .
P2D P 0.68143(16) 0.01606(13) 0.80058(14) 0.0470(9) Uani 1 1 d . . .
P3D P 0.58588(10) -0.24756(11) 0.94708(11) 0.0202(6) Uani 1 1 d . . .
P4D P 0.48948(11) -0.16449(11) 0.93169(11) 0.0214(6) Uani 1 1 d . . .
O1D O 0.8898(8) -0.2965(12) 0.5852(13) 0.055(9) Uiso 0.53(6) 1 d P D 1
O2D O 0.8327(12) -0.2955(10) 0.5573(10) 0.039(6) Uiso 0.53(6) 1 d P D 1
O1D' O 0.8983(13) -0.2687(19) 0.555(2) 0.087(12) Uiso 0.47(6) 1 d P D 2
O2D' O 0.8160(14) -0.3050(11) 0.5670(12) 0.047(8) Uiso 0.47(6) 1 d P D 2
O3D O 0.5976(16) 0.1934(10) 0.4924(12) 0.055(11) Uiso 0.38(4) 1 d P E 1
O4D O 0.5642(12) 0.2170(10) 0.5651(11) 0.025(7) Uiso 0.38(4) 1 d P E 1
O3D' O 0.5632(9) 0.1908(6) 0.5057(6) 0.044(6) Uiso 0.62(4) 1 d P E 2
O4D' O 0.5822(9) 0.2212(7) 0.5507(9) 0.040(5) Uiso 0.62(4) 1 d P E 2
N1D N 0.6460(3) -0.1832(3) 0.8071(3) 0.0179(19) Uani 1 1 d . . .
N2D N 0.6954(3) -0.1617(3) 0.7941(3) 0.0207(19) Uani 1 1 d . . .
N3D N 0.7345(3) -0.1728(3) 0.7533(3) 0.024(2) Uani 1 1 d . . .
N4D N 0.8457(5) -0.2855(5) 0.5830(5) 0.058(3) Uani 1 1 d . . .
N5D N 0.5664(3) -0.1126(3) 0.7956(3) 0.027(2) Uani 1 1 d . F .
N6D N 0.5454(3) -0.1267(4) 0.7687(4) 0.031(2) Uani 1 1 d . . .
N7D N 0.5479(3) -0.0804(4) 0.7214(4) 0.030(2) Uani 1 1 d . . .
N8D N 0.5752(4) 0.1841(4) 0.5466(4) 0.040(3) Uani 1 1 d . . .
C1D C 0.6544(4) -0.2064(4) 0.7698(4) 0.017(2) Uani 1 1 d . . .
C2D C 0.7103(4) -0.2001(4) 0.7390(4) 0.017(2) Uani 1 1 d . . .
C3D C 0.7446(4) -0.2217(4) 0.6992(4) 0.028(3) Uani 1 1 d . . .
C4D C 0.7989(5) -0.2223(6) 0.6827(6) 0.057(4) Uani 1 1 d . D .
H4DA H 0.8142 -0.2088 0.6984 0.068 Uiso 1 1 calc R . .
C5D C 0.8329(5) -0.2417(6) 0.6439(7) 0.068(4) Uani 1 1 d . . .
H5DA H 0.8710 -0.2407 0.6324 0.081 Uiso 1 1 calc R D .
C6D C 0.8101(5) -0.2621(5) 0.6229(5) 0.041(3) Uani 1 1 d . D .
C7D C 0.7545(5) -0.2637(5) 0.6383(4) 0.038(3) Uani 1 1 d . . .
H7DA H 0.7391 -0.2781 0.6234 0.045 Uiso 1 1 calc R D .
C8D C 0.7233(4) -0.2433(4) 0.6766(4) 0.033(3) Uani 1 1 d . D .
H8DA H 0.6852 -0.2439 0.6882 0.040 Uiso 1 1 calc R . .
C9D C 0.5566(4) -0.3090(4) 0.7258(4) 0.028(3) Uani 1 1 d . . .
C10D C 0.5453(4) -0.3622(4) 0.7375(5) 0.030(3) Uani 1 1 d . . .
H10D H 0.5182 -0.3897 0.7773 0.036 Uiso 1 1 calc R . .
C11D C 0.5735(5) -0.3750(5) 0.6912(5) 0.040(3) Uani 1 1 d . . .
H11D H 0.5663 -0.4115 0.6999 0.048 Uiso 1 1 calc R . .
C12D C 0.6116(5) -0.3356(5) 0.6334(5) 0.038(3) Uani 1 1 d . . .
H12D H 0.6297 -0.3446 0.6017 0.046 Uiso 1 1 calc R . .
C13D C 0.6236(5) -0.2841(6) 0.6211(5) 0.050(4) Uani 1 1 d . . .
H13D H 0.6514 -0.2574 0.5813 0.061 Uiso 1 1 calc R . .
C14D C 0.5956(4) -0.2696(5) 0.6659(5) 0.040(3) Uani 1 1 d . . .
H14D H 0.6030 -0.2326 0.6559 0.048 Uiso 1 1 calc R . .
C15D C 0.4739(4) -0.2472(4) 0.7626(4) 0.026(2) Uani 1 1 d . . .
C16D C 0.4472(4) -0.2584(4) 0.7378(4) 0.030(3) Uani 1 1 d . . .
H16D H 0.4534 -0.2898 0.7328 0.036 Uiso 1 1 calc R . .
C17D C 0.4124(5) -0.2264(5) 0.7203(5) 0.038(3) Uani 1 1 d . . .
H17D H 0.3942 -0.2358 0.7042 0.046 Uiso 1 1 calc R . .
C18D C 0.4038(4) -0.1790(4) 0.7264(5) 0.036(3) Uani 1 1 d . . .
H18D H 0.3792 -0.1563 0.7149 0.043 Uiso 1 1 calc R . .
C19D C 0.4313(4) -0.1657(5) 0.7493(5) 0.035(3) Uani 1 1 d . . .
H19D H 0.4265 -0.1334 0.7527 0.042 Uiso 1 1 calc R . .
C20D C 0.4664(4) -0.2002(5) 0.7673(5) 0.032(3) Uani 1 1 d . . .
H20D H 0.4853 -0.1911 0.7831 0.038 Uiso 1 1 calc R . .
C21D C 0.4828(4) -0.3504(4) 0.8576(4) 0.022(2) Uani 1 1 d . . .
C22D C 0.4331(4) -0.3762(4) 0.8741(4) 0.028(3) Uani 1 1 d . . .
H22C H 0.4198 -0.3627 0.8454 0.034 Uiso 1 1 calc R . .
C23D C 0.4023(4) -0.4221(4) 0.9328(4) 0.033(3) Uani 1 1 d . . .
H23C H 0.3675 -0.4392 0.9448 0.039 Uiso 1 1 calc R . .
C24D C 0.4233(5) -0.4423(5) 0.9734(5) 0.042(3) Uani 1 1 d . . .
H24C H 0.4024 -0.4731 1.0138 0.050 Uiso 1 1 calc R . .
C25D C 0.4748(5) -0.4179(5) 0.9555(5) 0.038(3) Uani 1 1 d . . .
H25C H 0.4897 -0.4330 0.9828 0.046 Uiso 1 1 calc R . .
C26D C 0.5045(4) -0.3708(4) 0.8969(4) 0.029(3) Uani 1 1 d . . .
H26C H 0.5391 -0.3532 0.8846 0.035 Uiso 1 1 calc R . .
C27D C 0.5829(4) -0.0592(4) 0.7672(5) 0.023(2) Uani 1 1 d . . .
C28D C 0.5689(4) -0.0379(4) 0.7199(4) 0.019(2) Uani 1 1 d . F .
C29D C 0.5735(4) 0.0194(5) 0.6738(5) 0.030(3) Uani 1 1 d . . .
C30D C 0.5747(5) 0.0631(5) 0.6837(5) 0.038(3) Uani 1 1 d . E .
H30D H 0.5737 0.0555 0.7205 0.045 Uiso 1 1 calc R . .
C31D C 0.5774(5) 0.1172(4) 0.6412(5) 0.039(3) Uani 1 1 d . . .
H31D H 0.5794 0.1465 0.6482 0.046 Uiso 1 1 calc R E .
C32D C 0.5771(4) 0.1281(4) 0.5882(4) 0.028(3) Uani 1 1 d . E .
C33D C 0.5791(5) 0.0858(5) 0.5757(5) 0.042(3) Uani 1 1 d . . .
H33D H 0.5815 0.0937 0.5381 0.050 Uiso 1 1 calc R E .
C34D C 0.5775(5) 0.0321(4) 0.6181(5) 0.038(3) Uani 1 1 d . E .
H34D H 0.5791 0.0034 0.6091 0.045 Uiso 1 1 calc R . .
C35D C 0.6936(5) 0.0907(4) 0.7505(4) 0.026(4) Uiso 0.60 1 d PG F 1
C36D C 0.6921(5) 0.1103(4) 0.6960(5) 0.034(4) Uiso 0.60 1 d PG F 1
H36D H 0.6795 0.0854 0.6891 0.041 Uiso 0.60 1 calc PR F 1
C37D C 0.7092(5) 0.1663(5) 0.6517(4) 0.053(6) Uiso 0.60 1 d PG F 1
H37D H 0.7082 0.1797 0.6145 0.064 Uiso 0.60 1 calc PR F 1
C38D C 0.7277(5) 0.2028(4) 0.6619(5) 0.044(5) Uiso 0.60 1 d PG F 1
H38D H 0.7394 0.2411 0.6316 0.053 Uiso 0.60 1 calc PR F 1
C39D C 0.7292(5) 0.1832(4) 0.7163(6) 0.050(7) Uiso 0.60 1 d PG F 1
H39D H 0.7419 0.2081 0.7233 0.061 Uiso 0.60 1 calc PR F 1
C40D C 0.7122(5) 0.1271(5) 0.7606(4) 0.024(4) Uiso 0.60 1 d PG F 1
H40D H 0.7132 0.1137 0.7978 0.029 Uiso 0.60 1 calc PR F 1
Cl1E Cl 0.8445(6) 0.0924(7) 0.6260(7) 0.078(5) Uiso 0.25 1 d PD G 1
Cl2E Cl 0.9310(8) 0.1652(9) 0.5084(8) 0.122(7) Uiso 0.25 1 d PD G 1
C27E C 0.891(3) 0.152(2) 0.5848(15) 0.13(3) Uiso 0.25 1 d PD G 1
H27A H 0.9149 0.1481 0.6030 0.153 Uiso 0.25 1 calc PR G 1
H27B H 0.8712 0.1836 0.5852 0.153 Uiso 0.25 1 calc PR G 1
C35' C 0.7250(10) 0.0890(7) 0.7333(10) 0.076(12) Uiso 0.40 1 d PG F 2
C36' C 0.7688(10) 0.0986(9) 0.6771(12) 0.088(13) Uiso 0.40 1 d PG F 2
H36E H 0.7802 0.0684 0.6705 0.105 Uiso 0.40 1 calc PR F 2
C37' C 0.7960(8) 0.1524(11) 0.6304(9) 0.085(13) Uiso 0.40 1 d PG F 2
H37E H 0.8260 0.1590 0.5920 0.103 Uiso 0.40 1 calc PR F 2
C38' C 0.7794(9) 0.1966(8) 0.6400(8) 0.073(11) Uiso 0.40 1 d PG F 2
H38E H 0.7980 0.2333 0.6082 0.088 Uiso 0.40 1 calc PR F 2
C39' C 0.7355(8) 0.1869(7) 0.6963(10) 0.031(7) Uiso 0.40 1 d PG F 2
H39E H 0.7242 0.2171 0.7029 0.037 Uiso 0.40 1 calc PR F 2
C40' C 0.7083(8) 0.1331(9) 0.7429(8) 0.037(8) Uiso 0.40 1 d PG F 2
H40E H 0.6784 0.1265 0.7814 0.045 Uiso 0.40 1 calc PR F 2
C41D C 0.6550(5) 0.0134(4) 0.8738(5) 0.035(3) Uani 1 1 d . F .
C42D C 0.6080(5) 0.0351(5) 0.8949(6) 0.050(4) Uani 1 1 d . . .
H42D H 0.5886 0.0492 0.8722 0.060 Uiso 1 1 calc R F .
C43D C 0.5890(6) 0.0365(6) 0.9473(7) 0.072(5) Uani 1 1 d . F .
H43D H 0.5561 0.0506 0.9616 0.087 Uiso 1 1 calc R . .
C44D C 0.6168(6) 0.0177(6) 0.9801(6) 0.065(4) Uani 1 1 d . . .
H44D H 0.6051 0.0219 1.0149 0.078 Uiso 1 1 calc R F .
C45D C 0.6614(5) -0.0069(7) 0.9629(6) 0.070(5) Uani 1 1 d . F .
H45D H 0.6793 -0.0224 0.9871 0.084 Uiso 1 1 calc R . .
C46D C 0.6807(5) -0.0092(5) 0.9094(5) 0.048(3) Uani 1 1 d . . .
H46D H 0.7117 -0.0265 0.8973 0.058 Uiso 1 1 calc R F .
C47D C 0.7445(5) -0.0118(5) 0.7858(5) 0.050(4) Uani 1 1 d . F .
C48D C 0.7885(7) 0.0069(6) 0.7866(5) 0.064(4) Uani 1 1 d . . .
H48D H 0.7857 0.0365 0.7944 0.077 Uiso 1 1 calc R F .
C49D C 0.8349(6) -0.0157(7) 0.7766(6) 0.071(5) Uani 1 1 d . F .
H49D H 0.8634 -0.0030 0.7793 0.086 Uiso 1 1 calc R . .
C50D C 0.8410(5) -0.0578(7) 0.7622(6) 0.066(4) Uani 1 1 d . . .
H50D H 0.8743 -0.0726 0.7531 0.079 Uiso 1 1 calc R F .
C51D C 0.7975(5) -0.0777(6) 0.7615(5) 0.054(4) Uani 1 1 d . F .
H51D H 0.8003 -0.1068 0.7529 0.065 Uiso 1 1 calc R . .
C52D C 0.7503(5) -0.0543(5) 0.7736(4) 0.043(3) Uani 1 1 d . . .
H52D H 0.7206 -0.0681 0.7734 0.051 Uiso 1 1 calc R F .
C53D C 0.6447(4) -0.2274(4) 0.9494(4) 0.021(2) Uani 1 1 d . . .
C54D C 0.6681(4) -0.1718(4) 0.9194(4) 0.022(2) Uani 1 1 d . . .
H54D H 0.6545 -0.1435 0.8951 0.026 Uiso 1 1 calc R . .
C55D C 0.7106(4) -0.1579(5) 0.9246(5) 0.035(3) Uani 1 1 d . . .
H55D H 0.7264 -0.1202 0.9039 0.042 Uiso 1 1 calc R . .
C56D C 0.7299(4) -0.1987(5) 0.9596(4) 0.031(3) Uani 1 1 d . . .
H56D H 0.7595 -0.1888 0.9628 0.038 Uiso 1 1 calc R . .
C57D C 0.7073(4) -0.2540(4) 0.9906(4) 0.025(2) Uani 1 1 d . . .
H57D H 0.7209 -0.2820 1.0152 0.030 Uiso 1 1 calc R . .
C58D C 0.6653(4) -0.2675(4) 0.9851(4) 0.024(2) Uani 1 1 d . . .
H58D H 0.6495 -0.3054 1.0064 0.029 Uiso 1 1 calc R . .
C59D C 0.5299(4) -0.2777(4) 1.0260(4) 0.021(2) Uani 1 1 d . . .
C60D C 0.5348(4) -0.2744(4) 1.0715(4) 0.022(2) Uani 1 1 d . . .
H60D H 0.5677 -0.2547 1.0606 0.026 Uiso 1 1 calc R . .
C61D C 0.4930(4) -0.2992(4) 1.1304(4) 0.032(3) Uani 1 1 d . . .
H61D H 0.4978 -0.2980 1.1607 0.039 Uiso 1 1 calc R . .
C62D C 0.4432(4) -0.3265(4) 1.1478(4) 0.029(3) Uani 1 1 d . . .
H62D H 0.4143 -0.3434 1.1893 0.035 Uiso 1 1 calc R . .
C63D C 0.4369(4) -0.3283(4) 1.1046(5) 0.032(3) Uani 1 1 d . . .
H63D H 0.4027 -0.3453 1.1152 0.039 Uiso 1 1 calc R . .
C64D C 0.4799(5) -0.3056(4) 1.0452(4) 0.032(3) Uani 1 1 d . . .
H64D H 0.4752 -0.3092 1.0161 0.038 Uiso 1 1 calc R . .
C65D C 0.6055(4) -0.3070(4) 0.9386(4) 0.022(2) Uani 1 1 d . . .
C66D C 0.6592(4) -0.3011(4) 0.8907(4) 0.024(2) Uani 1 1 d . . .
H66D H 0.6827 -0.2660 0.8641 0.029 Uiso 1 1 calc R . .
C67D C 0.6784(4) -0.3450(4) 0.8814(5) 0.030(3) Uani 1 1 d . . .
H67D H 0.7131 -0.3391 0.8470 0.036 Uiso 1 1 calc R . .
C68D C 0.6465(4) -0.3975(5) 0.9226(5) 0.036(3) Uani 1 1 d . . .
H68D H 0.6599 -0.4281 0.9178 0.043 Uiso 1 1 calc R . .
C69D C 0.5954(4) -0.4050(5) 0.9705(5) 0.033(3) Uani 1 1 d . . .
H69D H 0.5734 -0.4410 0.9985 0.040 Uiso 1 1 calc R . .
C70D C 0.5750(4) -0.3605(4) 0.9789(4) 0.031(3) Uani 1 1 d . . .
H70D H 0.5396 -0.3671 1.0128 0.037 Uiso 1 1 calc R . .
C71D C 0.4675(4) -0.0994(4) 0.8922(4) 0.017(2) Uani 1 1 d . . .
C72D C 0.4731(4) -0.0534(4) 0.8961(4) 0.033(3) Uani 1 1 d . . .
H72D H 0.4889 -0.0542 0.9196 0.040 Uiso 1 1 calc R . .
C73D C 0.4555(5) -0.0063(4) 0.8653(5) 0.038(3) Uani 1 1 d . . .
H73D H 0.4580 0.0249 0.8693 0.046 Uiso 1 1 calc R . .
C74D C 0.4343(5) -0.0032(5) 0.8289(5) 0.047(3) Uani 1 1 d . . .
H74D H 0.4238 0.0301 0.8067 0.056 Uiso 1 1 calc R . .
C75D C 0.4286(5) -0.0496(5) 0.8250(5) 0.047(3) Uani 1 1 d . . .
H75D H 0.4140 -0.0485 0.8005 0.056 Uiso 1 1 calc R . .
C76D C 0.4446(4) -0.0975(4) 0.8576(4) 0.033(3) Uani 1 1 d . . .
H76D H 0.4398 -0.1297 0.8561 0.040 Uiso 1 1 calc R . .
C77D C 0.4898(4) -0.1600(4) 0.9937(4) 0.021(2) Uani 1 1 d . . .
C78D C 0.5379(4) -0.1282(4) 0.9758(4) 0.025(2) Uani 1 1 d . . .
H78E H 0.5670 -0.1113 0.9343 0.030 Uiso 1 1 calc R . .
C79D C 0.5425(4) -0.1220(4) 1.0180(5) 0.033(3) Uani 1 1 d . . .
H79E H 0.5746 -0.0997 1.0053 0.040 Uiso 1 1 calc R . .
C80D C 0.5020(4) -0.1471(4) 1.0782(5) 0.032(3) Uani 1 1 d . . .
H80E H 0.5063 -0.1427 1.1070 0.039 Uiso 1 1 calc R . .
C81D C 0.4539(4) -0.1795(4) 1.0977(4) 0.030(3) Uani 1 1 d . . .
H81E H 0.4251 -0.1966 1.1393 0.036 Uiso 1 1 calc R . .
C82D C 0.4495(4) -0.1859(4) 1.0539(4) 0.025(2) Uani 1 1 d . . .
H82E H 0.4179 -0.2087 1.0665 0.030 Uiso 1 1 calc R . .
C83D C 0.4329(4) -0.2148(4) 0.9594(4) 0.020(2) Uani 1 1 d . . .
C84D C 0.3786(4) -0.2199(4) 1.0019(4) 0.028(3) Uani 1 1 d . . .
H84E H 0.3699 -0.1973 1.0201 0.034 Uiso 1 1 calc R . .
C85D C 0.3369(4) -0.2574(5) 1.0184(4) 0.030(3) Uani 1 1 d . . .
H85E H 0.3001 -0.2610 1.0484 0.036 Uiso 1 1 calc R . .
C86D C 0.3483(4) -0.2890(5) 0.9920(5) 0.037(3) Uani 1 1 d . . .
H86E H 0.3191 -0.3140 1.0033 0.044 Uiso 1 1 calc R . .
C87D C 0.4020(5) -0.2857(4) 0.9485(5) 0.035(3) Uani 1 1 d . . .
H87E H 0.4094 -0.3080 0.9302 0.042 Uiso 1 1 calc R . .
C88D C 0.4442(4) -0.2492(5) 0.9327(5) 0.034(3) Uani 1 1 d . . .
H88E H 0.4811 -0.2470 0.9039 0.041 Uiso 1 1 calc R . .
Cl1 Cl 1.01174(14) 0.55100(15) 0.38797(14) 0.0605(10) Uani 1 1 d D . .
Cl2 Cl 0.94774(15) 0.64110(16) 0.37847(16) 0.0662(10) Uani 1 1 d D . .
C89 C 0.9606(5) 0.5814(5) 0.3698(6) 0.067(4) Uani 1 1 d D . .
H89A H 0.9260 0.5539 0.3971 0.081 Uiso 1 1 calc R . .
H89B H 0.9723 0.5924 0.3267 0.081 Uiso 1 1 calc R . .
Cl3 Cl 0.6370(8) 0.4456(8) 0.8796(9) 0.033(3) Uani 0.50 1 d P H 3
Cl4 Cl 0.5527(11) 0.5139(10) 0.8837(9) 0.073(7) Uani 0.50 1 d P H 3
Cl3' Cl 0.6286(10) 0.4381(10) 0.8909(10) 0.079(7) Uani 0.50 1 d P H 4
Cl4' Cl 0.5491(7) 0.5152(7) 0.8842(5) 0.023(3) Uani 0.50 1 d P H 4
C90 C 0.5832(4) 0.4664(5) 0.8616(5) 0.040(3) Uiso 1 1 d . . .
H90A H 0.5981 0.4832 0.8166 0.048 Uiso 0.50 1 calc PR H 3
H90B H 0.5550 0.4335 0.8829 0.048 Uiso 0.50 1 calc PR H 3
H90C H 0.5555 0.4360 0.8758 0.048 Uiso 0.50 1 d PR H 5
H90D H 0.6042 0.4858 0.8160 0.048 Uiso 0.50 1 d PR H 5
Cl5 Cl 1.5054(3) 1.0368(3) -0.5887(3) 0.0523(19) Uani 0.50 1 d P I 16
Cl6 Cl 1.4584(3) 1.1354(3) -0.5913(3) 0.0568(18) Uani 0.50 1 d P I 16
C91 C 1.4545(12) 1.0769(14) -0.6012(15) 0.047(8) Uani 0.50 1 d P I 16
H91A H 1.4172 1.0538 -0.5715 0.056 Uiso 0.50 1 calc PR I 16
H91B H 1.4611 1.0905 -0.6434 0.056 Uiso 0.50 1 calc PR I 16
Cl7 Cl 1.4801(4) 1.0670(4) -0.5811(4) 0.074(2) Uani 0.50 1 d P J 6
Cl8 Cl 1.3862(3) 1.1226(3) -0.5540(3) 0.063(2) Uani 0.50 1 d P J 6
C92 C 1.4509(15) 1.1156(15) -0.6155(12) 0.077(13) Uani 0.50 1 d P J 6
H92A H 1.4408 1.1056 -0.6389 0.093 Uiso 0.50 1 calc PR J 6
H92B H 1.4770 1.1513 -0.6448 0.093 Uiso 0.50 1 calc PR J 6
Cl9 Cl 0.4329(5) 0.2845(5) 0.4776(5) 0.139(3) Uiso 0.50 1 d PD K 7
Cl10 Cl 0.4914(5) 0.2214(5) 0.4210(5) 0.139(3) Uiso 0.50 1 d PD K 7
C93 C 0.4442(15) 0.2175(10) 0.4922(11) 0.139(3) Uiso 0.50 1 d PD K 7
H93M H 0.4089 0.1934 0.5117 0.167 Uiso 0.50 1 calc PR K 7
H93N H 0.4598 0.2014 0.5206 0.167 Uiso 0.50 1 calc PR K 7
Cl11 Cl 0.6729(4) 0.8624(4) 0.1982(4) 0.0301(17) Uiso 0.25 1 d PD L 8
Cl12 Cl 0.7051(4) 0.9772(4) 0.0943(4) 0.0301(17) Uiso 0.25 1 d PD L 8
C94 C 0.687(2) 0.9049(9) 0.1222(11) 0.0301(17) Uiso 0.25 1 d PD L 8
H94M H 0.6545 0.8997 0.1190 0.036 Uiso 0.25 1 calc PR L 8
H94N H 0.7182 0.8937 0.0958 0.036 Uiso 0.25 1 calc PR L 8
Cl13 Cl 1.0472(8) 0.1862(9) 0.5508(9) 0.117(5) Uiso 0.25 1 d PD M 9
Cl14 Cl 0.9358(9) 0.2027(9) 0.6234(9) 0.117(5) Uiso 0.25 1 d PD M 9
C95 C 1.0083(12) 0.227(2) 0.581(3) 0.117(5) Uiso 0.25 1 d PD M 9
H95A H 1.0163 0.2656 0.5472 0.140 Uiso 0.25 1 calc PR M 9
H95B H 1.0201 0.2277 0.6089 0.140 Uiso 0.25 1 calc PR M 9
Cl15 Cl 0.8821(9) 0.0778(9) 0.8064(9) 0.129(5) Uiso 0.25 1 d PD N 10
Cl16 Cl 0.8715(10) 0.1575(9) 0.6879(10) 0.129(5) Uiso 0.25 1 d PD N 10
C96 C 0.848(2) 0.124(3) 0.7695(15) 0.129(5) Uiso 0.25 1 d PD N 10
H97A H 0.8444 0.1538 0.7791 0.155 Uiso 0.25 1 calc PR N 10
H97B H 0.8102 0.1036 0.7907 0.155 Uiso 0.25 1 calc PR N 10
Cl17 Cl 1.0023(5) 0.2536(6) 0.6005(6) 0.054(3) Uiso 0.25 1 d PD O 11
Cl18 Cl 0.9185(7) 0.1661(7) 0.6922(8) 0.085(5) Uiso 0.25 1 d PD O 11
C97 C 0.968(3) 0.196(2) 0.6139(14) 0.15(4) Uiso 0.25 1 d PD O 11
H97C H 0.9929 0.1703 0.6060 0.183 Uiso 0.25 1 calc PR O 11
H97D H 0.9496 0.2072 0.5880 0.183 Uiso 0.25 1 calc PR O 11
C911 C 1.1039(4) 0.3695(4) 0.2857(3) 0.0690(19) Uiso 1 1 d G P 12
H91D H 1.0822 0.3321 0.3162 0.103 Uiso 1 1 calc R P 12
H91E H 1.0793 0.3969 0.2862 0.103 Uiso 1 1 calc R P 12
H91F H 1.1312 0.3754 0.2957 0.103 Uiso 1 1 calc R P 12
C912 C 1.1341(4) 0.3760(3) 0.2209(3) 0.0690(19) Uiso 1 1 d G P 12
H91G H 1.1079 0.3718 0.2083 0.083 Uiso 1 1 calc R P 12
H91H H 1.1603 0.3498 0.2181 0.083 Uiso 1 1 calc R P 12
C913 C 1.1643(3) 0.4367(3) 0.1835(3) 0.0690(19) Uiso 1 1 d G P 12
H91I H 1.1381 0.4632 0.1840 0.083 Uiso 1 1 calc R P 12
H91J H 1.1884 0.4415 0.1982 0.083 Uiso 1 1 calc R P 12
C914 C 1.1978(4) 0.4421(3) 0.1198(3) 0.0690(19) Uiso 1 1 d G P 12
H91K H 1.1737 0.4367 0.1055 0.083 Uiso 1 1 calc R P 12
H91L H 1.2244 0.4160 0.1193 0.083 Uiso 1 1 calc R P 12
C915 C 1.2274(4) 0.5028(4) 0.0819(3) 0.0690(19) Uiso 1 1 d G P 12
H91M H 1.2512 0.5130 0.0387 0.103 Uiso 1 1 calc R P 12
H91N H 1.2499 0.5067 0.0982 0.103 Uiso 1 1 calc R P 12
H91O H 1.1998 0.5273 0.0846 0.103 Uiso 1 1 calc R P 12
C916 C 1.2735(6) 0.5228(7) 0.0830(7) 0.081(5) Uiso 1 1 d . Q 13
C917 C 1.1872(14) 0.5339(15) 0.0587(15) 0.096(11) Uiso 0.50 1 d P R 13
C921 C 0.862(2) 0.132(2) 0.6155(17) 0.073(8) Uiso 0.25 1 d PG S 13
H92G H 0.8577 0.1579 0.5793 0.109 Uiso 0.25 1 calc PR S 13
H92H H 0.8268 0.1062 0.6481 0.109 Uiso 0.25 1 calc PR S 13
H92I H 0.8911 0.1113 0.6043 0.109 Uiso 0.25 1 calc PR S 13
C922 C 0.8763(17) 0.1649(15) 0.6388(12) 0.073(8) Uiso 0.25 1 d PG S 13
h92m H 0.9166 0.1719 0.6229 0.087 Uiso 0.25 1 calc PR S 13
h92n H 0.8623 0.2004 0.6280 0.087 Uiso 0.25 1 calc PR S 13
C923 C 0.8451(13) 0.1234(12) 0.7083(13) 0.073(8) Uiso 0.25 1 d PG S 13
H92C H 0.8587 0.0876 0.7190 0.087 Uiso 0.25 1 calc PR S 13
H92D H 0.8047 0.1168 0.7244 0.087 Uiso 0.25 1 calc PR S 13
C924 C 0.8610(17) 0.1563(16) 0.7309(15) 0.073(8) Uiso 0.25 1 d PG S 13
H92E H 0.9010 0.1606 0.7174 0.087 Uiso 0.25 1 calc PR S 13
H92F H 0.8497 0.1933 0.7177 0.087 Uiso 0.25 1 calc PR S 13
C925 C 0.8258(19) 0.116(2) 0.8010(14) 0.073(8) Uiso 0.25 1 d PG S 13
H92J H 0.8311 0.1313 0.8233 0.109 Uiso 0.25 1 calc PR S 13
H92K H 0.8374 0.0801 0.8120 0.109 Uiso 0.25 1 calc PR S 13
H92L H 0.7867 0.1124 0.8122 0.109 Uiso 0.25 1 calc PR S 13
C931 C 0.5724(8) 0.8585(9) 0.3256(7) 0.069(4) Uiso 0.50 1 d PG T 14
H93G H 0.5673 0.8370 0.3675 0.104 Uiso 0.50 1 calc PR T 14
H93H H 0.5388 0.8502 0.3260 0.104 Uiso 0.50 1 calc PR T 14
H93I H 0.5801 0.8981 0.3104 0.104 Uiso 0.50 1 calc PR T 14
C932 C 0.6216(8) 0.8428(7) 0.2830(6) 0.069(4) Uiso 0.50 1 d PG T 14
H93A H 0.6129 0.8050 0.2920 0.083 Uiso 0.50 1 calc PR T 14
H93B H 0.6555 0.8462 0.2852 0.083 Uiso 0.50 1 calc PR T 14
C933 C 0.6264(6) 0.8882(6) 0.2205(6) 0.069(4) Uiso 0.50 1 d PG T 14
H93C H 0.5936 0.8832 0.2172 0.083 Uiso 0.50 1 calc PR T 14
H93D H 0.6324 0.9260 0.2130 0.083 Uiso 0.50 1 calc PR T 14
C934 C 0.6779(8) 0.8758(8) 0.1774(7) 0.069(4) Uiso 0.50 1 d PG T 14
H93E H 0.6720 0.8377 0.1855 0.083 Uiso 0.50 1 calc PR T 14
H93F H 0.7108 0.8813 0.1804 0.083 Uiso 0.50 1 calc PR T 14
C935 C 0.6826(10) 0.9201(9) 0.1149(6) 0.069(4) Uiso 0.50 1 d PG T 14
H93J H 0.7145 0.9175 0.0816 0.104 Uiso 0.50 1 calc PR T 14
H93K H 0.6872 0.9570 0.1092 0.104 Uiso 0.50 1 calc PR T 14
H93L H 0.6489 0.9139 0.1143 0.104 Uiso 0.50 1 calc PR T 14
C901 C 0.6290(7) 0.3899(8) 0.2276(5) 0.015(2) Uiso 0.40 1 d PGD U 15
H90K H 0.6667 0.4111 0.1986 0.023 Uiso 0.40 1 calc PR U 15
H90L H 0.6025 0.4155 0.2290 0.023 Uiso 0.40 1 calc PR U 15
H90M H 0.6217 0.3666 0.2142 0.023 Uiso 0.40 1 calc PR U 15
C902 C 0.6230(5) 0.3527(6) 0.2925(5) 0.015(2) Uiso 0.40 1 d PGD U 15
H90E H 0.6311 0.3745 0.3074 0.018 Uiso 0.40 1 calc PR U 15
H90F H 0.6465 0.3237 0.2941 0.018 Uiso 0.40 1 calc PR U 15
C903 C 0.5606(4) 0.3281(5) 0.3283(5) 0.015(2) Uiso 0.40 1 d PGD U 15
H90G H 0.5370 0.3567 0.3291 0.018 Uiso 0.40 1 calc PR U 15
H90H H 0.5521 0.3086 0.3113 0.018 Uiso 0.40 1 calc PR U 15
C904 C 0.5552(5) 0.2877(6) 0.3918(5) 0.015(2) Uiso 0.40 1 d PGD U 15
H90I H 0.5643 0.3072 0.4084 0.018 Uiso 0.40 1 calc PR U 15
H90J H 0.5784 0.2588 0.3910 0.018 Uiso 0.40 1 calc PR U 15
C905 C 0.4930(5) 0.2635(7) 0.4282(5) 0.015(2) Uiso 0.40 1 d PGD U 15
H90N H 0.4827 0.2361 0.4711 0.023 Uiso 0.40 1 calc PR U 15
H90O H 0.4854 0.2456 0.4097 0.023 Uiso 0.40 1 calc PR U 15
H90P H 0.4714 0.2934 0.4269 0.023 Uiso 0.40 1 calc PR U 15
C941 C 0.6242(18) 0.4022(18) 0.2157(16) 0.084(7) Uiso 0.35 1 d PD V 16
H94G H 0.6535 0.4111 0.1744 0.125 Uiso 0.35 1 calc PR V 16
H94H H 0.6223 0.4351 0.2197 0.125 Uiso 0.35 1 calc PR V 16
H94I H 0.5887 0.3901 0.2222 0.125 Uiso 0.35 1 calc PR V 16
C942 C 0.6370(14) 0.3562(17) 0.2634(13) 0.084(7) Uiso 0.35 1 d PD V 16
H94A H 0.6484 0.3263 0.2535 0.100 Uiso 0.35 1 calc PR V 16
H94B H 0.6673 0.3706 0.2645 0.100 Uiso 0.35 1 calc PR V 16
C943 C 0.5853(13) 0.3346(18) 0.3240(13) 0.084(7) Uiso 0.35 1 d PD V 16
H94C H 0.5631 0.3636 0.3276 0.100 Uiso 0.35 1 calc PR V 16
H94D H 0.5620 0.3026 0.3346 0.100 Uiso 0.35 1 calc PR V 16
C944 C 0.6157(16) 0.3187(17) 0.3579(15) 0.084(7) Uiso 0.35 1 d PD V 16
H94E H 0.6549 0.3369 0.3285 0.100 Uiso 0.35 1 calc PR V 16
H94F H 0.6147 0.2782 0.3772 0.100 Uiso 0.35 1 calc PR V 16
C945 C 0.5934(17) 0.3340(18) 0.4075(16) 0.084(7) Uiso 0.35 1 d PD V 16
H94J H 0.6049 0.3105 0.4383 0.125 Uiso 0.35 1 calc PR V 16
H94K H 0.5529 0.3283 0.4275 0.125 Uiso 0.35 1 calc PR V 16
H94L H 0.6078 0.3730 0.3890 0.125 Uiso 0.35 1 calc PR V 16

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1A 0.0204(2) 0.0166(2) 0.01635(18) -0.00713(16) -0.00945(17) 0.00327(17)
Au1A 0.0230(2) 0.0166(2) 0.02066(19) -0.01043(17) -0.01204(17) 0.00527(17)
Au2A 0.0270(2) 0.0190(2) 0.0287(2) -0.01084(18) -0.01794(19) 0.00476(18)
P1A 0.0229(15) 0.0199(15) 0.0277(14) -0.0131(12) -0.0145(12) 0.0061(12)
P2A 0.0286(16) 0.0223(16) 0.0376(16) -0.0130(13) -0.0218(14) 0.0036(13)
P3A 0.0219(15) 0.0177(15) 0.0178(12) -0.0074(11) -0.0093(11) 0.0037(12)
P4A 0.0216(15) 0.0224(15) 0.0204(13) -0.0101(12) -0.0094(12) 0.0031(12)
O1A 0.043(5) 0.057(6) 0.068(6) -0.049(5) -0.008(5) 0.013(5)
O2A 0.032(5) 0.070(7) 0.058(6) -0.041(5) -0.002(5) 0.001(5)
O3A 0.105(8) 0.024(5) 0.072(6) -0.014(5) -0.070(6) 0.020(5)
O4A 0.059(6) 0.042(5) 0.048(5) -0.019(4) -0.038(5) 0.016(4)
N1A 0.021(5) 0.007(4) 0.016(4) -0.006(3) -0.010(4) 0.005(3)
N2A 0.038(6) 0.016(5) 0.025(5) -0.013(4) -0.013(4) 0.002(4)
N3A 0.034(5) 0.023(5) 0.019(4) -0.010(4) -0.011(4) -0.002(4)
N4A 0.038(7) 0.033(7) 0.036(6) -0.012(5) -0.012(5) 0.014(5)
N5A 0.023(5) 0.017(5) 0.023(4) -0.008(4) -0.013(4) 0.001(4)
N6A 0.029(5) 0.017(5) 0.030(5) -0.011(4) -0.020(4) 0.001(4)
N7A 0.036(5) 0.015(5) 0.029(5) -0.008(4) -0.020(4) 0.000(4)
N8A 0.047(7) 0.039(7) 0.036(5) -0.022(5) -0.025(5) 0.019(5)
C1A 0.030(6) 0.008(5) 0.024(5) -0.001(4) -0.019(5) 0.005(5)
C2A 0.028(6) 0.011(5) 0.012(5) -0.002(4) -0.011(4) 0.000(4)
C3A 0.037(7) 0.014(6) 0.018(5) 0.000(4) -0.019(5) 0.009(5)
C4A 0.025(6) 0.040(7) 0.025(6) -0.019(5) -0.001(5) -0.003(5)
C5A 0.042(8) 0.031(7) 0.045(7) -0.029(6) -0.013(6) 0.009(6)
C6A 0.018(6) 0.020(6) 0.033(6) -0.017(5) -0.008(5) 0.012(5)
C7A 0.020(6) 0.022(6) 0.031(6) -0.013(5) -0.013(5) 0.006(5)
C8A 0.034(7) 0.027(6) 0.032(6) -0.016(5) -0.026(5) 0.011(5)
C9A 0.019(6) 0.028(6) 0.020(5) -0.014(5) -0.006(4) -0.005(5)
C10A 0.036(6) 0.000(5) 0.025(5) -0.001(4) -0.011(5) -0.006(4)
C11A 0.031(7) 0.027(7) 0.031(6) -0.009(5) -0.015(5) 0.018(5)
C12A 0.037(7) 0.040(8) 0.031(6) -0.014(6) -0.020(6) 0.009(6)
C13A 0.046(7) 0.029(7) 0.041(6) -0.023(6) -0.027(6) 0.018(6)
C14A 0.023(6) 0.030(7) 0.030(6) -0.006(5) -0.018(5) 0.011(5)
C15A 0.014(6) 0.034(7) 0.050(7) -0.033(6) -0.011(5) 0.007(5)
C16A 0.032(7) 0.032(7) 0.034(6) -0.009(5) -0.022(6) 0.004(5)
C17A 0.022(7) 0.039(8) 0.072(9) -0.027(7) -0.027(7) 0.017(6)
C18A 0.018(6) 0.044(8) 0.030(6) -0.013(6) 0.000(5) -0.002(5)
C19A 0.037(8) 0.061(9) 0.030(6) -0.024(6) -0.005(6) 0.010(7)
C20A 0.033(7) 0.067(9) 0.032(6) -0.027(6) -0.018(6) 0.014(6)
C21A 0.031(6) 0.021(6) 0.023(5) -0.019(5) -0.010(5) 0.011(5)
C22A 0.041(7) 0.028(7) 0.056(7) -0.026(6) -0.037(6) 0.015(6)
C23A 0.061(8) 0.015(6) 0.059(8) -0.022(6) -0.040(7) 0.014(6)
C24A 0.087(11) 0.038(8) 0.064(8) -0.037(7) -0.060(8) 0.033(7)
C25A 0.036(7) 0.052(8) 0.037(6) -0.038(6) -0.024(6) 0.030(6)
C26A 0.027(6) 0.041(7) 0.035(6) -0.027(6) -0.016(5) 0.008(5)
C27A 0.021(5) 0.029(6) 0.014(5) -0.016(4) -0.012(4) 0.013(5)
C28A 0.009(5) 0.023(6) 0.013(5) -0.008(4) -0.001(4) 0.004(4)
C29A 0.025(6) 0.022(6) 0.013(5) -0.010(4) -0.005(4) 0.005(5)
C30A 0.026(6) 0.028(6) 0.032(6) -0.015(5) -0.018(5) 0.007(5)
C31A 0.039(7) 0.014(6) 0.032(6) -0.009(5) -0.014(5) 0.003(5)
C32A 0.029(6) 0.033(7) 0.023(5) -0.015(5) -0.016(5) 0.013(5)
C33A 0.029(6) 0.032(7) 0.027(6) -0.012(5) -0.013(5) 0.001(5)
C34A 0.023(6) 0.020(6) 0.028(5) -0.009(5) -0.013(5) 0.005(5)
C35A 0.013(5) 0.033(7) 0.035(6) -0.023(5) -0.008(5) 0.008(5)
C36A 0.044(8) 0.044(8) 0.042(7) -0.021(6) 0.000(6) -0.019(7)
C37A 0.049(10) 0.088(13) 0.067(10) -0.049(9) -0.008(8) 0.007(9)
C38A 0.033(8) 0.069(10) 0.044(8) -0.024(8) -0.008(6) -0.011(7)
C39A 0.033(7) 0.041(8) 0.037(7) -0.011(6) -0.011(6) -0.002(6)
C40A 0.035(7) 0.040(8) 0.044(7) -0.031(6) -0.007(6) 0.009(6)
C41A 0.024(6) 0.033(7) 0.028(5) -0.020(5) -0.017(5) 0.014(5)
C42A 0.031(7) 0.034(7) 0.033(6) -0.016(5) -0.016(5) 0.007(5)
C43A 0.028(6) 0.031(7) 0.039(6) -0.015(6) -0.017(6) 0.008(5)
C44A 0.034(7) 0.054(8) 0.047(7) -0.032(7) -0.030(6) 0.020(6)
C45A 0.037(7) 0.042(7) 0.026(6) -0.017(5) -0.019(5) 0.007(6)
C46A 0.037(7) 0.038(7) 0.040(7) -0.018(6) -0.020(6) -0.006(6)
C47A 0.026(6) 0.022(6) 0.029(6) -0.005(5) -0.017(5) 0.003(5)
C48A 0.047(8) 0.035(7) 0.025(6) -0.010(5) -0.019(6) 0.002(6)
C49A 0.048(8) 0.041(8) 0.048(7) -0.018(6) -0.030(7) 0.020(7)
C50A 0.041(8) 0.029(7) 0.039(7) -0.016(6) -0.014(6) 0.018(6)
C51A 0.043(8) 0.040(8) 0.039(7) -0.028(6) -0.013(6) 0.004(6)
C52A 0.035(7) 0.035(7) 0.064(8) -0.034(6) -0.035(6) 0.014(6)
C53A 0.037(6) 0.013(5) 0.002(4) 0.002(4) -0.009(4) 0.006(5)
C54A 0.027(6) 0.021(6) 0.028(6) -0.005(5) -0.013(5) 0.000(5)
C55A 0.020(6) 0.032(7) 0.029(6) -0.002(5) -0.012(5) 0.005(5)
C56A 0.022(6) 0.045(8) 0.023(6) -0.008(6) -0.003(5) 0.013(6)
C57A 0.044(8) 0.043(8) 0.039(7) -0.021(6) -0.020(6) 0.020(6)
C58A 0.024(6) 0.044(8) 0.022(5) -0.014(5) -0.009(5) 0.009(6)
C59A 0.026(6) 0.018(6) 0.011(5) -0.001(4) -0.005(4) -0.004(5)
C60A 0.041(7) 0.026(7) 0.025(6) -0.014(5) -0.011(5) 0.001(6)
C61A 0.076(10) 0.018(7) 0.029(6) 0.000(5) -0.018(7) 0.001(7)
C62A 0.058(9) 0.030(7) 0.025(6) -0.009(5) -0.004(6) -0.023(6)
C63A 0.038(7) 0.037(8) 0.043(7) -0.018(6) -0.013(6) -0.008(6)
C64A 0.028(6) 0.031(7) 0.029(6) -0.019(5) -0.003(5) -0.007(5)
C65A 0.020(5) 0.013(5) 0.027(5) -0.007(4) -0.016(5) 0.011(4)
C66A 0.028(6) 0.028(6) 0.016(5) -0.009(5) -0.005(5) 0.004(5)
C67A 0.028(6) 0.025(6) 0.052(7) -0.027(6) -0.021(6) 0.018(5)
C68A 0.035(7) 0.056(9) 0.025(6) -0.030(6) -0.013(5) 0.025(6)
C69A 0.024(6) 0.030(7) 0.017(5) -0.008(5) -0.006(5) 0.011(5)
C70A 0.020(6) 0.020(6) 0.027(5) -0.011(5) -0.008(5) 0.008(5)
C71A 0.014(5) 0.019(6) 0.022(5) -0.011(4) -0.003(4) 0.014(4)
C72A 0.030(7) 0.034(7) 0.029(6) -0.008(5) -0.016(5) 0.010(6)
C73A 0.026(6) 0.028(7) 0.029(6) -0.009(5) -0.002(5) 0.008(5)
C74A 0.024(7) 0.040(8) 0.011(5) 0.009(5) 0.001(5) 0.012(6)
C75A 0.028(7) 0.046(8) 0.028(6) -0.017(6) -0.009(5) 0.024(6)
C76A 0.014(5) 0.029(6) 0.026(5) -0.015(5) -0.007(4) 0.014(5)
C77A 0.025(6) 0.020(6) 0.025(5) -0.014(5) -0.013(5) 0.012(5)
C78A 0.029(6) 0.030(7) 0.031(6) -0.013(5) -0.019(5) 0.014(5)
C79A 0.022(6) 0.030(7) 0.056(7) -0.018(6) -0.015(6) 0.004(5)
C80A 0.031(7) 0.035(7) 0.043(7) -0.015(6) -0.020(6) 0.016(6)
C81A 0.043(8) 0.036(7) 0.037(6) -0.013(6) -0.024(6) 0.014(6)
C82A 0.024(6) 0.030(7) 0.054(7) -0.033(6) -0.021(6) 0.015(5)
C83A 0.040(7) 0.013(5) 0.021(5) -0.003(4) -0.016(5) -0.003(5)
C84A 0.017(6) 0.045(7) 0.024(5) -0.019(5) -0.011(5) 0.012(5)
C85A 0.045(8) 0.031(7) 0.032(6) -0.011(5) -0.023(6) -0.002(6)
C86A 0.060(9) 0.033(8) 0.054(8) -0.026(7) -0.021(7) -0.006(7)
C87A 0.052(9) 0.056(9) 0.056(8) -0.043(7) -0.009(7) -0.005(7)
C88A 0.030(7) 0.036(7) 0.039(6) -0.028(6) -0.008(5) 0.009(6)
Pt1B 0.0195(2) 0.0185(2) 0.01782(19) -0.00793(17) -0.00910(17) 0.00480(17)
Au1B 0.0242(2) 0.0231(2) 0.0243(2) -0.01306(18) -0.01449(18) 0.00727(18)
Au2B 0.0239(2) 0.0313(3) 0.0297(2) -0.0189(2) -0.01177(19) 0.00742(19)
P1B 0.0245(15) 0.0221(16) 0.0328(15) -0.0154(13) -0.0177(13) 0.0083(12)
P2B 0.0261(16) 0.0374(19) 0.0402(17) -0.0268(15) -0.0149(14) 0.0132(14)
P3B 0.0225(15) 0.0212(15) 0.0215(13) -0.0107(12) -0.0113(12) 0.0075(12)
P4B 0.0257(15) 0.0210(15) 0.0194(13) -0.0088(12) -0.0103(12) 0.0081(12)
O1B 0.148(12) 0.043(7) 0.129(10) 0.026(7) -0.111(9) -0.028(7)
O2B 0.147(11) 0.043(7) 0.132(10) 0.018(6) -0.119(9) -0.010(7)
O3B 0.049(6) 0.067(7) 0.088(7) -0.064(6) -0.007(5) 0.005(5)
N1B 0.013(4) 0.039(6) 0.007(4) -0.003(4) -0.003(3) -0.012(4)
N2B 0.030(5) 0.023(5) 0.024(4) -0.007(4) -0.014(4) 0.004(4)
N3B 0.021(5) 0.032(6) 0.028(5) -0.013(4) -0.014(4) 0.000(4)
N4B 0.108(12) 0.045(9) 0.090(9) 0.005(7) -0.079(9) -0.005(8)
N5B 0.016(4) 0.013(4) 0.013(4) 0.001(3) -0.006(3) 0.009(4)
N6B 0.021(5) 0.027(5) 0.022(4) -0.011(4) -0.011(4) 0.005(4)
N7B 0.029(5) 0.032(6) 0.030(5) -0.021(4) -0.013(4) 0.007(4)
N8B 0.035(8) 0.108(12) 0.123(11) -0.094(10) -0.029(8) 0.034(8)
C1B 0.016(5) 0.007(5) 0.025(5) -0.009(4) -0.006(4) 0.012(4)
C2B 0.018(6) 0.029(6) 0.019(5) -0.010(5) -0.006(4) 0.000(5)
C3B 0.015(5) 0.027(6) 0.020(5) -0.011(5) -0.007(4) 0.010(5)
C4B 0.034(7) 0.036(7) 0.038(6) -0.012(6) -0.021(6) 0.004(6)
C5B 0.052(8) 0.045(8) 0.043(7) -0.011(6) -0.036(7) 0.008(7)
C6B 0.055(8) 0.021(7) 0.036(6) 0.003(5) -0.026(6) 0.005(6)
C7B 0.034(7) 0.031(7) 0.022(5) -0.013(5) -0.012(5) 0.012(5)
C8B 0.021(6) 0.030(6) 0.021(5) -0.012(5) -0.011(5) 0.007(5)
C9B 0.042(7) 0.021(6) 0.031(6) -0.013(5) -0.018(6) -0.001(5)
C10B 0.053(8) 0.030(8) 0.046(7) -0.018(6) -0.018(7) 0.008(6)
C11B 0.079(11) 0.017(7) 0.069(9) -0.022(7) -0.028(8) 0.012(7)
C12B 0.178(19) 0.027(9) 0.042(9) 0.006(7) -0.027(11) 0.019(11)
C13B 0.20(2) 0.038(10) 0.036(8) 0.004(8) -0.015(11) 0.008(12)
C14B 0.143(15) 0.024(8) 0.040(8) -0.009(6) -0.036(9) 0.031(9)
C15B 0.031(6) 0.019(6) 0.014(5) 0.002(4) -0.014(5) 0.005(5)
C16B 0.043(7) 0.027(7) 0.030(6) -0.002(5) -0.023(6) -0.007(6)
C17B 0.025(7) 0.044(8) 0.027(6) -0.008(6) -0.014(5) 0.003(6)
C18B 0.048(8) 0.069(10) 0.026(6) -0.032(7) -0.022(6) 0.028(7)
C19B 0.052(8) 0.051(8) 0.038(7) -0.029(6) -0.034(6) 0.024(7)
C20B 0.042(7) 0.022(6) 0.016(5) -0.003(4) -0.021(5) 0.001(5)
C21B 0.026(6) 0.029(6) 0.022(5) -0.012(5) -0.015(5) 0.003(5)
C22B 0.022(6) 0.047(8) 0.031(6) -0.020(6) -0.005(5) 0.002(6)
C23B 0.036(7) 0.049(8) 0.045(7) -0.029(6) -0.018(6) 0.021(6)
C24B 0.051(8) 0.039(8) 0.041(7) -0.030(6) -0.021(6) 0.013(6)
C25B 0.054(8) 0.054(9) 0.047(7) -0.034(7) -0.035(7) 0.022(7)
C26B 0.034(7) 0.032(7) 0.044(7) -0.024(6) -0.023(6) 0.012(5)
C27B 0.018(5) 0.013(5) 0.003(4) -0.002(4) 0.001(4) 0.004(4)
C28B 0.035(7) 0.019(6) 0.015(5) -0.004(4) -0.014(5) 0.004(5)
C29B 0.027(6) 0.030(7) 0.017(5) -0.007(5) -0.010(5) 0.003(5)
C30B 0.032(7) 0.063(9) 0.053(7) -0.040(7) -0.021(6) 0.012(7)
C31B 0.027(7) 0.072(10) 0.061(8) -0.052(8) -0.015(6) 0.019(7)
C32B 0.033(7) 0.038(8) 0.043(7) -0.028(6) -0.008(6) 0.013(6)
C33B 0.030(7) 0.035(7) 0.029(6) -0.017(5) -0.006(5) 0.005(6)
C34B 0.026(6) 0.045(8) 0.023(6) -0.025(5) -0.001(5) 0.009(6)
C35B 0.034(7) 0.039(8) 0.051(7) -0.030(6) -0.025(6) 0.018(6)
C36B 0.040(8) 0.052(9) 0.049(7) -0.029(7) -0.014(6) -0.006(7)
C37B 0.050(9) 0.051(9) 0.060(8) -0.032(7) -0.030(7) 0.034(7)
C38B 0.039(8) 0.064(11) 0.065(9) -0.032(8) -0.029(7) 0.023(7)
C39B 0.038(8) 0.062(10) 0.061(8) -0.031(8) -0.027(7) 0.006(7)
C40B 0.047(8) 0.054(9) 0.066(9) -0.035(7) -0.035(7) 0.012(7)
C41B 0.036(7) 0.050(8) 0.053(8) -0.041(7) -0.026(6) 0.020(6)
C42B 0.061(9) 0.053(9) 0.056(8) -0.045(8) -0.025(8) 0.016(7)
C43B 0.059(10) 0.076(12) 0.068(10) -0.044(9) -0.010(8) 0.007(9)
C44B 0.132(16) 0.078(13) 0.087(12) -0.068(11) -0.058(12) 0.062(12)
C45B 0.162(18) 0.060(11) 0.093(13) -0.058(11) -0.074(13) 0.064(12)
C46B 0.088(11) 0.058(10) 0.048(8) -0.040(8) -0.035(8) 0.033(9)
C47B 0.029(7) 0.055(9) 0.065(8) -0.040(7) -0.026(7) 0.008(6)
C48B 0.051(9) 0.055(9) 0.045(7) -0.013(7) -0.025(7) 0.000(7)
C49B 0.069(11) 0.067(11) 0.080(11) -0.030(9) -0.041(9) -0.004(9)
C50B 0.051(9) 0.037(8) 0.070(9) -0.026(7) -0.023(8) 0.007(7)
C51B 0.046(9) 0.058(10) 0.067(9) -0.031(8) -0.024(8) 0.015(8)
C52B 0.036(8) 0.055(9) 0.056(8) -0.034(7) -0.021(7) 0.022(7)
C53B 0.015(5) 0.023(6) 0.019(5) -0.007(5) -0.002(4) 0.004(5)
C54B 0.027(6) 0.026(7) 0.042(6) -0.016(5) -0.021(5) 0.007(5)
C55B 0.041(8) 0.031(7) 0.062(8) -0.029(6) -0.024(7) 0.009(6)
C56B 0.052(8) 0.018(7) 0.048(7) -0.011(6) -0.022(7) 0.014(6)
C57B 0.065(9) 0.042(8) 0.049(7) -0.019(6) -0.044(7) 0.026(7)
C58B 0.049(8) 0.031(7) 0.051(7) -0.021(6) -0.032(7) 0.018(6)
C59B 0.031(6) 0.029(6) 0.020(5) -0.012(5) -0.014(5) 0.014(5)
C60B 0.045(8) 0.041(7) 0.024(6) -0.022(5) -0.013(6) 0.012(6)
C61B 0.021(6) 0.070(10) 0.035(7) -0.026(7) -0.009(5) 0.003(6)
C62B 0.038(7) 0.038(7) 0.042(7) -0.024(6) -0.020(6) 0.005(6)
C63B 0.036(7) 0.034(7) 0.050(7) -0.027(6) -0.025(6) 0.015(6)
C64B 0.021(6) 0.028(6) 0.037(6) -0.018(5) -0.016(5) 0.009(5)
C65B 0.033(7) 0.025(6) 0.026(6) -0.016(5) -0.015(5) 0.015(5)
C66B 0.051(8) 0.020(6) 0.020(5) -0.006(5) -0.021(5) 0.012(5)
C67B 0.058(9) 0.037(8) 0.032(6) -0.016(6) -0.016(6) 0.025(7)
C68B 0.068(10) 0.056(9) 0.043(8) -0.033(7) -0.036(8) 0.037(8)
C69B 0.051(8) 0.059(9) 0.049(7) -0.042(7) -0.040(7) 0.033(7)
C70B 0.025(6) 0.033(7) 0.042(6) -0.026(6) -0.019(5) 0.018(5)
C71B 0.030(6) 0.016(6) 0.012(5) -0.002(4) 0.001(5) 0.011(5)
C72B 0.036(7) 0.024(7) 0.037(6) -0.004(5) -0.016(6) 0.001(6)
C73B 0.026(7) 0.044(8) 0.050(8) -0.015(7) 0.002(6) -0.011(6)
C74B 0.033(8) 0.028(7) 0.041(8) -0.001(6) -0.004(6) 0.008(6)
C75B 0.049(9) 0.036(8) 0.029(7) -0.007(6) -0.004(6) 0.032(7)
C76B 0.037(7) 0.037(7) 0.029(6) -0.006(5) -0.015(6) 0.024(6)
C77B 0.024(6) 0.021(6) 0.015(5) -0.007(4) -0.005(4) 0.008(5)
C78B 0.028(7) 0.022(7) 0.053(7) -0.015(6) -0.006(6) 0.006(6)
C79B 0.041(8) 0.040(9) 0.075(9) -0.035(8) -0.010(7) 0.003(7)
C80B 0.057(9) 0.036(8) 0.050(7) -0.023(6) -0.032(7) 0.022(7)
C81B 0.029(7) 0.026(7) 0.032(6) -0.015(5) -0.007(5) 0.012(6)
C82B 0.032(7) 0.027(7) 0.029(6) -0.012(5) -0.017(5) 0.006(5)
C83B 0.018(6) 0.029(6) 0.026(5) -0.019(5) -0.008(5) 0.022(5)
C84B 0.036(7) 0.041(7) 0.026(6) -0.021(5) -0.016(5) 0.021(6)
C85B 0.040(8) 0.059(9) 0.043(7) -0.037(7) -0.029(6) 0.039(7)
C86B 0.030(7) 0.072(10) 0.042(7) -0.039(7) -0.023(6) 0.017(7)
C87B 0.036(7) 0.034(7) 0.042(7) -0.022(6) -0.021(6) 0.021(6)
C88B 0.028(6) 0.032(7) 0.028(6) -0.022(5) -0.019(5) 0.020(5)
Pt1C 0.0268(2) 0.0163(2) 0.0205(2) -0.00503(17) -0.00958(18) 0.00357(18)
Au1C 0.0284(2) 0.0228(2) 0.0410(2) -0.0122(2) -0.0194(2) 0.0041(2)
Au2C 0.0321(3) 0.0224(2) 0.0249(2) -0.01080(18) -0.01061(19) -0.00159(19)
P1C 0.042(2) 0.0305(19) 0.0448(18) -0.0123(15) -0.0275(16) -0.0015(15)
P2C 0.0433(19) 0.0239(17) 0.0323(16) -0.0114(13) -0.0201(15) -0.0001(14)
P3C 0.0287(16) 0.0225(16) 0.0223(14) -0.0042(12) -0.0085(13) 0.0078(13)
O1C 0.045(6) 0.127(10) 0.099(8) -0.093(8) -0.002(6) -0.007(6)
O2C 0.028(5) 0.087(8) 0.130(9) -0.087(7) -0.015(6) 0.009(5)
O3C 0.121(9) 0.034(6) 0.113(8) -0.033(6) -0.098(7) 0.036(6)
O4C 0.063(6) 0.056(6) 0.053(5) -0.032(5) -0.043(5) 0.026(5)
N1C 0.020(5) 0.011(5) 0.026(4) -0.003(4) -0.012(4) 0.006(4)
N2C 0.023(5) 0.027(6) 0.029(5) -0.005(4) -0.010(4) -0.002(4)
N3C 0.034(6) 0.033(6) 0.027(5) -0.014(4) -0.010(5) -0.002(5)
N4C 0.034(6) 0.044(7) 0.060(7) -0.033(6) -0.016(6) 0.003(5)
N5C 0.020(5) 0.023(5) 0.025(4) -0.012(4) -0.006(4) 0.008(4)
N6C 0.055(6) 0.021(5) 0.037(5) -0.011(4) -0.032(5) 0.007(5)
N7C 0.054(6) 0.019(5) 0.045(5) -0.015(4) -0.041(5) 0.014(5)
N8C 0.049(7) 0.045(7) 0.041(6) -0.021(5) -0.032(5) 0.016(6)
C1C 0.034(7) 0.022(6) 0.021(5) -0.001(5) -0.020(5) 0.011(5)
C2C 0.019(6) 0.021(6) 0.022(5) -0.003(5) -0.010(5) 0.001(5)
C3C 0.033(7) 0.032(7) 0.021(5) -0.001(5) -0.014(5) -0.001(6)
C4C 0.028(8) 0.161(17) 0.085(11) -0.106(12) 0.005(7) -0.008(9)
C5C 0.033(8) 0.186(19) 0.099(12) -0.126(13) 0.007(8) -0.022(10)
C6C 0.022(6) 0.060(9) 0.020(5) -0.024(6) -0.003(5) 0.000(6)
C7C 0.019(6) 0.034(8) 0.068(8) -0.031(7) -0.014(6) 0.011(6)
C8C 0.032(7) 0.017(6) 0.073(8) -0.027(6) -0.024(7) 0.007(5)
C9C 0.029(7) 0.039(7) 0.030(6) -0.018(5) -0.012(5) 0.002(6)
C10C 0.057(9) 0.033(7) 0.052(7) -0.023(6) -0.037(7) 0.012(7)
C11C 0.055(8) 0.038(8) 0.030(6) -0.013(6) -0.026(6) 0.005(7)
C12C 0.039(8) 0.030(7) 0.032(6) -0.018(5) -0.004(6) 0.003(6)
C13C 0.049(9) 0.082(12) 0.087(11) -0.079(10) -0.005(8) 0.011(9)
C14C 0.034(8) 0.097(12) 0.071(9) -0.061(9) -0.017(7) -0.006(8)
C15C 0.031(6) 0.027(7) 0.045(7) -0.020(6) -0.025(6) 0.005(5)
C16C 0.026(7) 0.053(9) 0.059(8) -0.033(7) -0.017(6) 0.018(6)
C17C 0.054(9) 0.055(9) 0.047(8) -0.036(7) -0.019(7) 0.013(8)
C18C 0.032(8) 0.066(10) 0.039(7) -0.018(7) -0.014(6) -0.013(7)
C19C 0.036(9) 0.117(15) 0.062(9) -0.027(10) -0.034(8) 0.021(9)
C20C 0.043(9) 0.062(11) 0.089(11) 0.015(8) -0.052(9) -0.005(8)
C27C 0.029(6) 0.012(5) 0.017(5) 0.002(4) -0.013(5) 0.007(5)
C28C 0.027(6) 0.024(6) 0.027(5) -0.012(5) -0.019(5) 0.009(5)
C29C 0.035(6) 0.021(6) 0.023(5) -0.012(5) -0.019(5) 0.007(5)
C30C 0.051(8) 0.022(6) 0.039(6) -0.008(5) -0.031(6) 0.009(6)
C31C 0.036(7) 0.033(8) 0.050(7) -0.005(6) -0.028(6) -0.007(6)
C32C 0.022(6) 0.045(8) 0.022(5) -0.018(5) -0.011(5) 0.016(5)
C33C 0.083(10) 0.035(8) 0.065(8) -0.031(7) -0.056(8) 0.025(7)
C34C 0.074(9) 0.041(8) 0.055(8) -0.029(6) -0.051(7) 0.017(7)
C35C 0.034(7) 0.024(6) 0.042(7) -0.014(5) -0.024(6) 0.007(5)
C36C 0.036(7) 0.062(9) 0.051(7) -0.039(7) -0.031(6) 0.019(7)
C37C 0.050(8) 0.046(8) 0.061(8) -0.028(7) -0.042(7) 0.018(7)
C38C 0.046(8) 0.032(7) 0.034(7) -0.008(6) -0.021(6) 0.014(6)
C39C 0.138(16) 0.112(15) 0.046(9) -0.045(10) -0.049(10) 0.064(13)
C40C 0.131(14) 0.070(11) 0.042(8) -0.038(8) -0.047(9) 0.075(10)
C41C 0.039(7) 0.052(8) 0.033(6) -0.023(6) -0.015(6) -0.007(6)
C42C 0.121(17) 0.21(2) 0.095(13) 0.092(14) -0.080(14) -0.121(17)
C43C 0.079(15) 0.19(3) 0.108(16) 0.010(16) -0.045(13) -0.052(15)
C44C 0.088(14) 0.125(17) 0.052(10) 0.006(10) -0.007(10) -0.070(12)
C45C 0.105(14) 0.103(14) 0.042(9) -0.018(9) -0.035(10) -0.005(12)
C46C 0.042(9) 0.091(13) 0.031(7) 0.008(7) -0.004(7) -0.017(8)
C47C 0.065(9) 0.026(7) 0.030(6) -0.010(5) -0.031(6) 0.004(6)
C48C 0.067(9) 0.038(8) 0.047(7) -0.018(6) -0.034(7) 0.001(7)
C49C 0.088(12) 0.030(8) 0.069(9) -0.029(7) -0.053(9) 0.027(8)
C50C 0.074(11) 0.069(11) 0.096(11) -0.059(10) -0.062(10) 0.052(9)
C51C 0.073(11) 0.068(11) 0.121(13) -0.068(11) -0.066(11) 0.034(9)
C52C 0.051(9) 0.036(8) 0.081(9) -0.036(7) -0.047(8) 0.016(7)
C53C 0.034(7) 0.010(6) 0.033(6) -0.001(5) -0.006(5) 0.002(5)
C54C 0.056(9) 0.018(7) 0.075(9) -0.009(6) -0.043(8) 0.005(6)
C55C 0.103(13) 0.039(9) 0.076(10) 0.000(8) -0.062(10) -0.012(9)
C56C 0.093(12) 0.036(9) 0.064(9) -0.013(8) -0.028(9) -0.021(8)
C57C 0.116(13) 0.018(7) 0.040(7) -0.002(6) -0.034(9) -0.009(8)
C58C 0.054(9) 0.036(8) 0.035(7) -0.007(6) -0.013(6) 0.002(7)
C59C 0.026(7) 0.054(9) 0.035(7) -0.007(6) -0.005(6) 0.021(6)
C60C 0.055(9) 0.078(11) 0.025(6) -0.023(7) -0.006(6) 0.034(8)
C61C 0.074(13) 0.117(16) 0.053(10) -0.013(10) -0.015(10) 0.074(12)
C62C 0.062(13) 0.14(2) 0.031(9) 0.005(10) 0.004(9) 0.058(13)
C63C 0.023(9) 0.090(15) 0.097(14) 0.021(11) -0.026(10) 0.004(9)
C64C 0.044(9) 0.048(10) 0.068(9) 0.007(7) -0.030(8) 0.004(7)
C65C 0.043(8) 0.036(8) 0.026(6) -0.014(6) -0.011(6) 0.019(6)
C66C 0.039(8) 0.056(9) 0.030(6) -0.018(6) -0.009(6) 0.024(7)
C67C 0.096(12) 0.053(10) 0.031(7) -0.016(7) -0.031(8) 0.026(9)
C68C 0.18(2) 0.083(14) 0.065(11) -0.046(10) -0.087(13) 0.064(14)
C69C 0.19(2) 0.062(12) 0.074(11) -0.032(9) -0.089(13) 0.026(12)
C70C 0.101(12) 0.050(9) 0.031(7) -0.012(7) -0.045(8) 0.029(9)
C71C 0.035(7) 0.017(6) 0.030(6) -0.009(5) -0.013(5) 0.002(5)
C72C 0.048(8) 0.047(9) 0.048(7) -0.010(6) -0.036(7) 0.016(7)
C73C 0.034(8) 0.064(10) 0.044(8) 0.004(7) -0.014(7) -0.003(7)
C74C 0.029(8) 0.151(18) 0.022(7) -0.023(9) -0.012(6) 0.001(10)
C75C 0.046(10) 0.094(14) 0.059(9) -0.036(10) -0.020(8) -0.010(9)
C76C 0.043(8) 0.039(8) 0.053(8) -0.023(7) -0.010(7) -0.008(7)
Pt1D 0.0202(2) 0.0153(2) 0.01586(18) -0.00521(16) -0.00904(17) 0.00334(17)
Au1D 0.0238(2) 0.0208(2) 0.01982(19) -0.01054(17) -0.00984(18) 0.00295(18)
Au2D 0.0635(3) 0.0191(2) 0.0381(2) -0.0128(2) -0.0375(2) 0.0105(2)
P1D 0.0217(15) 0.0211(15) 0.0202(13) -0.0128(12) -0.0082(12) 0.0068(12)
P2D 0.084(3) 0.0208(18) 0.0406(18) -0.0039(14) -0.0427(19) -0.0057(18)
P3D 0.0209(14) 0.0163(14) 0.0169(12) -0.0048(11) -0.0084(11) 0.0026(11)
P4D 0.0241(15) 0.0192(15) 0.0184(13) -0.0076(11) -0.0110(12) 0.0059(12)
N1D 0.010(4) 0.010(4) 0.013(4) 0.007(3) -0.004(3) -0.002(3)
N2D 0.021(5) 0.023(5) 0.014(4) -0.005(4) -0.009(4) 0.001(4)
N3D 0.029(5) 0.019(5) 0.021(4) -0.010(4) -0.010(4) 0.005(4)
N4D 0.061(9) 0.060(8) 0.075(8) -0.049(7) -0.035(8) 0.027(7)
N5D 0.034(5) 0.019(5) 0.024(4) -0.002(4) -0.018(4) 0.000(4)
N6D 0.040(6) 0.027(5) 0.027(5) -0.011(4) -0.021(4) 0.010(4)
N7D 0.033(5) 0.026(5) 0.031(5) -0.006(4) -0.025(4) 0.008(4)
N8D 0.066(7) 0.026(6) 0.029(5) -0.009(5) -0.029(6) 0.008(5)
C1D 0.015(5) 0.007(5) 0.018(5) -0.005(4) -0.002(4) 0.011(4)
C2D 0.025(6) 0.013(5) 0.011(4) -0.005(4) -0.008(4) 0.002(4)
C3D 0.023(6) 0.024(6) 0.029(6) -0.013(5) -0.009(5) 0.009(5)
C4D 0.050(9) 0.086(11) 0.083(10) -0.069(9) -0.043(8) 0.032(8)
C5D 0.046(9) 0.110(13) 0.099(11) -0.089(11) -0.041(9) 0.049(9)
C6D 0.052(8) 0.043(8) 0.038(7) -0.033(6) -0.018(6) 0.026(7)
C7D 0.042(8) 0.033(7) 0.027(6) -0.015(5) -0.008(6) 0.002(6)
C8D 0.026(6) 0.044(7) 0.025(6) -0.023(5) -0.003(5) 0.009(5)
C9D 0.033(6) 0.028(7) 0.030(6) -0.015(5) -0.018(5) 0.005(5)
C10D 0.037(7) 0.028(7) 0.029(6) -0.015(5) -0.020(5) 0.014(5)
C11D 0.068(9) 0.038(7) 0.029(6) -0.023(6) -0.031(6) 0.023(7)
C12D 0.040(7) 0.052(8) 0.037(7) -0.034(6) -0.018(6) 0.013(6)
C13D 0.034(7) 0.073(10) 0.036(7) -0.032(7) -0.002(6) -0.012(7)
C14D 0.030(7) 0.052(8) 0.028(6) -0.025(6) 0.000(5) -0.013(6)
C15D 0.029(6) 0.034(7) 0.021(5) -0.016(5) -0.013(5) 0.003(5)
C16D 0.037(7) 0.028(7) 0.026(6) -0.015(5) -0.014(5) 0.002(5)
C17D 0.053(8) 0.035(7) 0.040(7) -0.018(6) -0.033(6) 0.011(6)
C18D 0.033(7) 0.023(7) 0.037(6) -0.008(5) -0.015(6) 0.006(5)
C19D 0.041(7) 0.030(7) 0.041(6) -0.023(6) -0.022(6) 0.020(6)
C20D 0.030(6) 0.037(7) 0.045(7) -0.026(6) -0.026(6) 0.016(6)
C21D 0.020(6) 0.014(5) 0.028(5) -0.017(5) -0.003(5) 0.008(4)
C22D 0.027(6) 0.029(6) 0.027(6) -0.014(5) -0.012(5) 0.008(5)
C23D 0.033(7) 0.021(6) 0.030(6) -0.012(5) -0.006(5) 0.004(5)
C24D 0.055(9) 0.031(7) 0.036(7) -0.027(6) -0.012(6) 0.014(6)
C25D 0.042(8) 0.038(7) 0.025(6) -0.012(5) -0.015(6) 0.000(6)
C26D 0.037(7) 0.025(6) 0.025(5) -0.012(5) -0.016(5) 0.004(5)
C27D 0.023(6) 0.018(6) 0.047(6) -0.023(5) -0.024(5) 0.011(5)
C28D 0.030(6) 0.013(5) 0.011(4) -0.001(4) -0.014(4) 0.005(5)
C29D 0.027(6) 0.045(8) 0.039(6) -0.026(6) -0.029(5) 0.021(5)
C30D 0.065(8) 0.032(7) 0.032(6) -0.020(6) -0.034(6) 0.023(6)
C31D 0.073(9) 0.017(6) 0.047(7) -0.017(5) -0.045(7) 0.019(6)
C32D 0.028(6) 0.024(6) 0.027(6) -0.006(5) -0.018(5) 0.002(5)
C33D 0.064(9) 0.043(8) 0.019(5) -0.011(5) -0.026(6) 0.004(7)
C34D 0.067(9) 0.016(6) 0.041(6) -0.011(5) -0.038(6) 0.009(6)
C41D 0.056(8) 0.020(6) 0.037(6) -0.014(5) -0.027(6) 0.002(6)
C42D 0.024(7) 0.041(8) 0.050(8) 0.004(6) -0.020(6) -0.001(6)
C43D 0.047(9) 0.058(10) 0.058(9) -0.011(8) -0.011(8) 0.029(8)
C44D 0.060(10) 0.063(10) 0.054(9) -0.039(8) -0.006(8) 0.015(8)
C45D 0.054(9) 0.126(15) 0.066(9) -0.074(10) -0.032(8) 0.034(10)
C46D 0.060(9) 0.070(10) 0.056(8) -0.052(7) -0.042(7) 0.041(7)
C47D 0.065(9) 0.039(8) 0.026(6) -0.015(6) -0.002(6) -0.035(7)
C48D 0.077(11) 0.063(10) 0.036(7) -0.011(7) -0.022(8) -0.033(9)
C49D 0.055(10) 0.104(15) 0.040(8) -0.035(9) -0.008(8) -0.024(10)
C50D 0.032(8) 0.102(13) 0.058(9) -0.050(9) -0.006(7) -0.004(8)
C51D 0.043(8) 0.079(11) 0.027(6) -0.030(7) 0.004(6) -0.031(8)
C52D 0.039(8) 0.053(9) 0.018(6) -0.012(6) -0.004(6) -0.010(7)
C53D 0.026(6) 0.018(6) 0.019(5) -0.006(4) -0.014(5) 0.004(5)
C54D 0.029(6) 0.023(6) 0.013(5) -0.008(4) -0.010(5) 0.005(5)
C55D 0.036(7) 0.034(7) 0.032(6) -0.019(5) -0.011(6) 0.000(6)
C56D 0.025(6) 0.050(8) 0.021(5) -0.019(5) -0.012(5) 0.009(6)
C57D 0.022(6) 0.031(7) 0.032(6) -0.019(5) -0.018(5) 0.016(5)
C58D 0.019(6) 0.025(6) 0.020(5) -0.012(5) -0.004(4) 0.009(5)
C59D 0.023(6) 0.014(5) 0.014(5) -0.001(4) -0.010(4) 0.008(4)
C60D 0.018(6) 0.021(6) 0.027(5) -0.012(5) -0.012(5) 0.010(4)
C61D 0.037(7) 0.028(7) 0.016(5) -0.005(5) -0.012(5) 0.017(6)
C62D 0.034(7) 0.014(6) 0.015(5) 0.001(4) -0.004(5) 0.008(5)
C63D 0.022(6) 0.009(6) 0.042(7) -0.002(5) -0.011(5) 0.008(5)
C64D 0.049(8) 0.013(6) 0.027(6) -0.004(5) -0.020(6) 0.009(5)
C65D 0.024(6) 0.019(6) 0.020(5) -0.004(4) -0.013(5) -0.003(5)
C66D 0.016(5) 0.032(7) 0.010(5) -0.003(4) -0.003(4) -0.003(5)
C67D 0.029(6) 0.030(7) 0.035(6) -0.025(5) -0.013(5) 0.022(5)
C68D 0.030(7) 0.029(7) 0.053(7) -0.029(6) -0.017(6) 0.014(6)
C69D 0.031(7) 0.023(6) 0.037(6) -0.016(5) -0.010(5) 0.007(5)
C70D 0.025(6) 0.033(7) 0.027(6) -0.015(5) -0.006(5) 0.001(5)
C71D 0.016(5) 0.016(5) 0.015(5) -0.012(4) -0.001(4) 0.012(4)
C72D 0.049(7) 0.028(7) 0.027(6) -0.012(5) -0.026(6) 0.017(6)
C73D 0.060(8) 0.020(6) 0.035(6) -0.016(5) -0.023(6) 0.015(6)
C74D 0.041(8) 0.042(8) 0.034(7) -0.008(6) -0.016(6) 0.024(6)
C75D 0.043(8) 0.032(8) 0.043(7) 0.002(6) -0.027(6) 0.003(6)
C76D 0.030(6) 0.029(7) 0.034(6) -0.007(5) -0.020(5) 0.002(5)
C77D 0.026(6) 0.012(5) 0.028(5) -0.009(4) -0.018(5) 0.007(5)
C78D 0.032(6) 0.013(6) 0.023(5) -0.006(4) -0.013(5) 0.012(5)
C79D 0.036(7) 0.027(7) 0.039(7) -0.017(5) -0.021(6) 0.009(5)
C80D 0.041(7) 0.028(7) 0.029(6) -0.013(5) -0.019(6) 0.006(6)
C81D 0.041(7) 0.030(7) 0.021(5) -0.012(5) -0.019(5) 0.013(6)
C82D 0.027(6) 0.020(6) 0.028(6) -0.010(5) -0.016(5) 0.008(5)
C83D 0.017(5) 0.021(6) 0.013(5) -0.001(4) -0.009(4) 0.007(4)
C84D 0.024(6) 0.040(7) 0.021(5) -0.018(5) -0.009(5) 0.008(5)
C85D 0.017(6) 0.046(7) 0.030(6) -0.023(6) -0.008(5) 0.010(5)
C86D 0.021(6) 0.059(9) 0.037(6) -0.030(6) -0.012(5) -0.002(6)
C87D 0.042(7) 0.029(7) 0.047(7) -0.028(6) -0.023(6) 0.014(6)
C88D 0.020(6) 0.041(7) 0.029(6) -0.020(6) -0.002(5) 0.006(5)
Cl1 0.050(2) 0.069(3) 0.0478(18) -0.0291(18) -0.0143(17) 0.0138(19)
Cl2 0.079(3) 0.067(3) 0.065(2) -0.039(2) -0.040(2) 0.027(2)
C89 0.059(10) 0.062(10) 0.084(10) -0.028(8) -0.047(9) 0.012(8)
Cl3 0.031(6) 0.044(6) 0.030(4) -0.017(4) -0.020(4) 0.004(5)
Cl4 0.073(14) 0.054(14) 0.076(11) -0.025(10) -0.035(10) 0.021(10)
Cl3' 0.064(11) 0.131(19) 0.085(13) -0.091(13) -0.037(10) 0.059(11)
Cl4' 0.033(7) 0.021(8) 0.009(5) -0.004(5) -0.010(5) 0.006(5)
Cl5 0.050(5) 0.042(4) 0.083(5) -0.030(4) -0.048(4) 0.013(4)
Cl6 0.054(4) 0.045(4) 0.057(4) -0.027(4) -0.014(4) 0.000(3)
C91 0.044(17) 0.07(2) 0.07(2) -0.06(2) -0.049(17) 0.029(18)
Cl7 0.067(6) 0.074(7) 0.056(5) -0.015(5) -0.029(5) -0.003(5)
Cl8 0.068(5) 0.059(5) 0.050(4) -0.027(4) -0.019(4) -0.003(4)
C92 0.11(3) 0.07(3) 0.021(15) -0.022(18) -0.006(17) -0.03(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
Pt1A N1A 2.040(7) . ?
Pt1A N5A 2.073(7) . ?
Pt1A P3A 2.278(3) . ?
Pt1A P4A 2.286(3) . ?
Au1A C1A 2.036(10) . ?
Au1A P1A 2.288(3) . ?
Au2A C27A 2.020(10) . ?
Au2A P2A 2.283(3) . ?
P1A C9A 1.817(9) . ?
P1A C15A 1.819(10) . ?
P1A C21A 1.821(10) . ?
P2A C35A 1.794(10) . ?
P2A C47A 1.804(11) . ?
P2A C41A 1.827(9) . ?
P3A C59A 1.812(10) . ?
P3A C65A 1.820(10) . ?
P3A C53A 1.853(10) . ?
P4A C83A 1.806(10) . ?
P4A C71A 1.829(9) . ?
P4A C77A 1.836(10) . ?
O1A N4A 1.278(12) . ?
O2A N4A 1.208(11) . ?
O3A N8A 1.228(11) . ?
O4A N8A 1.235(11) . ?
N1A C1A 1.345(11) . ?
N1A N2A 1.363(10) . ?
N2A N3A 1.316(10) . ?
N3A C2A 1.352(11) . ?
N4A C6A 1.450(13) . ?
N5A C27A 1.324(11) . ?
N5A N6A 1.335(10) . ?
N6A N7A 1.315(10) . ?
N7A C28A 1.356(12) . ?
N8A C32A 1.476(12) . ?
C1A C2A 1.399(13) . ?
C2A C3A 1.473(13) . ?
C3A C8A 1.401(13) . ?
C3A C4A 1.402(14) . ?
C4A C5A 1.368(13) . ?
C4A H4AA 0.9500 . ?
C5A C6A 1.385(14) . ?
C5A H5AA 0.9500 . ?
C6A C7A 1.376(13) . ?
C7A C8A 1.372(13) . ?
C7A H7AA 0.9500 . ?
C8A H8AA 0.9500 . ?
C9A C14A 1.381(14) . ?
C9A C10A 1.417(13) . ?
C10A C11A 1.398(13) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.383(14) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.385(14) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.381(13) . ?
C13A H13A 0.9500 . ?
C14A H14A 0.9500 . ?
C15A C16A 1.358(13) . ?
C15A C20A 1.432(14) . ?
C16A C17A 1.407(14) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.368(14) . ?
C17A H17A 0.9500 . ?
C18A C19A 1.374(15) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.378(14) . ?
C19A H19A 0.9500 . ?
C20A H20A 0.9500 . ?
C21A C26A 1.373(13) . ?
C21A C22A 1.406(13) . ?
C22A C23A 1.373(14) . ?
C22A H22A 0.9500 . ?
C23A C24A 1.390(15) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.385(15) . ?
C24A H24A 0.9500 . ?
C25A C26A 1.417(14) . ?
C25A H25A 0.9500 . ?
C26A H26A 0.9500 . ?
C27A C28A 1.446(13) . ?
C28A C29A 1.450(12) . ?
C29A C34A 1.385(13) . ?
C29A C30A 1.394(13) . ?
C30A C31A 1.406(13) . ?
C30A H30A 0.9500 . ?
C31A C32A 1.369(14) . ?
C31A H31A 0.9500 . ?
C32A C33A 1.374(14) . ?
C33A C34A 1.388(13) . ?
C33A H33A 0.9500 . ?
C34A H34A 0.9500 . ?
C35A C36A 1.365(15) . ?
C35A C40A 1.374(14) . ?
C36A C37A 1.400(16) . ?
C36A H36A 0.9500 . ?
C37A C38A 1.343(18) . ?
C37A H37A 0.9500 . ?
C38A C39A 1.377(16) . ?
C38A H38A 0.9500 . ?
C39A C40A 1.379(14) . ?
C39A H39A 0.9500 . ?
C40A H40A 0.9500 . ?
C41A C42A 1.351(13) . ?
C41A C46A 1.412(13) . ?
C42A C43A 1.375(13) . ?
C42A H42A 0.9500 . ?
C43A C44A 1.378(14) . ?
C43A H43A 0.9500 . ?
C44A C45A 1.374(14) . ?
C44A H44A 0.9500 . ?
C45A C46A 1.360(14) . ?
C45A H45A 0.9500 . ?
C46A H46A 0.9500 . ?
C47A C52A 1.363(13) . ?
C47A C48A 1.373(14) . ?
C48A C49A 1.422(16) . ?
C48A H48A 0.9500 . ?
C49A C50A 1.352(16) . ?
C49A H49A 0.9500 . ?
C50A C51A 1.359(15) . ?
C50A H50A 0.9500 . ?
C51A C52A 1.415(15) . ?
C51A H51A 0.9500 . ?
C52A H52A 0.9500 . ?
C53A C54A 1.360(13) . ?
C53A C58A 1.367(14) . ?
C54A C55A 1.373(14) . ?
C54A H54A 0.9500 . ?
C55A C56A 1.376(15) . ?
C55A H55A 0.9500 . ?
C56A C57A 1.374(15) . ?
C56A H56A 0.9500 . ?
C57A C58A 1.383(14) . ?
C57A H57A 0.9500 . ?
C58A H58A 0.9500 . ?
C59A C64A 1.375(13) . ?
C59A C60A 1.398(13) . ?
C60A C61A 1.364(15) . ?
C60A H60A 0.9500 . ?
C61A C62A 1.374(16) . ?
C61A H61A 0.9500 . ?
C62A C63A 1.371(15) . ?
C62A H62A 0.9500 . ?
C63A C64A 1.417(14) . ?
C63A H63A 0.9500 . ?
C64A H64A 0.9500 . ?
C65A C70A 1.391(12) . ?
C65A C66A 1.410(13) . ?
C66A C67A 1.383(13) . ?
C66A H66A 0.9500 . ?
C67A C68A 1.396(14) . ?
C67A H67A 0.9500 . ?
C68A C69A 1.364(15) . ?
C68A H68A 0.9500 . ?
C69A C70A 1.396(13) . ?
C69A H69A 0.9500 . ?
C70A H70A 0.9500 . ?
C71A C76A 1.364(13) . ?
C71A C72A 1.382(14) . ?
C72A C73A 1.418(13) . ?
C72A H72A 0.9500 . ?
C73A C74A 1.388(15) . ?
C73A H73A 0.9500 . ?
C74A C75A 1.354(16) . ?
C74A H74A 0.9500 . ?
C75A C76A 1.374(13) . ?
C75A H75A 0.9500 . ?
C76A H76A 0.9500 . ?
C77A C78A 1.409(13) . ?
C77A C82A 1.410(13) . ?
C78A C79A 1.375(14) . ?
C78A H78A 0.9500 . ?
C79A C80A 1.354(14) . ?
C79A H79A 0.9500 . ?
C80A C81A 1.407(14) . ?
C80A H80A 0.9500 . ?
C81A C82A 1.367(14) . ?
C81A H81A 0.9500 . ?
C82A H82A 0.9500 . ?
C83A C84A 1.383(13) . ?
C83A C88A 1.418(14) . ?
C84A C85A 1.392(14) . ?
C84A H84A 0.9500 . ?
C85A C86A 1.379(15) . ?
C85A H85A 0.9500 . ?
C86A C87A 1.392(16) . ?
C86A H86A 0.9500 . ?
C87A C88A 1.385(15) . ?
C87A H87A 0.9500 . ?
C88A H88A 0.9500 . ?
Pt1B N1B 2.058(7) . ?
Pt1B N5B 2.072(7) . ?
Pt1B P3B 2.283(3) . ?
Pt1B P4B 2.295(2) . ?
Au1B C1B 2.027(10) . ?
Au1B P1B 2.290(3) . ?
Au2B C27B 1.998(9) . ?
Au2B P2B 2.283(3) . ?
P1B C15B 1.786(10) . ?
P1B C9B 1.805(10) . ?
P1B C21B 1.840(10) . ?
P2B C47B 1.788(13) . ?
P2B C35B 1.802(11) . ?
P2B C41B 1.877(11) . ?
P3B C59B 1.816(11) . ?
P3B C65B 1.830(10) . ?
P3B C53B 1.833(10) . ?
P4B C83B 1.811(11) . ?
P4B C71B 1.829(10) . ?
P4B C77B 1.837(10) . ?
O1B N4B 1.236(14) . ?
O2B N4B 1.235(14) . ?
O3B N8B 1.192(13) . ?
O4B N8B 1.307(19) . ?
O4B' N8B 1.35(2) . ?
N1B C1B 1.315(11) . ?
N1B N2B 1.364(10) . ?
N2B N3B 1.298(10) . ?
N3B C2B 1.358(12) . ?
N4B C6B 1.464(15) . ?
N5B N6B 1.333(10) . ?
N5B C27B 1.347(11) . ?
N6B N7B 1.322(10) . ?
N7B C28B 1.352(12) . ?
N8B C32B 1.485(15) . ?
C1B C2B 1.412(12) . ?
C2B C3B 1.470(13) . ?
C3B C4B 1.395(13) . ?
C3B C8B 1.411(13) . ?
C4B C5B 1.376(14) . ?
C4B H4BA 0.9500 . ?
C5B C6B 1.360(15) . ?
C5B H5BA 0.9500 . ?
C6B C7B 1.365(14) . ?
C7B C8B 1.375(13) . ?
C7B H7BA 0.9500 . ?
C8B H8BA 0.9500 . ?
C9B C10B 1.357(15) . ?
C9B C14B 1.385(15) . ?
C10B C11B 1.402(15) . ?
C10B H10B 0.9500 . ?
C11B C12B 1.358(18) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.41(2) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.366(17) . ?
C13B H13B 0.9500 . ?
C14B H14B 0.9500 . ?
C15B C20B 1.397(14) . ?
C15B C16B 1.421(13) . ?
C16B C17B 1.412(15) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.371(16) . ?
C17B H17B 0.9500 . ?
C18B C19B 1.377(15) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.372(14) . ?
C19B H19B 0.9500 . ?
C20B H20B 0.9500 . ?
C21B C26B 1.369(13) . ?
C21B C22B 1.375(14) . ?
C22B C23B 1.424(14) . ?
C22B H22B 0.9500 . ?
C23B C24B 1.382(15) . ?
C23B H23B 0.9500 . ?
C24B C25B 1.370(15) . ?
C24B H24B 0.9500 . ?
C25B C26B 1.389(14) . ?
C25B H25B 0.9500 . ?
C26B H26B 0.9500 . ?
C27B C28B 1.393(13) . ?
C28B C29B 1.496(14) . ?
C29B C34B 1.377(14) . ?
C29B C30B 1.418(14) . ?
C30B C31B 1.371(15) . ?
C30B H30B 0.9500 . ?
C31B C32B 1.364(16) . ?
C31B H31B 0.9500 . ?
C32B C33B 1.350(14) . ?
C33B C34B 1.397(14) . ?
C33B H33B 0.9500 . ?
C34B H34B 0.9500 . ?
C35B C40B 1.389(15) . ?
C35B C36B 1.391(16) . ?
C36B C37B 1.401(16) . ?
C36B H36B 0.9500 . ?
C37B C38B 1.354(17) . ?
C37B H37B 0.9500 . ?
C38B C39B 1.361(17) . ?
C38B H38B 0.9500 . ?
C39B C40B 1.380(16) . ?
C39B H39B 0.9500 . ?
C40B H40B 0.9500 . ?
C41B C46B 1.347(16) . ?
C41B C42B 1.372(16) . ?
C42B C43B 1.390(16) . ?
C42B H42B 0.9500 . ?
C43B C44B 1.40(2) . ?
C43B H43B 0.9500 . ?
C44B C45B 1.38(2) . ?
C44B H44B 0.9500 . ?
C45B C46B 1.369(18) . ?
C45B H45B 0.9500 . ?
C46B H46B 0.9500 . ?
C47B C52B 1.358(15) . ?
C47B C48B 1.406(15) . ?
C48B C49B 1.395(17) . ?
C48B H48B 0.9500 . ?
C49B C50B 1.372(17) . ?
C49B H49B 0.9500 . ?
C50B C51B 1.368(17) . ?
C50B H50B 0.9500 . ?
C51B C52B 1.399(16) . ?
C51B H51B 0.9500 . ?
C52B H52B 0.9500 . ?
C53B C58B 1.364(14) . ?
C53B C54B 1.415(14) . ?
C54B C55B 1.362(14) . ?
C54B H54B 0.9500 . ?
C55B C56B 1.362(15) . ?
C55B H55B 0.9500 . ?
C56B C57B 1.395(16) . ?
C56B H56B 0.9500 . ?
C57B C58B 1.375(15) . ?
C57B H57B 0.9500 . ?
C58B H58B 0.9500 . ?
C59B C60B 1.391(14) . ?
C59B C64B 1.400(13) . ?
C60B C61B 1.397(15) . ?
C60B H60B 0.9500 . ?
C61B C62B 1.329(15) . ?
C61B H61B 0.9500 . ?
C62B C63B 1.398(14) . ?
C62B H62B 0.9500 . ?
C63B C64B 1.382(13) . ?
C63B H63B 0.9500 . ?
C64B H64B 0.9500 . ?
C65B C66B 1.385(13) . ?
C65B C70B 1.403(14) . ?
C66B C67B 1.400(14) . ?
C66B H66B 0.9500 . ?
C67B C68B 1.396(16) . ?
C67B H67B 0.9500 . ?
C68B C69B 1.373(15) . ?
C68B H68B 0.9500 . ?
C69B C70B 1.383(13) . ?
C69B H69B 0.9500 . ?
C70B H70B 0.9500 . ?
C71B C72B 1.382(15) . ?
C71B C76B 1.391(14) . ?
C72B C73B 1.399(14) . ?
C72B H72B 0.9500 . ?
C73B C74B 1.352(16) . ?
C73B H73B 0.9500 . ?
C74B C75B 1.397(18) . ?
C74B H74B 0.9500 . ?
C75B C76B 1.403(15) . ?
C75B H75B 0.9500 . ?
C76B H76B 0.9500 . ?
C77B C78B 1.384(14) . ?
C77B C82B 1.401(13) . ?
C78B C79B 1.379(16) . ?
C78B H78B 0.9500 . ?
C79B C80B 1.368(15) . ?
C79B H79B 0.9500 . ?
C80B C81B 1.381(15) . ?
C80B H80B 0.9500 . ?
C81B C82B 1.363(14) . ?
C81B H81B 0.9500 . ?
C82B H82B 0.9500 . ?
C83B C88B 1.374(13) . ?
C83B C84B 1.410(13) . ?
C84B C85B 1.378(15) . ?
C84B H84B 0.9500 . ?
C85B C86B 1.375(15) . ?
C85B H85B 0.9500 . ?
C86B C87B 1.389(14) . ?
C86B H86B 0.9500 . ?
C87B C88B 1.358(14) . ?
C87B H87B 0.9500 . ?
C88B H88B 0.9500 . ?
Pt1C N1C 2.029(8) . ?
Pt1C N5C 2.062(8) . ?
Pt1C P4' 2.257(8) . ?
Pt1C P3C 2.274(3) . ?
Pt1C P4C 2.312(8) . ?
Au1C C1C 2.032(11) . ?
Au1C P1C 2.302(3) . ?
Au2C C27C 2.015(10) . ?
Au2C P2C 2.287(3) . ?
P1C C21C 1.772(16) . ?
P1C C9C 1.819(12) . ?
P1C C15C 1.840(11) . ?
P1C C21E 1.907(13) . ?
P2C C41C 1.793(7) . ?
P2C C47C 1.801(12) . ?
P2C C35C 1.832(11) . ?
P3C C53C 1.797(11) . ?
P3C C65C 1.799(11) . ?
P3C C59C 1.850(11) . ?
P4C C71C 1.710(13) . ?
P4C C83C 1.857(11) . ?
P4C C77C 2.053(14) . ?
P4' C77' 1.623(14) . ?
P4' C83' 1.825(12) . ?
P4' C71C 1.964(13) . ?
O1C N4C 1.204(12) . ?
O2C N4C 1.221(11) . ?
O3C N8C 1.219(12) . ?
O4C N8C 1.234(11) . ?
N1C N2C 1.370(11) . ?
N1C C1C 1.373(12) . ?
N2C N3C 1.319(11) . ?
N3C C2C 1.356(12) . ?
N4C C6C 1.459(13) . ?
N5C N6C 1.347(11) . ?
N5C C27C 1.350(12) . ?
N6C N7C 1.348(11) . ?
N7C C28C 1.341(12) . ?
N8C C32C 1.478(13) . ?
C1C C2C 1.402(14) . ?
C2C C3C 1.470(14) . ?
C3C C8C 1.346(14) . ?
C3C C4C 1.398(16) . ?
C4C C5C 1.394(16) . ?
C4C H4CA 0.9500 . ?
C5C C6C 1.346(15) . ?
C5C H5CA 0.9500 . ?
C6C C7C 1.353(15) . ?
C7C C8C 1.387(14) . ?
C7C H7CA 0.9500 . ?
C8C H8CA 0.9500 . ?
C9C C14C 1.367(16) . ?
C9C C10C 1.367(14) . ?
C10C C11C 1.401(16) . ?
C10C H10C 0.9500 . ?
C11C C12C 1.355(15) . ?
C11C H11C 0.9500 . ?
C12C C13C 1.327(17) . ?
C12C H12C 0.9500 . ?
C13C C14C 1.408(19) . ?
C13C H13C 0.9500 . ?
C14C H14C 0.9500 . ?
C15C C20C 1.335(15) . ?
C15C C16C 1.375(15) . ?
C16C C17C 1.420(15) . ?
C16C H16C 0.9500 . ?
C17C C18C 1.343(16) . ?
C17C H17C 0.9500 . ?
C18C C19C 1.372(18) . ?
C18C H18C 0.9500 . ?
C19C C20C 1.406(17) . ?
C19C H19C 0.9500 . ?
C20C H20C 0.9500 . ?
C21C C22C 1.3900 . ?
C21C C26C 1.3900 . ?
C22C C23C 1.3900 . ?
C22C H22D 0.9500 . ?
C23C C24C 1.3900 . ?
C23C H23D 0.9500 . ?
C24C C25C 1.3900 . ?
C24C H24D 0.9500 . ?
C25C C26C 1.3900 . ?
C25C H25D 0.9500 . ?
C26C H26D 0.9500 . ?
C21E C22E 1.3900 . ?
C21E C26E 1.3900 . ?
C22E C23E 1.3900 . ?
C22E H22E 0.9500 . ?
C23E C24E 1.3900 . ?
C23E H23E 0.9500 . ?
C24E C25E 1.3900 . ?
C24E H24E 0.9500 . ?
C25E C26E 1.3900 . ?
C25E H25E 0.9500 . ?
C26E H26E 0.9500 . ?
C27C C28C 1.409(13) . ?
C28C C29C 1.456(13) . ?
C29C C30C 1.361(13) . ?
C29C C34C 1.419(14) . ?
C30C C31C 1.402(14) . ?
C30C H30C 0.9500 . ?
C31C C32C 1.333(15) . ?
C31C H31C 0.9500 . ?
C32C C33C 1.373(15) . ?
C33C C34C 1.374(14) . ?
C33C H33C 0.9500 . ?
C34C H34C 0.9500 . ?
C35C C36C 1.328(15) . ?
C35C C40C 1.349(15) . ?
C36C C37C 1.389(14) . ?
C36C H36C 0.9500 . ?
C37C C38C 1.340(15) . ?
C37C H37C 0.9500 . ?
C38C C39C 1.325(18) . ?
C38C H38C 0.9500 . ?
C39C C40C 1.412(17) . ?
C39C H39C 0.9500 . ?
C40C H40C 0.9500 . ?
C41C C42C 1.3900 . ?
C41C C46C 1.3900 . ?
C42C C43C 1.3900 . ?
C42C H42C 0.9500 . ?
C43C C44C 1.3900 . ?
C43C H43C 0.9500 . ?
C44C C45C 1.3900 . ?
C44C H44C 0.9500 . ?
C45C C46C 1.3900 . ?
C45C H45C 0.9500 . ?
C46C H46C 0.9500 . ?
C47C C52C 1.376(15) . ?
C47C C48C 1.410(15) . ?
C48C C49C 1.372(17) . ?
C48C H48C 0.9500 . ?
C49C C50C 1.373(18) . ?
C49C H49C 0.9500 . ?
C50C C51C 1.350(18) . ?
C50C H50C 0.9500 . ?
C51C C52C 1.409(17) . ?
C51C H51C 0.9500 . ?
C52C H52C 0.9500 . ?
C53C C54C 1.366(15) . ?
C53C C58C 1.420(15) . ?
C54C C55C 1.420(17) . ?
C54C H54C 0.9500 . ?
C55C C56C 1.405(18) . ?
C55C H55C 0.9500 . ?
C56C C57C 1.381(18) . ?
C56C H56C 0.9500 . ?
C57C C58C 1.384(17) . ?
C57C H57C 0.9500 . ?
C58C H58C 0.9500 . ?
C59C C60C 1.370(18) . ?
C59C C64C 1.419(18) . ?
C60C C61C 1.399(18) . ?
C60C H60C 0.9500 . ?
C61C C62C 1.37(3) . ?
C61C H61C 0.9500 . ?
C62C C63C 1.31(3) . ?
C62C H62C 0.9500 . ?
C63C C64C 1.45(2) . ?
C63C H63C 0.9500 . ?
C64C H64C 0.9500 . ?
C65C C70C 1.375(17) . ?
C65C C66C 1.381(14) . ?
C66C C67C 1.357(16) . ?
C66C H66C 0.9500 . ?
C67C C68C 1.37(2) . ?
C67C H67C 0.9500 . ?
C68C C69C 1.39(2) . ?
C68C H68C 0.9500 . ?
C69C C70C 1.452(17) . ?
C69C H69C 0.9500 . ?
C70C H70C 0.9500 . ?
C71C C72C 1.342(15) . ?
C71C C76C 1.374(15) . ?
C72C C73C 1.400(16) . ?
C72C H72C 0.9500 . ?
C73C C74C 1.353(19) . ?
C73C H73C 0.9500 . ?
C74C C75C 1.36(2) . ?
C74C H74C 0.9500 . ?
C75C C76C 1.391(18) . ?
C75C H75C 0.9500 . ?
C76C H76C 0.9500 . ?
C77C C78C 1.3900 . ?
C77C C82C 1.3900 . ?
C78C C79C 1.3900 . ?
C78C H78C 0.9500 . ?
C79C C80C 1.3900 . ?
C79C H79C 0.9500 . ?
C80C C81C 1.3900 . ?
C80C H80C 0.9500 . ?
C81C C82C 1.3900 . ?
C81C H81C 0.9500 . ?
C82C H82C 0.9500 . ?
C77' C78' 1.3900 . ?
C77' C82' 1.3900 . ?
C78' C79' 1.3900 . ?
C78' H78D 0.9500 . ?
C79' C80' 1.3900 . ?
C79' H79D 0.9500 . ?
C80' C81' 1.3900 . ?
C80' H80D 0.9500 . ?
C81' C82' 1.3900 . ?
C81' H81D 0.9500 . ?
C82' H82D 0.9500 . ?
C83C C84C 1.3900 . ?
C83C C88C 1.3900 . ?
C84C C85C 1.3900 . ?
C84C H84C 0.9500 . ?
C85C C86C 1.3900 . ?
C85C H85C 0.9500 . ?
C86C C87C 1.3900 . ?
C86C H86C 0.9500 . ?
C87C C88C 1.3900 . ?
C87C H87C 0.9500 . ?
C88C H88C 0.9500 . ?
C83' C84' 1.3900 . ?
C83' C88' 1.3900 . ?
C84' C85' 1.3900 . ?
C84' H84D 0.9500 . ?
C85' C86' 1.3900 . ?
C85' H85D 0.9500 . ?
C86' C87' 1.3900 . ?
C86' H86D 0.9500 . ?
C87' C88' 1.3900 . ?
C87' H87D 0.9500 . ?
C88' H88D 0.9500 . ?
Pt1D N1D 2.052(7) . ?
Pt1D N5D 2.075(7) . ?
Pt1D P4D 2.276(3) . ?
Pt1D P3D 2.295(2) . ?
Au1D C1D 2.009(10) . ?
Au1D P1D 2.274(3) . ?
Au2D C27D 2.018(9) . ?
Au2D P2D 2.287(3) . ?
P1D C9D 1.802(10) . ?
P1D C15D 1.816(11) . ?
P1D C21D 1.835(10) . ?
P2D C47D 1.798(15) . ?
P2D C35D 1.816(9) . ?
P2D C41D 1.821(11) . ?
P2D C35' 1.947(17) . ?
P3D C65D 1.800(10) . ?
P3D C59D 1.816(9) . ?
P3D C53D 1.823(10) . ?
P4D C83D 1.810(10) . ?
P4D C77D 1.837(10) . ?
P4D C71D 1.843(9) . ?
O1D N4D 1.26(2) . ?
O2D N4D 1.10(2) . ?
O1D' N4D 1.29(3) . ?
O2D' N4D 1.37(3) . ?
O3D N8D 1.25(3) . ?
O4D N8D 1.23(3) . ?
O3D' N8D 1.283(16) . ?
O4D' N8D 1.149(18) . ?
N1D N2D 1.362(10) . ?
N1D C1D 1.428(12) . ?
N2D N3D 1.315(10) . ?
N3D C2D 1.368(11) . ?
N4D C6D 1.503(14) . ?
N5D C27D 1.307(12) . ?
N5D N6D 1.360(11) . ?
N6D N7D 1.315(10) . ?
N7D C28D 1.352(12) . ?
N8D C32D 1.449(13) . ?
C1D C2D 1.357(12) . ?
C2D C3D 1.456(13) . ?
C3D C4D 1.356(15) . ?
C3D C8D 1.394(14) . ?
C4D C5D 1.387(16) . ?
C4D H4DA 0.9500 . ?
C5D C6D 1.362(16) . ?
C5D H5DA 0.9500 . ?
C6D C7D 1.394(15) . ?
C7D C8D 1.379(14) . ?
C7D H7DA 0.9500 . ?
C8D H8DA 0.9500 . ?
C9D C14D 1.398(13) . ?
C9D C10D 1.397(14) . ?
C10D C11D 1.386(14) . ?
C10D H10D 0.9500 . ?
C11D C12D 1.365(14) . ?
C11D H11D 0.9500 . ?
C12D C13D 1.348(16) . ?
C12D H12D 0.9500 . ?
C13D C14D 1.384(15) . ?
C13D H13D 0.9500 . ?
C14D H14D 0.9500 . ?
C15D C20D 1.380(14) . ?
C15D C16D 1.380(13) . ?
C16D C17D 1.355(14) . ?
C16D H16D 0.9500 . ?
C17D C18D 1.410(15) . ?
C17D H17D 0.9500 . ?
C18D C19D 1.385(15) . ?
C18D H18D 0.9500 . ?
C19D C20D 1.397(14) . ?
C19D H19D 0.9500 . ?
C20D H20D 0.9500 . ?
C21D C26D 1.373(13) . ?
C21D C22D 1.381(13) . ?
C22D C23D 1.397(13) . ?
C22D H22C 0.9500 . ?
C23D C24D 1.390(15) . ?
C23D H23C 0.9500 . ?
C24D C25D 1.394(15) . ?
C24D H24C 0.9500 . ?
C25D C26D 1.404(13) . ?
C25D H25C 0.9500 . ?
C26D H26C 0.9500 . ?
C27D C28D 1.410(12) . ?
C28D C29D 1.465(13) . ?
C29D C30D 1.393(14) . ?
C29D C34D 1.396(13) . ?
C30D C31D 1.384(14) . ?
C30D H30D 0.9500 . ?
C31D C32D 1.392(13) . ?
C31D H31D 0.9500 . ?
C32D C33D 1.387(15) . ?
C33D C34D 1.383(14) . ?
C33D H33D 0.9500 . ?
C34D H34D 0.9500 . ?
C35D C36D 1.3900 . ?
C35D C40D 1.3900 . ?
C36D C37D 1.3900 . ?
C36D H36D 0.9500 . ?
C37D C38D 1.3900 . ?
C37D H37D 0.9500 . ?
C38D C39D 1.3900 . ?
C38D H38D 0.9500 . ?
C39D C40D 1.3900 . ?
C39D H39D 0.9500 . ?
C40D H40D 0.9500 . ?
Cl1E C27E 1.72(2) . ?
Cl2E C27E 1.77(2) . ?
C27E H27A 0.9900 . ?
C27E H27B 0.9900 . ?
C35' C36' 1.3900 . ?
C35' C40' 1.3900 . ?
C36' C37' 1.3900 . ?
C36' H36E 0.9500 . ?
C37' C38' 1.3900 . ?
C37' H37E 0.9500 . ?
C38' C39' 1.3900 . ?
C38' H38E 0.9500 . ?
C39' C40' 1.3900 . ?
C39' H39E 0.9500 . ?
C40' H40E 0.9500 . ?
C41D C42D 1.380(16) . ?
C41D C46D 1.381(14) . ?
C42D C43D 1.352(18) . ?
C42D H42D 0.9500 . ?
C43D C44D 1.366(18) . ?
C43D H43D 0.9500 . ?
C44D C45D 1.361(18) . ?
C44D H44D 0.9500 . ?
C45D C46D 1.393(15) . ?
C45D H45D 0.9500 . ?
C46D H46D 0.9500 . ?
C47D C52D 1.374(16) . ?
C47D C48D 1.392(16) . ?
C48D C49D 1.35(2) . ?
C48D H48D 0.9500 . ?
C49D C50D 1.40(2) . ?
C49D H49D 0.9500 . ?
C50D C51D 1.395(16) . ?
C50D H50D 0.9500 . ?
C51D C52D 1.379(17) . ?
C51D H51D 0.9500 . ?
C52D H52D 0.9500 . ?
C53D C58D 1.390(12) . ?
C53D C54D 1.399(13) . ?
C54D C55D 1.372(13) . ?
C54D H54D 0.9500 . ?
C55D C56D 1.364(14) . ?
C55D H55D 0.9500 . ?
C56D C57D 1.384(14) . ?
C56D H56D 0.9500 . ?
C57D C58D 1.361(13) . ?
C57D H57D 0.9500 . ?
C58D H58D 0.9500 . ?
C59D C64D 1.387(13) . ?
C59D C60D 1.413(12) . ?
C60D C61D 1.354(12) . ?
C60D H60D 0.9500 . ?
C61D C62D 1.393(14) . ?
C61D H61D 0.9500 . ?
C62D C63D 1.348(14) . ?
C62D H62D 0.9500 . ?
C63D C64D 1.375(13) . ?
C63D H63D 0.9500 . ?
C64D H64D 0.9500 . ?
C65D C70D 1.394(13) . ?
C65D C66D 1.427(12) . ?
C66D C67D 1.391(14) . ?
C66D H66D 0.9500 . ?
C67D C68D 1.385(14) . ?
C67D H67D 0.9500 . ?
C68D C69D 1.371(13) . ?
C68D H68D 0.9500 . ?
C69D C70D 1.404(14) . ?
C69D H69D 0.9500 . ?
C70D H70D 0.9500 . ?
C71D C72D 1.382(13) . ?
C71D C76D 1.384(13) . ?
C72D C73D 1.377(14) . ?
C72D H72D 0.9500 . ?
C73D C74D 1.384(15) . ?
C73D H73D 0.9500 . ?
C74D C75D 1.390(17) . ?
C74D H74D 0.9500 . ?
C75D C76D 1.383(14) . ?
C75D H75D 0.9500 . ?
C76D H76D 0.9500 . ?
C77D C82D 1.363(12) . ?
C77D C78D 1.411(13) . ?
C78D C79D 1.362(13) . ?
C78D H78E 0.9500 . ?
C79D C80D 1.366(13) . ?
C79D H79E 0.9500 . ?
C80D C81D 1.402(14) . ?
C80D H80E 0.9500 . ?
C81D C82D 1.403(13) . ?
C81D H81E 0.9500 . ?
C82D H82E 0.9500 . ?
C83D C84D 1.386(12) . ?
C83D C88D 1.431(14) . ?
C84D C85D 1.385(14) . ?
C84D H84E 0.9500 . ?
C85D C86D 1.354(14) . ?
C85D H85E 0.9500 . ?
C86D C87D 1.397(14) . ?
C86D H86E 0.9500 . ?
C87D C88D 1.385(14) . ?
C87D H87E 0.9500 . ?
C88D H88E 0.9500 . ?
Cl1 C89 1.745(12) . ?
Cl2 C89 1.793(13) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
Cl3 C90 1.76(2) . ?
Cl4 C90 1.73(3) . ?
Cl3' C90 1.75(2) . ?
Cl4' C90 1.80(2) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C90 H90C 0.9900 . ?
C90 H90D 0.9901 . ?
Cl5 C91 1.78(3) . ?
Cl6 C91 1.82(3) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
Cl7 C92 1.65(4) . ?
Cl8 C92 1.91(3) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
Cl9 C93 1.749(19) . ?
Cl10 C93 1.778(19) . ?
C93 H93M 0.9900 . ?
C93 H93N 0.9900 . ?
Cl11 C94 1.739(19) . ?
Cl12 C94 1.80(2) . ?
C94 H94M 0.9900 . ?
C94 H94N 0.9900 . ?
Cl13 C95 1.76(2) . ?
Cl14 C95 1.78(2) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
Cl15 C96 1.74(2) . ?
Cl16 C96 1.81(2) . ?
C96 H97A 0.9900 . ?
C96 H97B 0.9900 . ?
Cl17 C97 1.747(5) . ?
Cl18 C97 1.753(5) . ?
C97 H97C 0.9900 . ?
C97 H97D 0.9900 . ?
C911 C912 1.5449 . ?
C911 H91D 0.9800 . ?
C911 H91E 0.9800 . ?
C911 H91F 0.9800 . ?
C912 C913 1.5517 . ?
C912 H91G 0.9900 . ?
C912 H91H 0.9900 . ?
C913 C914 1.5337 . ?
C913 H91I 0.9900 . ?
C913 H91J 0.9900 . ?
C914 C915 1.5432 . ?
C914 H91K 0.9900 . ?
C914 H91L 0.9900 . ?
C915 H91M 0.9800 . ?
C915 H91N 0.9800 . ?
C915 H91O 0.9800 . ?
C921 C922 1.5433 . ?
C921 H92G 0.9800 . ?
C921 H92H 0.9800 . ?
C921 H92I 0.9800 . ?
C922 C923 1.5339 . ?
C922 h92m 0.9900 . ?
C922 h92n 0.9900 . ?
C923 C924 1.5517 . ?
C923 H92C 0.9900 . ?
C923 H92D 0.9900 . ?
C924 C925 1.5445 . ?
C924 H92E 0.9900 . ?
C924 H92F 0.9900 . ?
C925 H92J 0.9800 . ?
C925 H92K 0.9800 . ?
C925 H92L 0.9800 . ?
C931 C932 1.5450 . ?
C931 H93G 0.9800 . ?
C931 H93H 0.9800 . ?
C931 H93I 0.9800 . ?
C932 C933 1.5514 . ?
C932 H93A 0.9900 . ?
C932 H93B 0.9900 . ?
C933 C934 1.5335 . ?
C933 H93C 0.9900 . ?
C933 H93D 0.9900 . ?
C934 C935 1.5431 . ?
C934 H93E 0.9900 . ?
C934 H93F 0.9900 . ?
C935 H93J 0.9800 . ?
C935 H93K 0.9800 . ?
C935 H93L 0.9800 . ?
C901 C902 1.5450 . ?
C901 H90K 0.9800 . ?
C901 H90L 0.9800 . ?
C901 H90M 0.9800 . ?
C902 C903 1.5513 . ?
C902 H90E 0.9900 . ?
C902 H90F 0.9900 . ?
C903 C904 1.5338 . ?
C903 H90G 0.9900 . ?
C903 H90H 0.9900 . ?
C904 C905 1.5432 . ?
C904 H90I 0.9900 . ?
C904 H90J 0.9900 . ?
C905 H90N 0.9800 . ?
C905 H90O 0.9800 . ?
C905 H90P 0.9800 . ?
C941 C942 1.511(19) . ?
C941 H94G 0.9800 . ?
C941 H94H 0.9800 . ?
C941 H94I 0.9800 . ?
C942 C943 1.494(19) . ?
C942 H94A 0.9900 . ?
C942 H94B 0.9900 . ?
C943 C944 1.458(19) . ?
C943 H94C 0.9900 . ?
C943 H94D 0.9900 . ?
C944 C945 1.512(19) . ?
C944 H94E 0.9900 . ?
C944 H94F 0.9900 . ?
C945 H94J 0.9800 . ?
C945 H94K 0.9800 . ?
C945 H94L 0.9800 . ?

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
N1A Pt1A N5A 86.2(3) . . ?
N1A Pt1A P3A 86.3(2) . . ?
N5A Pt1A P3A 172.3(2) . . ?
N1A Pt1A P4A 175.3(2) . . ?
N5A Pt1A P4A 89.3(2) . . ?
P3A Pt1A P4A 98.25(9) . . ?
C1A Au1A P1A 176.0(3) . . ?
C27A Au2A P2A 173.6(3) . . ?
C9A P1A C15A 105.5(5) . . ?
C9A P1A C21A 107.4(5) . . ?
C15A P1A C21A 101.8(5) . . ?
C9A P1A Au1A 114.3(3) . . ?
C15A P1A Au1A 110.6(3) . . ?
C21A P1A Au1A 116.1(3) . . ?
C35A P2A C47A 107.7(5) . . ?
C35A P2A C41A 103.7(5) . . ?
C47A P2A C41A 104.6(5) . . ?
C35A P2A Au2A 113.7(4) . . ?
C47A P2A Au2A 117.9(3) . . ?
C41A P2A Au2A 107.9(3) . . ?
C59A P3A C65A 110.6(4) . . ?
C59A P3A C53A 104.0(5) . . ?
C65A P3A C53A 100.3(4) . . ?
C59A P3A Pt1A 110.5(3) . . ?
C65A P3A Pt1A 116.0(3) . . ?
C53A P3A Pt1A 114.4(3) . . ?
C83A P4A C71A 107.2(5) . . ?
C83A P4A C77A 101.6(5) . . ?
C71A P4A C77A 101.8(4) . . ?
C83A P4A Pt1A 110.5(4) . . ?
C71A P4A Pt1A 116.5(3) . . ?
C77A P4A Pt1A 117.6(3) . . ?
C1A N1A N2A 112.1(8) . . ?
C1A N1A Pt1A 130.1(6) . . ?
N2A N1A Pt1A 117.8(6) . . ?
N3A N2A N1A 106.8(7) . . ?
N2A N3A C2A 108.7(8) . . ?
O2A N4A O1A 121.1(10) . . ?
O2A N4A C6A 120.8(10) . . ?
O1A N4A C6A 117.9(10) . . ?
C27A N5A N6A 113.5(8) . . ?
C27A N5A Pt1A 128.4(7) . . ?
N6A N5A Pt1A 118.1(6) . . ?
N7A N6A N5A 107.8(7) . . ?
N6A N7A C28A 108.6(8) . . ?
O3A N8A O4A 123.4(9) . . ?
O3A N8A C32A 118.8(10) . . ?
O4A N8A C32A 117.8(9) . . ?
N1A C1A C2A 102.7(8) . . ?
N1A C1A Au1A 121.7(7) . . ?
C2A C1A Au1A 135.5(7) . . ?
N3A C2A C1A 109.7(8) . . ?
N3A C2A C3A 119.5(9) . . ?
C1A C2A C3A 130.7(9) . . ?
C8A C3A C4A 117.3(10) . . ?
C8A C3A C2A 123.3(10) . . ?
C4A C3A C2A 119.5(9) . . ?
C5A C4A C3A 121.7(10) . . ?
C5A C4A H4AA 119.2 . . ?
C3A C4A H4AA 119.2 . . ?
C4A C5A C6A 119.2(10) . . ?
C4A C5A H5AA 120.4 . . ?
C6A C5A H5AA 120.4 . . ?
C7A C6A C5A 121.1(9) . . ?
C7A C6A N4A 118.9(10) . . ?
C5A C6A N4A 120.0(10) . . ?
C8A C7A C6A 119.3(10) . . ?
C8A C7A H7AA 120.3 . . ?
C6A C7A H7AA 120.3 . . ?
C7A C8A C3A 121.5(10) . . ?
C7A C8A H8AA 119.2 . . ?
C3A C8A H8AA 119.2 . . ?
C14A C9A C10A 118.8(9) . . ?
C14A C9A P1A 124.4(8) . . ?
C10A C9A P1A 116.8(7) . . ?
C11A C10A C9A 118.8(9) . . ?
C11A C10A H10A 120.6 . . ?
C9A C10A H10A 120.6 . . ?
C12A C11A C10A 121.6(10) . . ?
C12A C11A H11A 119.2 . . ?
C10A C11A H11A 119.2 . . ?
C11A C12A C13A 118.7(10) . . ?
C11A C12A H12A 120.7 . . ?
C13A C12A H12A 120.7 . . ?
C14A C13A C12A 120.8(10) . . ?
C14A C13A H13A 119.6 . . ?
C12A C13A H13A 119.6 . . ?
C9A C14A C13A 121.3(10) . . ?
C9A C14A H14A 119.4 . . ?
C13A C14A H14A 119.4 . . ?
C16A C15A C20A 118.9(10) . . ?
C16A C15A P1A 125.1(9) . . ?
C20A C15A P1A 116.0(8) . . ?
C15A C16A C17A 120.3(10) . . ?
C15A C16A H16A 119.9 . . ?
C17A C16A H16A 119.8 . . ?
C18A C17A C16A 119.6(10) . . ?
C18A C17A H17A 120.2 . . ?
C16A C17A H17A 120.2 . . ?
C17A C18A C19A 121.9(10) . . ?
C17A C18A H18A 119.1 . . ?
C19A C18A H18A 119.1 . . ?
C18A C19A C20A 118.8(11) . . ?
C18A C19A H19A 120.6 . . ?
C20A C19A H19A 120.6 . . ?
C19A C20A C15A 120.6(10) . . ?
C19A C20A H20A 119.7 . . ?
C15A C20A H20A 119.7 . . ?
C26A C21A C22A 120.9(10) . . ?
C26A C21A P1A 118.9(8) . . ?
C22A C21A P1A 120.1(8) . . ?
C23A C22A C21A 118.8(10) . . ?
C23A C22A H22A 120.6 . . ?
C21A C22A H22A 120.6 . . ?
C22A C23A C24A 121.8(11) . . ?
C22A C23A H23A 119.1 . . ?
C24A C23A H23A 119.1 . . ?
C25A C24A C23A 119.1(11) . . ?
C25A C24A H24A 120.5 . . ?
C23A C24A H24A 120.5 . . ?
C24A C25A C26A 120.2(10) . . ?
C24A C25A H25A 119.9 . . ?
C26A C25A H25A 119.9 . . ?
C21A C26A C25A 119.2(10) . . ?
C21A C26A H26A 120.4 . . ?
C25A C26A H26A 120.4 . . ?
N5A C27A C28A 102.2(8) . . ?
N5A C27A Au2A 125.6(7) . . ?
C28A C27A Au2A 132.2(7) . . ?
N7A C28A C27A 107.9(8) . . ?
N7A C28A C29A 121.3(9) . . ?
C27A C28A C29A 130.7(9) . . ?
C34A C29A C30A 118.4(9) . . ?
C34A C29A C28A 123.2(9) . . ?
C30A C29A C28A 118.3(9) . . ?
C29A C30A C31A 120.8(9) . . ?
C29A C30A H30A 119.6 . . ?
C31A C30A H30A 119.6 . . ?
C32A C31A C30A 118.2(9) . . ?
C32A C31A H31A 120.9 . . ?
C30A C31A H31A 120.9 . . ?
C31A C32A C33A 122.6(9) . . ?
C31A C32A N8A 118.4(10) . . ?
C33A C32A N8A 119.0(10) . . ?
C32A C33A C34A 118.4(10) . . ?
C32A C33A H33A 120.8 . . ?
C34A C33A H33A 120.8 . . ?
C29A C34A C33A 121.6(10) . . ?
C29A C34A H34A 119.2 . . ?
C33A C34A H34A 119.2 . . ?
C36A C35A C40A 118.1(10) . . ?
C36A C35A P2A 118.6(8) . . ?
C40A C35A P2A 123.3(8) . . ?
C35A C36A C37A 119.6(12) . . ?
C35A C36A H36A 120.2 . . ?
C37A C36A H36A 120.2 . . ?
C38A C37A C36A 121.9(14) . . ?
C38A C37A H37A 119.0 . . ?
C36A C37A H37A 119.0 . . ?
C37A C38A C39A 118.8(12) . . ?
C37A C38A H38A 120.6 . . ?
C39A C38A H38A 120.6 . . ?
C38A C39A C40A 119.5(12) . . ?
C38A C39A H39A 120.3 . . ?
C40A C39A H39A 120.3 . . ?
C35A C40A C39A 122.0(11) . . ?
C35A C40A H40A 119.0 . . ?
C39A C40A H40A 119.0 . . ?
C42A C41A C46A 117.5(9) . . ?
C42A C41A P2A 123.8(8) . . ?
C46A C41A P2A 118.6(8) . . ?
C41A C42A C43A 122.6(10) . . ?
C41A C42A H42A 118.7 . . ?
C43A C42A H42A 118.7 . . ?
C42A C43A C44A 118.5(10) . . ?
C42A C43A H43A 120.8 . . ?
C44A C43A H43A 120.8 . . ?
C45A C44A C43A 121.1(10) . . ?
C45A C44A H44A 119.4 . . ?
C43A C44A H44A 119.4 . . ?
C46A C45A C44A 118.9(10) . . ?
C46A C45A H45A 120.5 . . ?
C44A C45A H45A 120.5 . . ?
C45A C46A C41A 121.4(10) . . ?
C45A C46A H46A 119.3 . . ?
C41A C46A H46A 119.3 . . ?
C52A C47A C48A 119.0(11) . . ?
C52A C47A P2A 121.7(8) . . ?
C48A C47A P2A 119.2(9) . . ?
C47A C48A C49A 119.8(11) . . ?
C47A C48A H48A 120.1 . . ?
C49A C48A H48A 120.1 . . ?
C50A C49A C48A 120.1(11) . . ?
C50A C49A H49A 119.9 . . ?
C48A C49A H49A 119.9 . . ?
C49A C50A C51A 120.6(11) . . ?
C49A C50A H50A 119.7 . . ?
C51A C50A H50A 119.7 . . ?
C50A C51A C52A 119.3(11) . . ?
C50A C51A H51A 120.3 . . ?
C52A C51A H51A 120.3 . . ?
C47A C52A C51A 121.0(10) . . ?
C47A C52A H52A 119.5 . . ?
C51A C52A H52A 119.5 . . ?
C54A C53A C58A 117.9(10) . . ?
C54A C53A P3A 123.0(8) . . ?
C58A C53A P3A 119.0(8) . . ?
C53A C54A C55A 122.7(11) . . ?
C53A C54A H54A 118.6 . . ?
C55A C54A H54A 118.6 . . ?
C54A C55A C56A 118.9(11) . . ?
C54A C55A H55A 120.6 . . ?
C56A C55A H55A 120.6 . . ?
C57A C56A C55A 119.4(11) . . ?
C57A C56A H56A 120.3 . . ?
C55A C56A H56A 120.3 . . ?
C56A C57A C58A 120.1(12) . . ?
C56A C57A H57A 119.9 . . ?
C58A C57A H57A 119.9 . . ?
C53A C58A C57A 120.8(11) . . ?
C53A C58A H58A 119.6 . . ?
C57A C58A H58A 119.6 . . ?
C64A C59A C60A 117.2(10) . . ?
C64A C59A P3A 118.5(8) . . ?
C60A C59A P3A 124.2(8) . . ?
C61A C60A C59A 120.8(11) . . ?
C61A C60A H60A 119.6 . . ?
C59A C60A H60A 119.6 . . ?
C60A C61A C62A 122.1(11) . . ?
C60A C61A H61A 118.9 . . ?
C62A C61A H61A 118.9 . . ?
C63A C62A C61A 118.9(11) . . ?
C63A C62A H62A 120.6 . . ?
C61A C62A H62A 120.6 . . ?
C62A C63A C64A 119.2(11) . . ?
C62A C63A H63A 120.4 . . ?
C64A C63A H63A 120.4 . . ?
C59A C64A C63A 121.8(11) . . ?
C59A C64A H64A 119.1 . . ?
C63A C64A H64A 119.1 . . ?
C70A C65A C66A 117.0(9) . . ?
C70A C65A P3A 126.9(8) . . ?
C66A C65A P3A 116.1(7) . . ?
C67A C66A C65A 121.7(9) . . ?
C67A C66A H66A 119.2 . . ?
C65A C66A H66A 119.2 . . ?
C66A C67A C68A 119.1(10) . . ?
C66A C67A H67A 120.5 . . ?
C68A C67A H67A 120.5 . . ?
C69A C68A C67A 120.8(10) . . ?
C69A C68A H68A 119.6 . . ?
C67A C68A H68A 119.6 . . ?
C68A C69A C70A 119.6(9) . . ?
C68A C69A H69A 120.2 . . ?
C70A C69A H69A 120.2 . . ?
C65A C70A C69A 121.8(10) . . ?
C65A C70A H70A 119.1 . . ?
C69A C70A H70A 119.1 . . ?
C76A C71A C72A 119.1(9) . . ?
C76A C71A P4A 123.2(8) . . ?
C72A C71A P4A 117.7(8) . . ?
C71A C72A C73A 120.6(10) . . ?
C71A C72A H72A 119.7 . . ?
C73A C72A H72A 119.7 . . ?
C74A C73A C72A 118.1(11) . . ?
C74A C73A H73A 120.9 . . ?
C72A C73A H73A 120.9 . . ?
C75A C74A C73A 119.8(10) . . ?
C75A C74A H74A 120.1 . . ?
C73A C74A H74A 120.1 . . ?
C74A C75A C76A 121.7(11) . . ?
C74A C75A H75A 119.1 . . ?
C76A C75A H75A 119.1 . . ?
C71A C76A C75A 120.5(11) . . ?
C71A C76A H76A 119.8 . . ?
C75A C76A H76A 119.8 . . ?
C78A C77A C82A 117.8(9) . . ?
C78A C77A P4A 123.4(7) . . ?
C82A C77A P4A 118.8(8) . . ?
C79A C78A C77A 119.4(9) . . ?
C79A C78A H78A 120.3 . . ?
C77A C78A H78A 120.3 . . ?
C80A C79A C78A 122.6(11) . . ?
C80A C79A H79A 118.7 . . ?
C78A C79A H79A 118.7 . . ?
C79A C80A C81A 119.2(10) . . ?
C79A C80A H80A 120.4 . . ?
C81A C80A H80A 120.4 . . ?
C82A C81A C80A 119.6(10) . . ?
C82A C81A H81A 120.2 . . ?
C80A C81A H81A 120.2 . . ?
C81A C82A C77A 121.4(10) . . ?
C81A C82A H82A 119.3 . . ?
C77A C82A H82A 119.3 . . ?
C84A C83A C88A 118.1(10) . . ?
C84A C83A P4A 123.4(8) . . ?
C88A C83A P4A 118.5(8) . . ?
C83A C84A C85A 121.7(10) . . ?
C83A C84A H84A 119.2 . . ?
C85A C84A H84A 119.2 . . ?
C86A C85A C84A 118.7(11) . . ?
C86A C85A H85A 120.6 . . ?
C84A C85A H85A 120.6 . . ?
C85A C86A C87A 121.8(11) . . ?
C85A C86A H86A 119.1 . . ?
C87A C86A H86A 119.1 . . ?
C88A C87A C86A 118.7(12) . . ?
C88A C87A H87A 120.7 . . ?
C86A C87A H87A 120.7 . . ?
C87A C88A C83A 120.9(11) . . ?
C87A C88A H88A 119.5 . . ?
C83A C88A H88A 119.5 . . ?
N1B Pt1B N5B 87.6(3) . . ?
N1B Pt1B P3B 86.0(2) . . ?
N5B Pt1B P3B 173.5(2) . . ?
N1B Pt1B P4B 176.5(2) . . ?
N5B Pt1B P4B 89.51(19) . . ?
P3B Pt1B P4B 96.91(9) . . ?
C1B Au1B P1B 176.1(3) . . ?
C27B Au2B P2B 172.9(3) . . ?
C15B P1B C9B 101.7(5) . . ?
C15B P1B C21B 106.7(4) . . ?
C9B P1B C21B 105.7(5) . . ?
C15B P1B Au1B 113.3(4) . . ?
C9B P1B Au1B 112.7(3) . . ?
C21B P1B Au1B 115.6(3) . . ?
C47B P2B C35B 108.0(5) . . ?
C47B P2B C41B 107.7(6) . . ?
C35B P2B C41B 103.4(5) . . ?
C47B P2B Au2B 116.2(4) . . ?
C35B P2B Au2B 115.4(4) . . ?
C41B P2B Au2B 105.0(4) . . ?
C59B P3B C65B 110.8(5) . . ?
C59B P3B C53B 102.6(5) . . ?
C65B P3B C53B 101.2(5) . . ?
C59B P3B Pt1B 110.8(3) . . ?
C65B P3B Pt1B 115.0(3) . . ?
C53B P3B Pt1B 115.4(3) . . ?
C83B P4B C71B 111.9(5) . . ?
C83B P4B C77B 101.0(4) . . ?
C71B P4B C77B 101.7(4) . . ?
C83B P4B Pt1B 109.6(3) . . ?
C71B P4B Pt1B 113.8(3) . . ?
C77B P4B Pt1B 118.0(3) . . ?
C1B N1B N2B 113.7(8) . . ?
C1B N1B Pt1B 130.7(6) . . ?
N2B N1B Pt1B 115.6(6) . . ?
N3B N2B N1B 106.1(8) . . ?
N2B N3B C2B 109.3(8) . . ?
O2B N4B O1B 123.5(12) . . ?
O2B N4B C6B 118.0(12) . . ?
O1B N4B C6B 118.4(12) . . ?
N6B N5B C27B 112.5(7) . . ?
N6B N5B Pt1B 117.5(6) . . ?
C27B N5B Pt1B 129.9(6) . . ?
N7B N6B N5B 109.1(8) . . ?
N6B N7B C28B 105.1(8) . . ?
O3B N8B O4B 117.1(13) . . ?
O3B N8B O4B' 123.5(15) . . ?
O4B N8B O4B' 50.9(10) . . ?
O3B N8B C32B 121.4(11) . . ?
O4B N8B C32B 114.7(13) . . ?
O4B' N8B C32B 109.7(14) . . ?
N1B C1B C2B 102.2(8) . . ?
N1B C1B Au1B 124.5(7) . . ?
C2B C1B Au1B 133.1(7) . . ?
N3B C2B C1B 108.7(8) . . ?
N3B C2B C3B 118.2(9) . . ?
C1B C2B C3B 133.1(9) . . ?
C4B C3B C8B 117.2(9) . . ?
C4B C3B C2B 120.5(10) . . ?
C8B C3B C2B 122.3(9) . . ?
C5B C4B C3B 120.6(11) . . ?
C5B C4B H4BA 119.7 . . ?
C3B C4B H4BA 119.7 . . ?
C6B C5B C4B 120.4(11) . . ?
C6B C5B H5BA 119.8 . . ?
C4B C5B H5BA 119.8 . . ?
C5B C6B C7B 121.3(10) . . ?
C5B C6B N4B 119.6(11) . . ?
C7B C6B N4B 119.1(12) . . ?
C6B C7B C8B 119.2(11) . . ?
C6B C7B H7BA 120.4 . . ?
C8B C7B H7BA 120.4 . . ?
C7B C8B C3B 121.3(9) . . ?
C7B C8B H8BA 119.3 . . ?
C3B C8B H8BA 119.3 . . ?
C10B C9B C14B 116.8(10) . . ?
C10B C9B P1B 125.4(9) . . ?
C14B C9B P1B 117.9(9) . . ?
C9B C10B C11B 123.4(12) . . ?
C9B C10B H10B 118.3 . . ?
C11B C10B H10B 118.3 . . ?
C12B C11B C10B 117.5(12) . . ?
C12B C11B H11B 121.3 . . ?
C10B C11B H11B 121.3 . . ?
C11B C12B C13B 121.7(13) . . ?
C11B C12B H12B 119.2 . . ?
C13B C12B H12B 119.2 . . ?
C14B C13B C12B 117.4(14) . . ?
C14B C13B H13B 121.3 . . ?
C12B C13B H13B 121.3 . . ?
C13B C14B C9B 123.3(14) . . ?
C13B C14B H14B 118.4 . . ?
C9B C14B H14B 118.4 . . ?
C20B C15B C16B 117.8(10) . . ?
C20B C15B P1B 120.6(8) . . ?
C16B C15B P1B 121.5(9) . . ?
C17B C16B C15B 118.7(11) . . ?
C17B C16B H16B 120.7 . . ?
C15B C16B H16B 120.7 . . ?
C18B C17B C16B 121.5(11) . . ?
C18B C17B H17B 119.3 . . ?
C16B C17B H17B 119.3 . . ?
C17B C18B C19B 119.4(11) . . ?
C17B C18B H18B 120.3 . . ?
C19B C18B H18B 120.3 . . ?
C20B C19B C18B 120.6(12) . . ?
C20B C19B H19B 119.7 . . ?
C18B C19B H19B 119.7 . . ?
C19B C20B C15B 121.9(10) . . ?
C19B C20B H20B 119.1 . . ?
C15B C20B H20B 119.1 . . ?
C26B C21B C22B 119.8(10) . . ?
C26B C21B P1B 123.0(8) . . ?
C22B C21B P1B 117.2(7) . . ?
C21B C22B C23B 120.1(10) . . ?
C21B C22B H22B 120.0 . . ?
C23B C22B H22B 120.0 . . ?
C24B C23B C22B 119.0(10) . . ?
C24B C23B H23B 120.5 . . ?
C22B C23B H23B 120.5 . . ?
C25B C24B C23B 120.0(10) . . ?
C25B C24B H24B 120.0 . . ?
C23B C24B H24B 120.0 . . ?
C24B C25B C26B 120.6(11) . . ?
C24B C25B H25B 119.7 . . ?
C26B C25B H25B 119.7 . . ?
C21B C26B C25B 120.6(10) . . ?
C21B C26B H26B 119.7 . . ?
C25B C26B H26B 119.7 . . ?
N5B C27B C28B 100.7(8) . . ?
N5B C27B Au2B 122.7(6) . . ?
C28B C27B Au2B 136.5(7) . . ?
N7B C28B C27B 112.5(9) . . ?
N7B C28B C29B 117.3(9) . . ?
C27B C28B C29B 130.3(10) . . ?
C34B C29B C30B 117.2(10) . . ?
C34B C29B C28B 123.3(9) . . ?
C30B C29B C28B 119.4(10) . . ?
C31B C30B C29B 121.5(11) . . ?
C31B C30B H30B 119.3 . . ?
C29B C30B H30B 119.3 . . ?
C32B C31B C30B 117.5(11) . . ?
C32B C31B H31B 121.3 . . ?
C30B C31B H31B 121.3 . . ?
C33B C32B C31B 124.8(11) . . ?
C33B C32B N8B 116.6(11) . . ?
C31B C32B N8B 118.6(11) . . ?
C32B C33B C34B 116.9(11) . . ?
C32B C33B H33B 121.5 . . ?
C34B C33B H33B 121.5 . . ?
C29B C34B C33B 122.1(10) . . ?
C29B C34B H34B 119.0 . . ?
C33B C34B H34B 119.0 . . ?
C40B C35B C36B 117.1(11) . . ?
C40B C35B P2B 122.5(10) . . ?
C36B C35B P2B 120.4(9) . . ?
C35B C36B C37B 121.5(12) . . ?
C35B C36B H36B 119.3 . . ?
C37B C36B H36B 119.3 . . ?
C38B C37B C36B 119.7(13) . . ?
C38B C37B H37B 120.2 . . ?
C36B C37B H37B 120.2 . . ?
C37B C38B C39B 119.7(13) . . ?
C37B C38B H38B 120.2 . . ?
C39B C38B H38B 120.2 . . ?
C38B C39B C40B 121.6(13) . . ?
C38B C39B H39B 119.2 . . ?
C40B C39B H39B 119.2 . . ?
C39B C40B C35B 120.4(13) . . ?
C39B C40B H40B 119.8 . . ?
C35B C40B H40B 119.8 . . ?
C46B C41B C42B 122.9(11) . . ?
C46B C41B P2B 122.2(10) . . ?
C42B C41B P2B 114.8(9) . . ?
C41B C42B C43B 118.8(13) . . ?
C41B C42B H42B 120.6 . . ?
C43B C42B H42B 120.6 . . ?
C42B C43B C44B 118.9(14) . . ?
C42B C43B H43B 120.6 . . ?
C44B C43B H43B 120.5 . . ?
C45B C44B C43B 119.6(14) . . ?
C45B C44B H44B 120.2 . . ?
C43B C44B H44B 120.2 . . ?
C46B C45B C44B 120.8(15) . . ?
C46B C45B H45B 119.6 . . ?
C44B C45B H45B 119.6 . . ?
C41B C46B C45B 118.9(14) . . ?
C41B C46B H46B 120.6 . . ?
C45B C46B H46B 120.6 . . ?
C52B C47B C48B 117.5(12) . . ?
C52B C47B P2B 124.8(10) . . ?
C48B C47B P2B 117.3(9) . . ?
C49B C48B C47B 120.5(12) . . ?
C49B C48B H48B 119.7 . . ?
C47B C48B H48B 119.7 . . ?
C50B C49B C48B 119.9(14) . . ?
C50B C49B H49B 120.1 . . ?
C48B C49B H49B 120.1 . . ?
C51B C50B C49B 120.4(13) . . ?
C51B C50B H50B 119.8 . . ?
C49B C50B H50B 119.8 . . ?
C50B C51B C52B 119.1(13) . . ?
C50B C51B H51B 120.4 . . ?
C52B C51B H51B 120.4 . . ?
C47B C52B C51B 122.4(12) . . ?
C47B C52B H52B 118.8 . . ?
C51B C52B H52B 118.8 . . ?
C58B C53B C54B 117.1(10) . . ?
C58B C53B P3B 119.6(9) . . ?
C54B C53B P3B 123.3(8) . . ?
C55B C54B C53B 120.7(10) . . ?
C55B C54B H54B 119.7 . . ?
C53B C54B H54B 119.7 . . ?
C54B C55B C56B 120.8(11) . . ?
C54B C55B H55B 119.6 . . ?
C56B C55B H55B 119.6 . . ?
C55B C56B C57B 120.1(11) . . ?
C55B C56B H56B 120.0 . . ?
C57B C56B H56B 120.0 . . ?
C58B C57B C56B 118.4(11) . . ?
C58B C57B H57B 120.8 . . ?
C56B C57B H57B 120.8 . . ?
C53B C58B C57B 122.9(11) . . ?
C53B C58B H58B 118.5 . . ?
C57B C58B H58B 118.5 . . ?
C60B C59B C64B 117.0(10) . . ?
C60B C59B P3B 124.5(9) . . ?
C64B C59B P3B 118.4(8) . . ?
C59B C60B C61B 120.8(11) . . ?
C59B C60B H60B 119.6 . . ?
C61B C60B H60B 119.6 . . ?
C62B C61B C60B 120.8(11) . . ?
C62B C61B H61B 119.6 . . ?
C60B C61B H61B 119.6 . . ?
C61B C62B C63B 120.7(11) . . ?
C61B C62B H62B 119.7 . . ?
C63B C62B H62B 119.7 . . ?
C64B C63B C62B 118.9(10) . . ?
C64B C63B H63B 120.5 . . ?
C62B C63B H63B 120.5 . . ?
C63B C64B C59B 121.6(10) . . ?
C63B C64B H64B 119.2 . . ?
C59B C64B H64B 119.2 . . ?
C66B C65B C70B 118.9(10) . . ?
C66B C65B P3B 126.1(8) . . ?
C70B C65B P3B 114.9(7) . . ?
C65B C66B C67B 121.0(11) . . ?
C65B C66B H66B 119.5 . . ?
C67B C66B H66B 119.5 . . ?
C68B C67B C66B 119.1(11) . . ?
C68B C67B H67B 120.5 . . ?
C66B C67B H67B 120.5 . . ?
C69B C68B C67B 120.0(11) . . ?
C69B C68B H68B 120.0 . . ?
C67B C68B H68B 120.0 . . ?
C68B C69B C70B 121.1(11) . . ?
C68B C69B H69B 119.5 . . ?
C70B C69B H69B 119.5 . . ?
C69B C70B C65B 120.0(10) . . ?
C69B C70B H70B 120.0 . . ?
C65B C70B H70B 120.0 . . ?
C72B C71B C76B 120.4(10) . . ?
C72B C71B P4B 115.7(8) . . ?
C76B C71B P4B 123.8(9) . . ?
C71B C72B C73B 120.0(11) . . ?
C71B C72B H72B 120.0 . . ?
C73B C72B H72B 120.0 . . ?
C74B C73B C72B 120.7(12) . . ?
C74B C73B H73B 119.6 . . ?
C72B C73B H73B 119.6 . . ?
C73B C74B C75B 119.6(12) . . ?
C73B C74B H74B 120.2 . . ?
C75B C74B H74B 120.2 . . ?
C74B C75B C76B 120.8(12) . . ?
C74B C75B H75B 119.6 . . ?
C76B C75B H75B 119.6 . . ?
C71B C76B C75B 118.4(12) . . ?
C71B C76B H76B 120.8 . . ?
C75B C76B H76B 120.8 . . ?
C78B C77B C82B 117.0(10) . . ?
C78B C77B P4B 123.7(8) . . ?
C82B C77B P4B 119.3(8) . . ?
C79B C78B C77B 120.9(11) . . ?
C79B C78B H78B 119.6 . . ?
C77B C78B H78B 119.6 . . ?
C80B C79B C78B 120.7(12) . . ?
C80B C79B H79B 119.6 . . ?
C78B C79B H79B 119.6 . . ?
C79B C80B C81B 119.8(12) . . ?
C79B C80B H80B 120.1 . . ?
C81B C80B H80B 120.1 . . ?
C82B C81B C80B 119.4(11) . . ?
C82B C81B H81B 120.3 . . ?
C80B C81B H81B 120.3 . . ?
C81B C82B C77B 122.2(10) . . ?
C81B C82B H82B 118.9 . . ?
C77B C82B H82B 118.9 . . ?
C88B C83B C84B 118.2(10) . . ?
C88B C83B P4B 121.3(7) . . ?
C84B C83B P4B 120.5(8) . . ?
C85B C84B C83B 119.7(11) . . ?
C85B C84B H84B 120.2 . . ?
C83B C84B H84B 120.2 . . ?
C86B C85B C84B 120.7(11) . . ?
C86B C85B H85B 119.6 . . ?
C84B C85B H85B 119.6 . . ?
C85B C86B C87B 119.4(11) . . ?
C85B C86B H86B 120.3 . . ?
C87B C86B H86B 120.3 . . ?
C88B C87B C86B 119.8(11) . . ?
C88B C87B H87B 120.1 . . ?
C86B C87B H87B 120.1 . . ?
C87B C88B C83B 122.0(10) . . ?
C87B C88B H88B 119.0 . . ?
C83B C88B H88B 119.0 . . ?
N1C Pt1C N5C 88.4(3) . . ?
N1C Pt1C P4' 174.5(3) . . ?
N5C Pt1C P4' 86.9(3) . . ?
N1C Pt1C P3C 88.3(2) . . ?
N5C Pt1C P3C 176.6(2) . . ?
P4' Pt1C P3C 96.5(2) . . ?
N1C Pt1C P4C 171.8(3) . . ?
N5C Pt1C P4C 85.7(3) . . ?
P3C Pt1C P4C 97.7(2) . . ?
C1C Au1C P1C 177.7(3) . . ?
C27C Au2C P2C 171.3(3) . . ?
C21C P1C C9C 112.4(8) . . ?
C21C P1C C15C 103.2(7) . . ?
C9C P1C C15C 104.1(5) . . ?
C9C P1C C21E 98.3(7) . . ?
C15C P1C C21E 107.6(8) . . ?
C21C P1C Au1C 108.4(8) . . ?
C9C P1C Au1C 113.9(4) . . ?
C15C P1C Au1C 114.4(4) . . ?
C21E P1C Au1C 116.7(6) . . ?
C41C P2C C47C 109.2(5) . . ?
C41C P2C C35C 103.1(5) . . ?
C47C P2C C35C 103.1(5) . . ?
C41C P2C Au2C 114.8(3) . . ?
C47C P2C Au2C 116.6(4) . . ?
C35C P2C Au2C 108.5(4) . . ?
C53C P3C C65C 111.7(5) . . ?
C53C P3C C59C 100.9(6) . . ?
C65C P3C C59C 102.6(6) . . ?
C53C P3C Pt1C 109.7(4) . . ?
C65C P3C Pt1C 114.7(4) . . ?
C59C P3C Pt1C 116.2(4) . . ?
C71C P4C C83C 104.3(7) . . ?
C71C P4C C77C 100.9(7) . . ?
C83C P4C C77C 119.0(7) . . ?
C71C P4C Pt1C 116.2(5) . . ?
C83C P4C Pt1C 115.3(5) . . ?
C77C P4C Pt1C 100.8(6) . . ?
C77' P4' C83' 90.3(8) . . ?
C77' P4' C71C 101.7(8) . . ?
C83' P4' C71C 104.8(6) . . ?
C77' P4' Pt1C 126.4(8) . . ?
C83' P4' Pt1C 121.8(6) . . ?
C71C P4' Pt1C 108.5(4) . . ?
N2C N1C C1C 110.2(8) . . ?
N2C N1C Pt1C 117.2(6) . . ?
C1C N1C Pt1C 132.2(7) . . ?
N3C N2C N1C 107.9(8) . . ?
N2C N3C C2C 108.9(9) . . ?
O1C N4C O2C 122.9(11) . . ?
O1C N4C C6C 119.4(10) . . ?
O2C N4C C6C 117.7(10) . . ?
N6C N5C C27C 114.0(8) . . ?
N6C N5C Pt1C 115.4(6) . . ?
C27C N5C Pt1C 130.5(7) . . ?
N5C N6C N7C 105.9(8) . . ?
C28C N7C N6C 107.8(8) . . ?
O3C N8C O4C 125.0(10) . . ?
O3C N8C C32C 119.0(10) . . ?
O4C N8C C32C 116.0(10) . . ?
N1C C1C C2C 103.6(9) . . ?
N1C C1C Au1C 121.5(8) . . ?
C2C C1C Au1C 134.8(8) . . ?
N3C C2C C1C 109.4(9) . . ?
N3C C2C C3C 119.3(10) . . ?
C1C C2C C3C 131.1(10) . . ?
C8C C3C C4C 117.2(11) . . ?
C8C C3C C2C 124.5(11) . . ?
C4C C3C C2C 118.2(10) . . ?
C5C C4C C3C 120.1(12) . . ?
C5C C4C H4CA 120.0 . . ?
C3C C4C H4CA 120.0 . . ?
C6C C5C C4C 120.4(12) . . ?
C6C C5C H5CA 119.8 . . ?
C4C C5C H5CA 119.8 . . ?
C5C C6C C7C 120.2(11) . . ?
C5C C6C N4C 119.0(11) . . ?
C7C C6C N4C 120.8(10) . . ?
C6C C7C C8C 119.5(11) . . ?
C6C C7C H7CA 120.3 . . ?
C8C C7C H7CA 120.3 . . ?
C3C C8C C7C 122.5(11) . . ?
C3C C8C H8CA 118.7 . . ?
C7C C8C H8CA 118.7 . . ?
C14C C9C C10C 118.8(12) . . ?
C14C C9C P1C 123.8(10) . . ?
C10C C9C P1C 117.4(9) . . ?
C9C C10C C11C 119.9(11) . . ?
C9C C10C H10C 120.1 . . ?
C11C C10C H10C 120.1 . . ?
C12C C11C C10C 120.2(12) . . ?
C12C C11C H11C 119.9 . . ?
C10C C11C H11C 119.9 . . ?
C13C C12C C11C 120.4(13) . . ?
C13C C12C H12C 119.8 . . ?
C11C C12C H12C 119.8 . . ?
C12C C13C C14C 120.3(13) . . ?
C12C C13C H13C 119.8 . . ?
C14C C13C H13C 119.8 . . ?
C9C C14C C13C 120.2(12) . . ?
C9C C14C H14C 119.9 . . ?
C13C C14C H14C 119.9 . . ?
C20C C15C C16C 119.2(11) . . ?
C20C C15C P1C 121.1(9) . . ?
C16C C15C P1C 119.6(8) . . ?
C15C C16C C17C 120.6(11) . . ?
C15C C16C H16C 119.7 . . ?
C17C C16C H16C 119.7 . . ?
C18C C17C C16C 118.1(12) . . ?
C18C C17C H17C 120.9 . . ?
C16C C17C H17C 120.9 . . ?
C17C C18C C19C 122.2(12) . . ?
C17C C18C H18C 118.9 . . ?
C19C C18C H18C 118.9 . . ?
C18C C19C C20C 118.1(13) . . ?
C18C C19C H19C 121.0 . . ?
C20C C19C H19C 121.0 . . ?
C15C C20C C19C 121.7(12) . . ?
C15C C20C H20C 119.2 . . ?
C19C C20C H20C 119.2 . . ?
C22C C21C C26C 120.0 . . ?
C22C C21C P1C 120.3(15) . . ?
C26C C21C P1C 119.6(15) . . ?
C21C C22C C23C 120.0 . . ?
C21C C22C H22D 120.0 . . ?
C23C C22C H22D 120.0 . . ?
C24C C23C C22C 120.0 . . ?
C24C C23C H23D 120.0 . . ?
C22C C23C H23D 120.0 . . ?
C23C C24C C25C 120.0 . . ?
C23C C24C H24D 120.0 . . ?
C25C C24C H24D 120.0 . . ?
C26C C25C C24C 120.0 . . ?
C26C C25C H25D 120.0 . . ?
C24C C25C H25D 120.0 . . ?
C25C C26C C21C 120.0 . . ?
C25C C26C H26D 120.0 . . ?
C21C C26C H26D 120.0 . . ?
C22E C21E C26E 120.0 . . ?
C22E C21E P1C 128.3(10) . . ?
C26E C21E P1C 111.6(10) . . ?
C23E C22E C21E 120.0 . . ?
C23E C22E H22E 120.0 . . ?
C21E C22E H22E 120.0 . . ?
C22E C23E C24E 120.0 . . ?
C22E C23E H23E 120.0 . . ?
C24E C23E H23E 120.0 . . ?
C25E C24E C23E 120.0 . . ?
C25E C24E H24E 120.0 . . ?
C23E C24E H24E 120.0 . . ?
C26E C25E C24E 120.0 . . ?
C26E C25E H25E 120.0 . . ?
C24E C25E H25E 120.0 . . ?
C25E C26E C21E 120.0 . . ?
C25E C26E H26E 120.0 . . ?
C21E C26E H26E 120.0 . . ?
N5C C27C C28C 100.9(9) . . ?
N5C C27C Au2C 125.9(7) . . ?
C28C C27C Au2C 133.1(7) . . ?
N7C C28C C27C 111.2(8) . . ?
N7C C28C C29C 119.0(9) . . ?
C27C C28C C29C 129.8(9) . . ?
C30C C29C C34C 115.1(9) . . ?
C30C C29C C28C 126.1(10) . . ?
C34C C29C C28C 118.8(9) . . ?
C29C C30C C31C 123.0(11) . . ?
C29C C30C H30C 118.5 . . ?
C31C C30C H30C 118.5 . . ?
C32C C31C C30C 119.2(11) . . ?
C32C C31C H31C 120.4 . . ?
C30C C31C H31C 120.4 . . ?
C31C C32C C33C 121.6(10) . . ?
C31C C32C N8C 120.5(10) . . ?
C33C C32C N8C 117.9(11) . . ?
C32C C33C C34C 118.6(11) . . ?
C32C C33C H33C 120.7 . . ?
C34C C33C H33C 120.7 . . ?
C33C C34C C29C 122.4(10) . . ?
C33C C34C H34C 118.8 . . ?
C29C C34C H34C 118.8 . . ?
C36C C35C C40C 116.5(11) . . ?
C36C C35C P2C 121.3(9) . . ?
C40C C35C P2C 122.0(9) . . ?
C35C C36C C37C 125.0(11) . . ?
C35C C36C H36C 117.5 . . ?
C37C C36C H36C 117.5 . . ?
C38C C37C C36C 117.7(12) . . ?
C38C C37C H37C 121.2 . . ?
C36C C37C H37C 121.2 . . ?
C39C C38C C37C 119.3(12) . . ?
C39C C38C H38C 120.4 . . ?
C37C C38C H38C 120.4 . . ?
C38C C39C C40C 122.1(13) . . ?
C38C C39C H39C 119.0 . . ?
C40C C39C H39C 119.0 . . ?
C35C C40C C39C 119.3(13) . . ?
C35C C40C H40C 120.4 . . ?
C39C C40C H40C 120.4 . . ?
C42C C41C C46C 120.0 . . ?
C42C C41C P2C 123.1(5) . . ?
C46C C41C P2C 116.7(5) . . ?
C43C C42C C41C 120.0 . . ?
C43C C42C H42C 120.0 . . ?
C41C C42C H42C 120.0 . . ?
C42C C43C C44C 120.0 . . ?
C42C C43C H43C 120.0 . . ?
C44C C43C H43C 120.0 . . ?
C45C C44C C43C 120.0 . . ?
C45C C44C H44C 120.0 . . ?
C43C C44C H44C 120.0 . . ?
C44C C45C C46C 120.0 . . ?
C44C C45C H45C 120.0 . . ?
C46C C45C H45C 120.0 . . ?
C45C C46C C41C 120.0 . . ?
C45C C46C H46C 120.0 . . ?
C41C C46C H46C 120.0 . . ?
C52C C47C C48C 118.2(12) . . ?
C52C C47C P2C 118.9(9) . . ?
C48C C47C P2C 122.3(10) . . ?
C49C C48C C47C 120.6(13) . . ?
C49C C48C H48C 119.7 . . ?
C47C C48C H48C 119.7 . . ?
C48C C49C C50C 118.7(13) . . ?
C48C C49C H49C 120.6 . . ?
C50C C49C H49C 120.6 . . ?
C51C C50C C49C 123.6(14) . . ?
C51C C50C H50C 118.2 . . ?
C49C C50C H50C 118.2 . . ?
C50C C51C C52C 117.3(14) . . ?
C50C C51C H51C 121.4 . . ?
C52C C51C H51C 121.4 . . ?
C47C C52C C51C 121.6(12) . . ?
C47C C52C H52C 119.2 . . ?
C51C C52C H52C 119.2 . . ?
C54C C53C C58C 118.0(11) . . ?
C54C C53C P3C 119.4(8) . . ?
C58C C53C P3C 122.5(10) . . ?
C53C C54C C55C 122.9(11) . . ?
C53C C54C H54C 118.6 . . ?
C55C C54C H54C 118.6 . . ?
C56C C55C C54C 117.1(13) . . ?
C56C C55C H55C 121.4 . . ?
C54C C55C H55C 121.4 . . ?
C57C C56C C55C 120.9(13) . . ?
C57C C56C H56C 119.5 . . ?
C55C C56C H56C 119.5 . . ?
C56C C57C C58C 120.3(13) . . ?
C56C C57C H57C 119.9 . . ?
C58C C57C H57C 119.9 . . ?
C57C C58C C53C 120.6(13) . . ?
C57C C58C H58C 119.7 . . ?
C53C C58C H58C 119.7 . . ?
C60C C59C C64C 121.4(12) . . ?
C60C C59C P3C 119.0(11) . . ?
C64C C59C P3C 119.5(11) . . ?
C59C C60C C61C 119.5(16) . . ?
C59C C60C H60C 120.3 . . ?
C61C C60C H60C 120.3 . . ?
C62C C61C C60C 121(2) . . ?
C62C C61C H61C 119.7 . . ?
C60C C61C H61C 119.7 . . ?
C63C C62C C61C 120.2(19) . . ?
C63C C62C H62C 119.9 . . ?
C61C C62C H62C 119.9 . . ?
C62C C63C C64C 123.3(19) . . ?
C62C C63C H63C 118.4 . . ?
C64C C63C H63C 118.4 . . ?
C59C C64C C63C 115.0(16) . . ?
C59C C64C H64C 122.5 . . ?
C63C C64C H64C 122.5 . . ?
C70C C65C C66C 116.7(12) . . ?
C70C C65C P3C 113.3(8) . . ?
C66C C65C P3C 129.9(11) . . ?
C67C C66C C65C 123.4(14) . . ?
C67C C66C H66C 118.3 . . ?
C65C C66C H66C 118.3 . . ?
C66C C67C C68C 120.0(13) . . ?
C66C C67C H67C 120.0 . . ?
C68C C67C H67C 120.0 . . ?
C67C C68C C69C 121.2(14) . . ?
C67C C68C H68C 119.4 . . ?
C69C C68C H68C 119.4 . . ?
C68C C69C C70C 116.3(15) . . ?
C68C C69C H69C 121.9 . . ?
C70C C69C H69C 121.9 . . ?
C65C C70C C69C 122.0(12) . . ?
C65C C70C H70C 119.0 . . ?
C69C C70C H70C 119.0 . . ?
C72C C71C C76C 117.3(11) . . ?
C72C C71C P4C 124.4(9) . . ?
C76C C71C P4C 118.2(9) . . ?
C72C C71C P4' 117.2(9) . . ?
C76C C71C P4' 125.4(9) . . ?
P4C C71C P4' 7.3(4) . . ?
C71C C72C C73C 122.7(13) . . ?
C71C C72C H72C 118.7 . . ?
C73C C72C H72C 118.7 . . ?
C74C C73C C72C 119.3(14) . . ?
C74C C73C H73C 120.3 . . ?
C72C C73C H73C 120.3 . . ?
C73C C74C C75C 119.2(14) . . ?
C73C C74C H74C 120.4 . . ?
C75C C74C H74C 120.4 . . ?
C74C C75C C76C 120.6(14) . . ?
C74C C75C H75C 119.7 . . ?
C76C C75C H75C 119.7 . . ?
C71C C76C C75C 120.8(13) . . ?
C71C C76C H76C 119.6 . . ?
C75C C76C H76C 119.6 . . ?
C78C C77C C82C 120.0 . . ?
C78C C77C P4C 125.9(9) . . ?
C82C C77C P4C 113.9(9) . . ?
C79C C78C C77C 120.0 . . ?
C79C C78C H78C 120.0 . . ?
C77C C78C H78C 120.0 . . ?
C78C C79C C80C 120.0 . . ?
C78C C79C H79C 120.0 . . ?
C80C C79C H79C 120.0 . . ?
C81C C80C C79C 120.0 . . ?
C81C C80C H80C 120.0 . . ?
C79C C80C H80C 120.0 . . ?
C80C C81C C82C 120.0 . . ?
C80C C81C H81C 120.0 . . ?
C82C C81C H81C 120.0 . . ?
C81C C82C C77C 120.0 . . ?
C81C C82C H82C 120.0 . . ?
C77C C82C H82C 120.0 . . ?
C78' C77' C82' 120.0 . . ?
C78' C77' P4' 113.6(10) . . ?
C82' C77' P4' 126.0(10) . . ?
C79' C78' C77' 120.0 . . ?
C79' C78' H78D 120.0 . . ?
C77' C78' H78D 120.0 . . ?
C78' C79' C80' 120.0 . . ?
C78' C79' H79D 120.0 . . ?
C80' C79' H79D 120.0 . . ?
C81' C80' C79' 120.0 . . ?
C81' C80' H80D 120.0 . . ?
C79' C80' H80D 120.0 . . ?
C82' C81' C80' 120.0 . . ?
C82' C81' H81D 120.0 . . ?
C80' C81' H81D 120.0 . . ?
C81' C82' C77' 120.0 . . ?
C81' C82' H82D 120.0 . . ?
C77' C82' H82D 120.0 . . ?
C84C C83C C88C 120.0 . . ?
C84C C83C P4C 125.1(7) . . ?
C88C C83C P4C 114.9(7) . . ?
C85C C84C C83C 120.0 . . ?
C85C C84C H84C 120.0 . . ?
C83C C84C H84C 120.0 . . ?
C86C C85C C84C 120.0 . . ?
C86C C85C H85C 120.0 . . ?
C84C C85C H85C 120.0 . . ?
C85C C86C C87C 120.0 . . ?
C85C C86C H86C 120.0 . . ?
C87C C86C H86C 120.0 . . ?
C86C C87C C88C 120.0 . . ?
C86C C87C H87C 120.0 . . ?
C88C C87C H87C 120.0 . . ?
C87C C88C C83C 120.0 . . ?
C87C C88C H88C 120.0 . . ?
C83C C88C H88C 120.0 . . ?
C84' C83' C88' 120.0 . . ?
C84' C83' P4' 117.7(8) . . ?
C88' C83' P4' 122.2(8) . . ?
C85' C84' C83' 120.0 . . ?
C85' C84' H84D 120.0 . . ?
C83' C84' H84D 120.0 . . ?
C86' C85' C84' 120.0 . . ?
C86' C85' H85D 120.0 . . ?
C84' C85' H85D 120.0 . . ?
C85' C86' C87' 120.0 . . ?
C85' C86' H86D 120.0 . . ?
C87' C86' H86D 120.0 . . ?
C88' C87' C86' 120.0 . . ?
C88' C87' H87D 120.0 . . ?
C86' C87' H87D 120.0 . . ?
C87' C88' C83' 120.0 . . ?
C87' C88' H88D 120.0 . . ?
C83' C88' H88D 120.0 . . ?
N1D Pt1D N5D 87.4(3) . . ?
N1D Pt1D P4D 174.5(2) . . ?
N5D Pt1D P4D 87.2(2) . . ?
N1D Pt1D P3D 88.5(2) . . ?
N5D Pt1D P3D 175.7(2) . . ?
P4D Pt1D P3D 96.97(9) . . ?
C1D Au1D P1D 172.1(3) . . ?
C27D Au2D P2D 172.0(3) . . ?
C9D P1D C15D 104.2(5) . . ?
C9D P1D C21D 107.6(5) . . ?
C15D P1D C21D 106.8(4) . . ?
C9D P1D Au1D 108.8(3) . . ?
C15D P1D Au1D 116.0(4) . . ?
C21D P1D Au1D 112.8(3) . . ?
C47D P2D C35D 112.4(5) . . ?
C47D P2D C41D 107.6(5) . . ?
C35D P2D C41D 98.9(5) . . ?
C47D P2D C35' 88.7(8) . . ?
C35D P2D C35' 23.8(8) . . ?
C41D P2D C35' 109.5(8) . . ?
C47D P2D Au2D 110.5(4) . . ?
C35D P2D Au2D 108.7(4) . . ?
C41D P2D Au2D 118.2(4) . . ?
C35' P2D Au2D 117.9(7) . . ?
C65D P3D C59D 103.4(4) . . ?
C65D P3D C53D 100.4(4) . . ?
C59D P3D C53D 104.4(4) . . ?
C65D P3D Pt1D 115.4(3) . . ?
C59D P3D Pt1D 118.7(3) . . ?
C53D P3D Pt1D 112.4(3) . . ?
C83D P4D C77D 113.1(4) . . ?
C83D P4D C71D 100.5(4) . . ?
C77D P4D C71D 103.1(4) . . ?
C83D P4D Pt1D 112.0(3) . . ?
C77D P4D Pt1D 112.7(3) . . ?
C71D P4D Pt1D 114.5(3) . . ?
N2D N1D C1D 110.4(7) . . ?
N2D N1D Pt1D 121.5(6) . . ?
C1D N1D Pt1D 128.0(6) . . ?
N3D N2D N1D 107.3(7) . . ?
N2D N3D C2D 108.8(8) . . ?
O2D N4D O1D 123.1(18) . . ?
O2D N4D O1D' 113.1(19) . . ?
O1D N4D O1D' 35.2(13) . . ?
O2D N4D O2D' 16.4(17) . . ?
O1D N4D O2D' 131.9(17) . . ?
O1D' N4D O2D' 129.0(19) . . ?
O2D N4D C6D 123.1(17) . . ?
O1D N4D C6D 113.6(13) . . ?
O1D' N4D C6D 115.5(15) . . ?
O2D' N4D C6D 111.3(14) . . ?
C27D N5D N6D 113.0(8) . . ?
C27D N5D Pt1D 129.9(7) . . ?
N6D N5D Pt1D 116.9(6) . . ?
N7D N6D N5D 106.9(8) . . ?
N6D N7D C28D 107.8(8) . . ?
O4D' N8D O4D 21.6(14) . . ?
O4D' N8D O3D 114.6(16) . . ?
O4D N8D O3D 129.2(18) . . ?
O4D' N8D O3D' 120.3(13) . . ?
O4D N8D O3D' 119.3(14) . . ?
O3D N8D O3D' 38.7(12) . . ?
O4D' N8D C32D 122.3(12) . . ?
O4D N8D C32D 117.6(13) . . ?
O3D N8D C32D 111.0(14) . . ?
O3D' N8D C32D 117.3(10) . . ?
C2D C1D N1D 101.8(8) . . ?
C2D C1D Au1D 138.3(7) . . ?
N1D C1D Au1D 119.6(6) . . ?
C1D C2D N3D 111.6(8) . . ?
C1D C2D C3D 128.6(9) . . ?
N3D C2D C3D 119.6(9) . . ?
C4D C3D C8D 116.9(10) . . ?
C4D C3D C2D 121.2(10) . . ?
C8D C3D C2D 121.9(9) . . ?
C3D C4D C5D 122.6(12) . . ?
C3D C4D H4DA 118.7 . . ?
C5D C4D H4DA 118.7 . . ?
C6D C5D C4D 118.2(12) . . ?
C6D C5D H5DA 120.9 . . ?
C4D C5D H5DA 120.9 . . ?
C5D C6D C7D 122.8(11) . . ?
C5D C6D N4D 119.1(11) . . ?
C7D C6D N4D 118.1(11) . . ?
C8D C7D C6D 115.9(11) . . ?
C8D C7D H7DA 122.0 . . ?
C6D C7D H7DA 122.0 . . ?
C7D C8D C3D 123.7(10) . . ?
C7D C8D H8DA 118.2 . . ?
C3D C8D H8DA 118.2 . . ?
C14D C9D C10D 117.5(10) . . ?
C14D C9D P1D 118.5(9) . . ?
C10D C9D P1D 124.0(8) . . ?
C11D C10D C9D 120.1(10) . . ?
C11D C10D H10D 119.9 . . ?
C9D C10D H10D 119.9 . . ?
C12D C11D C10D 120.8(11) . . ?
C12D C11D H11D 119.6 . . ?
C10D C11D H11D 119.6 . . ?
C13D C12D C11D 120.1(11) . . ?
C13D C12D H12D 119.9 . . ?
C11D C12D H12D 119.9 . . ?
C12D C13D C14D 120.6(11) . . ?
C12D C13D H13D 119.7 . . ?
C14D C13D H13D 119.7 . . ?
C13D C14D C9D 120.7(11) . . ?
C13D C14D H14D 119.6 . . ?
C9D C14D H14D 119.6 . . ?
C20D C15D C16D 118.2(10) . . ?
C20D C15D P1D 118.6(8) . . ?
C16D C15D P1D 123.0(9) . . ?
C17D C16D C15D 122.9(11) . . ?
C17D C16D H16D 118.6 . . ?
C15D C16D H16D 118.6 . . ?
C16D C17D C18D 118.9(11) . . ?
C16D C17D H17D 120.5 . . ?
C18D C17D H17D 120.5 . . ?
C19D C18D C17D 119.6(10) . . ?
C19D C18D H18D 120.2 . . ?
C17D C18D H18D 120.2 . . ?
C18D C19D C20D 119.5(10) . . ?
C18D C19D H19D 120.3 . . ?
C20D C19D H19D 120.3 . . ?
C15D C20D C19D 120.9(10) . . ?
C15D C20D H20D 119.5 . . ?
C19D C20D H20D 119.5 . . ?
C26D C21D C22D 121.2(9) . . ?
C26D C21D P1D 116.7(8) . . ?
C22D C21D P1D 122.0(8) . . ?
C21D C22D C23D 120.3(10) . . ?
C21D C22D H22C 119.9 . . ?
C23D C22D H22C 119.9 . . ?
C24D C23D C22D 118.9(11) . . ?
C24D C23D H23C 120.5 . . ?
C22D C23D H23C 120.5 . . ?
C23D C24D C25D 120.6(10) . . ?
C23D C24D H24C 119.7 . . ?
C25D C24D H24C 119.7 . . ?
C24D C25D C26D 119.7(10) . . ?
C24D C25D H25C 120.2 . . ?
C26D C25D H25C 120.2 . . ?
C21D C26D C25D 119.2(10) . . ?
C21D C26D H26C 120.4 . . ?
C25D C26D H26C 120.4 . . ?
N5D C27D C28D 102.7(8) . . ?
N5D C27D Au2D 123.8(7) . . ?
C28D C27D Au2D 133.3(8) . . ?
N7D C28D C27D 109.4(8) . . ?
N7D C28D C29D 120.1(8) . . ?
C27D C28D C29D 130.4(9) . . ?
C30D C29D C34D 117.8(10) . . ?
C30D C29D C28D 121.3(9) . . ?
C34D C29D C28D 120.8(10) . . ?
C31D C30D C29D 121.7(10) . . ?
C31D C30D H30D 119.2 . . ?
C29D C30D H30D 119.2 . . ?
C30D C31D C32D 119.2(10) . . ?
C30D C31D H31D 120.4 . . ?
C32D C31D H31D 120.4 . . ?
C33D C32D C31D 120.1(10) . . ?
C33D C32D N8D 121.2(9) . . ?
C31D C32D N8D 118.7(10) . . ?
C34D C33D C32D 119.7(9) . . ?
C34D C33D H33D 120.1 . . ?
C32D C33D H33D 120.1 . . ?
C33D C34D C29D 121.2(10) . . ?
C33D C34D H34D 119.4 . . ?
C29D C34D H34D 119.4 . . ?
C36D C35D C40D 120.0 . . ?
C36D C35D P2D 117.5(6) . . ?
C40D C35D P2D 121.8(6) . . ?
C35D C36D C37D 120.0 . . ?
C35D C36D H36D 120.0 . . ?
C37D C36D H36D 120.0 . . ?
C36D C37D C38D 120.0 . . ?
C36D C37D H37D 120.0 . . ?
C38D C37D H37D 120.0 . . ?
C39D C38D C37D 120.0 . . ?
C39D C38D H38D 120.0 . . ?
C37D C38D H38D 120.0 . . ?
C38D C39D C40D 120.0 . . ?
C38D C39D H39D 120.0 . . ?
C40D C39D H39D 120.0 . . ?
C39D C40D C35D 120.0 . . ?
C39D C40D H40D 120.0 . . ?
C35D C40D H40D 120.0 . . ?
Cl1E C27E Cl2E 106.9(16) . . ?
Cl1E C27E H27A 110.3 . . ?
Cl2E C27E H27A 110.3 . . ?
Cl1E C27E H27B 110.3 . . ?
Cl2E C27E H27B 110.3 . . ?
H27A C27E H27B 108.6 . . ?
C36' C35' C40' 120.0 . . ?
C36' C35' P2D 123.8(13) . . ?
C40' C35' P2D 116.1(13) . . ?
C35' C36' C37' 120.0 . . ?
C35' C36' H36E 120.0 . . ?
C37' C36' H36E 120.0 . . ?
C38' C37' C36' 120.0 . . ?
C38' C37' H37E 120.0 . . ?
C36' C37' H37E 120.0 . . ?
C37' C38' C39' 120.0 . . ?
C37' C38' H38E 120.0 . . ?
C39' C38' H38E 120.0 . . ?
C40' C39' C38' 120.0 . . ?
C40' C39' H39E 120.0 . . ?
C38' C39' H39E 120.0 . . ?
C39' C40' C35' 120.0 . . ?
C39' C40' H40E 120.0 . . ?
C35' C40' H40E 120.0 . . ?
C42D C41D C46D 117.9(11) . . ?
C42D C41D P2D 119.8(9) . . ?
C46D C41D P2D 122.2(9) . . ?
C43D C42D C41D 121.2(11) . . ?
C43D C42D H42D 119.4 . . ?
C41D C42D H42D 119.4 . . ?
C42D C43D C44D 120.7(13) . . ?
C42D C43D H43D 119.6 . . ?
C44D C43D H43D 119.6 . . ?
C45D C44D C43D 119.8(13) . . ?
C45D C44D H44D 120.1 . . ?
C43D C44D H44D 120.1 . . ?
C44D C45D C46D 119.5(13) . . ?
C44D C45D H45D 120.3 . . ?
C46D C45D H45D 120.3 . . ?
C41D C46D C45D 120.5(12) . . ?
C41D C46D H46D 119.7 . . ?
C45D C46D H46D 119.7 . . ?
C52D C47D C48D 117.2(14) . . ?
C52D C47D P2D 119.4(10) . . ?
C48D C47D P2D 123.4(11) . . ?
C49D C48D C47D 122.1(15) . . ?
C49D C48D H48D 118.9 . . ?
C47D C48D H48D 118.9 . . ?
C48D C49D C50D 120.1(14) . . ?
C48D C49D H49D 120.0 . . ?
C50D C49D H49D 120.0 . . ?
C51D C50D C49D 119.0(14) . . ?
C51D C50D H50D 120.5 . . ?
C49D C50D H50D 120.5 . . ?
C52D C51D C50D 118.7(13) . . ?
C52D C51D H51D 120.7 . . ?
C50D C51D H51D 120.7 . . ?
C47D C52D C51D 122.9(12) . . ?
C47D C52D H52D 118.6 . . ?
C51D C52D H52D 118.6 . . ?
C58D C53D C54D 117.8(9) . . ?
C58D C53D P3D 120.0(7) . . ?
C54D C53D P3D 122.1(7) . . ?
C55D C54D C53D 120.6(9) . . ?
C55D C54D H54D 119.7 . . ?
C53D C54D H54D 119.7 . . ?
C56D C55D C54D 119.7(10) . . ?
C56D C55D H55D 120.2 . . ?
C54D C55D H55D 120.2 . . ?
C55D C56D C57D 121.4(10) . . ?
C55D C56D H56D 119.3 . . ?
C57D C56D H56D 119.3 . . ?
C58D C57D C56D 118.7(9) . . ?
C58D C57D H57D 120.7 . . ?
C56D C57D H57D 120.7 . . ?
C57D C58D C53D 121.9(10) . . ?
C57D C58D H58D 119.1 . . ?
C53D C58D H58D 119.1 . . ?
C64D C59D C60D 116.2(8) . . ?
C64D C59D P3D 121.9(8) . . ?
C60D C59D P3D 122.0(7) . . ?
C61D C60D C59D 120.3(10) . . ?
C61D C60D H60D 119.8 . . ?
C59D C60D H60D 119.8 . . ?
C60D C61D C62D 121.8(10) . . ?
C60D C61D H61D 119.1 . . ?
C62D C61D H61D 119.1 . . ?
C63D C62D C61D 118.7(9) . . ?
C63D C62D H62D 120.6 . . ?
C61D C62D H62D 120.6 . . ?
C62D C63D C64D 120.2(10) . . ?
C62D C63D H63D 119.9 . . ?
C64D C63D H63D 119.9 . . ?
C63D C64D C59D 122.6(10) . . ?
C63D C64D H64D 118.7 . . ?
C59D C64D H64D 118.7 . . ?
C70D C65D C66D 115.9(10) . . ?
C70D C65D P3D 125.5(8) . . ?
C66D C65D P3D 118.3(7) . . ?
C67D C66D C65D 122.3(9) . . ?
C67D C66D H66D 118.9 . . ?
C65D C66D H66D 118.9 . . ?
C68D C67D C66D 119.6(9) . . ?
C68D C67D H67D 120.2 . . ?
C66D C67D H67D 120.2 . . ?
C69D C68D C67D 119.5(10) . . ?
C69D C68D H68D 120.2 . . ?
C67D C68D H68D 120.2 . . ?
C68D C69D C70D 121.2(10) . . ?
C68D C69D H69D 119.4 . . ?
C70D C69D H69D 119.4 . . ?
C65D C70D C69D 121.3(10) . . ?
C65D C70D H70D 119.3 . . ?
C69D C70D H70D 119.3 . . ?
C72D C71D C76D 119.8(9) . . ?
C72D C71D P4D 122.4(7) . . ?
C76D C71D P4D 117.8(8) . . ?
C73D C72D C71D 118.9(10) . . ?
C73D C72D H72D 120.5 . . ?
C71D C72D H72D 120.5 . . ?
C72D C73D C74D 121.8(11) . . ?
C72D C73D H73D 119.1 . . ?
C74D C73D H73D 119.1 . . ?
C73D C74D C75D 119.1(11) . . ?
C73D C74D H74D 120.4 . . ?
C75D C74D H74D 120.4 . . ?
C76D C75D C74D 119.1(11) . . ?
C76D C75D H75D 120.5 . . ?
C74D C75D H75D 120.5 . . ?
C71D C76D C75D 121.2(11) . . ?
C71D C76D H76D 119.4 . . ?
C75D C76D H76D 119.4 . . ?
C82D C77D C78D 119.1(9) . . ?
C82D C77D P4D 126.0(8) . . ?
C78D C77D P4D 114.9(7) . . ?
C79D C78D C77D 119.9(9) . . ?
C79D C78D H78E 120.1 . . ?
C77D C78D H78E 120.1 . . ?
C78D C79D C80D 121.3(11) . . ?
C78D C79D H79E 119.4 . . ?
C80D C79D H79E 119.4 . . ?
C79D C80D C81D 120.3(10) . . ?
C79D C80D H80E 119.9 . . ?
C81D C80D H80E 119.9 . . ?
C80D C81D C82D 118.1(9) . . ?
C80D C81D H81E 121.0 . . ?
C82D C81D H81E 121.0 . . ?
C77D C82D C81D 121.3(10) . . ?
C77D C82D H82E 119.3 . . ?
C81D C82D H82E 119.3 . . ?
C84D C83D C88D 117.8(9) . . ?
C84D C83D P4D 124.3(8) . . ?
C88D C83D P4D 117.8(7) . . ?
C85D C84D C83D 121.0(10) . . ?
C85D C84D H84E 119.5 . . ?
C83D C84D H84E 119.5 . . ?
C86D C85D C84D 120.3(9) . . ?
C86D C85D H85E 119.8 . . ?
C84D C85D H85E 119.8 . . ?
C85D C86D C87D 121.6(10) . . ?
C85D C86D H86E 119.2 . . ?
C87D C86D H86E 119.2 . . ?
C88D C87D C86D 118.5(10) . . ?
C88D C87D H87E 120.8 . . ?
C86D C87D H87E 120.8 . . ?
C87D C88D C83D 120.7(9) . . ?
C87D C88D H88E 119.6 . . ?
C83D C88D H88E 119.6 . . ?
Cl1 C89 Cl2 111.5(7) . . ?
Cl1 C89 H89A 109.3 . . ?
Cl2 C89 H89A 109.3 . . ?
Cl1 C89 H89B 109.3 . . ?
Cl2 C89 H89B 109.3 . . ?
H89A C89 H89B 108.0 . . ?
Cl4 C90 Cl3' 109.8(13) . . ?
Cl4 C90 Cl3 110.8(12) . . ?
Cl3' C90 Cl3 8.9(13) . . ?
Cl4 C90 Cl4' 2.5(13) . . ?
Cl3' C90 Cl4' 112.1(12) . . ?
Cl3 C90 Cl4' 113.2(10) . . ?
Cl4 C90 H90A 109.5 . . ?
Cl3' C90 H90A 117.4 . . ?
Cl3 C90 H90A 109.5 . . ?
Cl4' C90 H90A 108.8 . . ?
Cl4 C90 H90B 109.5 . . ?
Cl3' C90 H90B 102.2 . . ?
Cl3 C90 H90B 109.5 . . ?
Cl4' C90 H90B 107.7 . . ?
H90A C90 H90B 108.1 . . ?
Cl4 C90 H90C 112.2 . . ?
Cl3' C90 H90C 109.2 . . ?
Cl3 C90 H90C 115.8 . . ?
Cl4' C90 H90C 110.1 . . ?
H90A C90 H90C 98.3 . . ?
H90B C90 H90C 9.9 . . ?
Cl4 C90 H90D 108.6 . . ?
Cl3' C90 H90D 109.3 . . ?
Cl3 C90 H90D 100.9 . . ?
Cl4' C90 H90D 108.3 . . ?
H90A C90 H90D 10.3 . . ?
H90B C90 H90D 117.3 . . ?
H90C C90 H90D 107.7 . . ?
Cl5 C91 Cl6 108.7(14) . . ?
Cl5 C91 H91A 109.9 . . ?
Cl6 C91 H91A 109.9 . . ?
Cl5 C91 H91B 109.9 . . ?
Cl6 C91 H91B 109.9 . . ?
H91A C91 H91B 108.3 . . ?
Cl7 C92 Cl8 108.4(15) . . ?
Cl7 C92 H92A 110.0 . . ?
Cl8 C92 H92A 110.0 . . ?
Cl7 C92 H92B 110.0 . . ?
Cl8 C92 H92B 110.0 . . ?
H92A C92 H92B 108.4 . . ?
Cl9 C93 Cl10 108.4(14) . . ?
Cl9 C93 H93M 110.0 . . ?
Cl10 C93 H93M 110.0 . . ?
Cl9 C93 H93N 110.0 . . ?
Cl10 C93 H93N 110.0 . . ?
H93M C93 H93N 108.4 . . ?
Cl11 C94 Cl12 112.6(14) . . ?
Cl11 C94 H94M 109.1 . . ?
Cl12 C94 H94M 109.1 . . ?
Cl11 C94 H94N 109.1 . . ?
Cl12 C94 H94N 109.1 . . ?
H94M C94 H94N 107.8 . . ?
Cl13 C95 Cl14 113.1(19) . . ?
Cl13 C95 H95A 109.0 . . ?
Cl14 C95 H95A 109.0 . . ?
Cl13 C95 H95B 109.0 . . ?
Cl14 C95 H95B 109.0 . . ?
H95A C95 H95B 107.8 . . ?
Cl15 C96 Cl16 125(2) . . ?
Cl15 C96 H97A 106.1 . . ?
Cl16 C96 H97A 106.1 . . ?
Cl15 C96 H97B 106.1 . . ?
Cl16 C96 H97B 106.1 . . ?
H97A C96 H97B 106.3 . . ?
Cl17 C97 Cl18 102.1(11) . . ?
Cl17 C97 H97C 111.4 . . ?
Cl18 C97 H97C 111.4 . . ?
Cl17 C97 H97D 111.4 . . ?
Cl18 C97 H97D 111.4 . . ?
H97C C97 H97D 109.2 . . ?
C912 C911 H91D 109.5 . . ?
C912 C911 H91E 109.5 . . ?
H91D C911 H91E 109.5 . . ?
C912 C911 H91F 109.5 . . ?
H91D C911 H91F 109.5 . . ?
H91E C911 H91F 109.5 . . ?
C911 C912 C913 98.4 . . ?
C911 C912 H91G 112.1 . . ?
C913 C912 H91G 112.1 . . ?
C911 C912 H91H 112.1 . . ?
C913 C912 H91H 112.1 . . ?
H91G C912 H91H 109.7 . . ?
C914 C913 C912 98.8 . . ?
C914 C913 H91I 112.0 . . ?
C912 C913 H91I 112.0 . . ?
C914 C913 H91J 112.0 . . ?
C912 C913 H91J 112.0 . . ?
H91I C913 H91J 109.7 . . ?
C913 C914 C915 99.4 . . ?
C913 C914 H91K 111.9 . . ?
C915 C914 H91K 111.9 . . ?
C913 C914 H91L 111.9 . . ?
C915 C914 H91L 111.9 . . ?
H91K C914 H91L 109.6 . . ?
C914 C915 H91M 109.5 . . ?
C914 C915 H91N 109.5 . . ?
H91M C915 H91N 109.5 . . ?
C914 C915 H91O 109.5 . . ?
H91M C915 H91O 109.5 . . ?
H91N C915 H91O 109.5 . . ?
C922 C921 H92G 109.5 . . ?
C922 C921 H92H 109.5 . . ?
H92G C921 H92H 109.5 . . ?
C922 C921 H92I 109.5 . . ?
H92G C921 H92I 109.5 . . ?
H92H C921 H92I 109.5 . . ?
C923 C922 C921 99.4 . . ?
C923 C922 h92m 111.9 . . ?
C921 C922 h92m 111.9 . . ?
C923 C922 h92n 111.9 . . ?
C921 C922 h92n 111.9 . . ?
h92m C922 h92n 109.6 . . ?
C922 C923 C924 98.8 . . ?
C922 C923 H92C 112.0 . . ?
C924 C923 H92C 112.0 . . ?
C922 C923 H92D 112.0 . . ?
C924 C923 H92D 112.0 . . ?
H92C C923 H92D 109.7 . . ?
C925 C924 C923 98.4 . . ?
C925 C924 H92E 112.1 . . ?
C923 C924 H92E 112.1 . . ?
C925 C924 H92F 112.1 . . ?
C923 C924 H92F 112.1 . . ?
H92E C924 H92F 109.7 . . ?
C924 C925 H92J 109.5 . . ?
C924 C925 H92K 109.5 . . ?
H92J C925 H92K 109.5 . . ?
C924 C925 H92L 109.5 . . ?
H92J C925 H92L 109.5 . . ?
H92K C925 H92L 109.5 . . ?
C932 C931 H93G 109.5 . . ?
C932 C931 H93H 109.5 . . ?
H93G C931 H93H 109.5 . . ?
C932 C931 H93I 109.5 . . ?
H93G C931 H93I 109.5 . . ?
H93H C931 H93I 109.5 . . ?
C931 C932 C933 98.4 . . ?
C931 C932 H93A 112.1 . . ?
C933 C932 H93A 112.1 . . ?
C931 C932 H93B 112.1 . . ?
C933 C932 H93B 112.1 . . ?
H93A C932 H93B 109.7 . . ?
C934 C933 C932 98.8 . . ?
C934 C933 H93C 112.0 . . ?
C932 C933 H93C 112.0 . . ?
C934 C933 H93D 112.0 . . ?
C932 C933 H93D 112.0 . . ?
H93C C933 H93D 109.7 . . ?
C933 C934 C935 99.4 . . ?
C933 C934 H93E 111.9 . . ?
C935 C934 H93E 111.9 . . ?
C933 C934 H93F 111.9 . . ?
C935 C934 H93F 111.9 . . ?
H93E C934 H93F 109.6 . . ?
C934 C935 H93J 109.5 . . ?
C934 C935 H93K 109.5 . . ?
H93J C935 H93K 109.5 . . ?
C934 C935 H93L 109.5 . . ?
H93J C935 H93L 109.5 . . ?
H93K C935 H93L 109.5 . . ?
C902 C901 H90K 109.5 . . ?
C902 C901 H90L 109.5 . . ?
H90K C901 H90L 109.5 . . ?
C902 C901 H90M 109.5 . . ?
H90K C901 H90M 109.5 . . ?
H90L C901 H90M 109.5 . . ?
C901 C902 C903 98.4 . . ?
C901 C902 H90E 112.1 . . ?
C903 C902 H90E 112.1 . . ?
C901 C902 H90F 112.1 . . ?
C903 C902 H90F 112.1 . . ?
H90E C902 H90F 109.7 . . ?
C904 C903 C902 98.8 . . ?
C904 C903 H90G 112.0 . . ?
C902 C903 H90G 112.0 . . ?
C904 C903 H90H 112.0 . . ?
C902 C903 H90H 112.0 . . ?
H90G C903 H90H 109.7 . . ?
C903 C904 C905 99.4 . . ?
C903 C904 H90I 111.9 . . ?
C905 C904 H90I 111.9 . . ?
C903 C904 H90J 111.9 . . ?
C905 C904 H90J 111.9 . . ?
H90I C904 H90J 109.6 . . ?
C904 C905 H90N 109.5 . . ?
C904 C905 H90O 109.5 . . ?
H90N C905 H90O 109.5 . . ?
C904 C905 H90P 109.5 . . ?
H90N C905 H90P 109.5 . . ?
H90O C905 H90P 109.5 . . ?
C942 C941 H94G 109.5 . . ?
C942 C941 H94H 109.5 . . ?
H94G C941 H94H 109.5 . . ?
C942 C941 H94I 109.5 . . ?
H94G C941 H94I 109.5 . . ?
H94H C941 H94I 109.5 . . ?
C943 C942 C941 107(2) . . ?
C943 C942 H94A 110.4 . . ?
C941 C942 H94A 110.4 . . ?
C943 C942 H94B 110.4 . . ?
C941 C942 H94B 110.4 . . ?
H94A C942 H94B 108.6 . . ?
C944 C943 C942 93(2) . . ?
C944 C943 H94C 113.2 . . ?
C942 C943 H94C 113.2 . . ?
C944 C943 H94D 113.2 . . ?
C942 C943 H94D 113.2 . . ?
H94C C943 H94D 110.5 . . ?
C943 C944 C945 114(3) . . ?
C943 C944 H94E 108.8 . . ?
C945 C944 H94E 108.8 . . ?
C943 C944 H94F 108.8 . . ?
C945 C944 H94F 108.8 . . ?
H94E C944 H94F 107.7 . . ?
C944 C945 H94J 109.5 . . ?
C944 C945 H94K 109.5 . . ?
H94J C945 H94K 109.5 . . ?
C944 C945 H94L 109.5 . . ?
H94J C945 H94L 109.5 . . ?
H94K C945 H94L 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         3.284
_refine_diff_density_min         -2.923
_refine_diff_density_rms         0.190


# SQUEEZE RESULTS (APPEND TO CIF)
# 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 0.662 -0.075 0.146 173 72 ' '
2 0.058 -0.216 0.363 439 192 ' '
3 0.500 0.000 0.500 678 312 ' '
4 0.942 0.216 0.637 440 191 ' '
5 0.338 0.075 0.854 173 74 ' '
6 0.995 0.011 0.919 8 2 ' '
7 0.249 0.469 0.155 301 129 ' '
8 0.751 0.531 0.846 302 133 ' '
9 0.005 0.988 0.081 8 2 ' '
_platon_squeeze_details          
;
;

_database_code_depnum_ccdc_archive 'CCDC 931002'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_apow9

_vrf_PLAT201_I                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 28
RESPONSE: All triethyl phosphine ligands are disordered and refined
with isotropic displcaement parameters.
;
_vrf_PLAT413_I                   
;
PROBLEM: Short Inter XH3 .. XHn H7A .. H32D .. 1.85 Ang.
RESPONSE: Due to the wholly disorder in all phosphine ligands and due to the
geometrical restrains applied, some of the theoretical positioning of the methyl
 protons may not be in the exact anticipated positions.
;

_audit_update_record             
;
2013-02-19 # Formatted by publCIF
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H68 N8 O4 P4 Au4, C4 H10 O1'
_chemical_formula_sum            'C44 H78 Au4 N8 O5 P4'
_chemical_formula_weight         1710.89

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_H-M   R-3

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   46.159(2)
_cell_length_b                   46.159(2)
_cell_length_c                   13.0682(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     24113.7(18)
_cell_formula_units_Z            18
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9825
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      27.82

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.121
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             14652
_exptl_absorpt_coefficient_mu    11.086
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.2818
_exptl_absorpt_correction_T_max  0.6976
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'Bruker Triumph'
_diffrn_measurement_device_type  'Bruker APEX-II DUO'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            78284
_diffrn_reflns_av_R_equivalents  0.1022
_diffrn_reflns_av_sigmaI/netI    0.0786
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_k_max       54
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.53
_diffrn_reflns_theta_max         25.00
_reflns_number_total             9435
_reflns_number_gt                6179
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'Bruker APEX2 (Bruker, 2008)'
_computing_cell_refinement       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT (Bruker, 2008)'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 2008)'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Olex2 v1.2.2'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 All H atoms were positioned geometrically ( C---H = 0.93/1.00 \%A) and allowed
 to ride with <i>U</i>~iso~(H)= 1.2/1.5<i>U</i>~eq~(C).
 Methyl ones were allowed to rotate around the corresponding C---C.

The asymmetric unit consists of one Au4 cluster and one diethyl ether solvent
 molecule disordered over three positions.  The solvent molecules were
 disordered and could not be modeled properly, thus program SQUEEZE, a part of
 the PLATON package of crystallographic software, was used to calculate the
 solvent disorder area and remove its contribution to the overall intensity
 data.   All four P(C2H5)3 ligands are wholly disordered and each was refined in
 two parts.  Restriction were applied using SADI to maintain equal P-C and C-C
 bond in those ligands as well as using EADP to maintain equivalent displacement
 parameters among similar atoms.  Both nitro groups have their O atoms
 disordered also and each was refined in two parts.  It is worth noting here
 that all possible merohedral twinning possibilities were explored but none was
 the case.  
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0776P)^2^+1580.0621P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9435
_refine_ls_number_parameters     483
_refine_ls_number_restraints     255
_refine_ls_R_factor_all          0.1169
_refine_ls_R_factor_gt           0.0753
_refine_ls_wR_factor_ref         0.1832
_refine_ls_wR_factor_gt          0.1693
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.885787(19) -0.17100(2) 0.29383(5) 0.0441(2) Uani 1 1 d . . .
Au2 Au 0.84308(2) -0.14439(2) 0.20553(5) 0.0445(2) Uani 1 1 d . C .
Au3 Au 0.78826(2) -0.20879(2) 0.30801(5) 0.0481(2) Uani 1 1 d D . .
Au4 Au 0.82769(2) -0.235774(19) 0.20171(5) 0.0444(2) Uani 1 1 d . C .
O1 O 0.6771(8) -0.2325(11) 0.741(2) 0.056(13) Uiso 0.46(5) 1 d P A 1
O2 O 0.6998(9) -0.2441(13) 0.872(3) 0.066(13) Uiso 0.46(5) 1 d P A 1
O1' O 0.6726(7) -0.2535(10) 0.738(2) 0.062(11) Uiso 0.54(5) 1 d P A 2
O2' O 0.7059(8) -0.2256(10) 0.870(2) 0.06(1) Uiso 0.54(5) 1 d P A 2
O3 O 0.8021(13) -0.3245(8) -0.361(2) 0.059(11) Uiso 0.58(10) 1 d P B 1
O4 O 0.7943(15) -0.3541(8) -0.222(2) 0.068(12) Uiso 0.58(10) 1 d P B 1
O3' O 0.8151(17) -0.3215(10) -0.358(3) 0.049(14) Uiso 0.42(10) 1 d P B 2
O4' O 0.7796(15) -0.3561(9) -0.229(2) 0.042(15) Uiso 0.42(10) 1 d P B 2
N1 N 0.8545(4) -0.1818(4) 0.4182(9) 0.050(4) Uani 1 1 d . C .
N2 N 0.8697(4) -0.1760(5) 0.5096(11) 0.061(5) Uani 1 1 d . . .
N3 N 0.8463(4) -0.1847(5) 0.5823(11) 0.068(6) Uani 1 1 d . C .
N4 N 0.7014(6) -0.2347(8) 0.7786(12) 0.105(10) Uani 1 1 d . . .
N5 N 0.8397(4) -0.1740(4) 0.0838(9) 0.046(4) Uani 1 1 d . . .
N6 N 0.8431(4) -0.1606(4) -0.0114(10) 0.046(4) Uani 1 1 d . C .
N7 N 0.8381(4) -0.1836(4) -0.0783(10) 0.048(4) Uani 1 1 d . . .
N8 N 0.8014(7) -0.3265(5) -0.2671(13) 0.092(8) Uani 1 1 d . . .
C1 C 0.8209(4) -0.1948(5) 0.4275(12) 0.037(4) Uani 1 1 d . C .
C2 C 0.8157(4) -0.1965(5) 0.5331(12) 0.039(5) Uani 1 1 d . . .
C3 C 0.7863(5) -0.2067(5) 0.5945(12) 0.048(5) Uani 1 1 d . A .
C4 C 0.7552(5) -0.2183(8) 0.5533(16) 0.087(9) Uani 1 1 d . . .
H4A H 0.7529 -0.2205 0.4810 0.104 Uiso 1 1 calc R C .
C5 C 0.7264(5) -0.2272(8) 0.6119(15) 0.092(10) Uani 1 1 d . A .
H5A H 0.7052 -0.2349 0.5812 0.110 Uiso 1 1 calc R . .
C6 C 0.7308(6) -0.2242(8) 0.7167(14) 0.077(8) Uani 1 1 d . A .
C7 C 0.7610(5) -0.2133(6) 0.7620(13) 0.060(6) Uani 1 1 d . . .
H7A H 0.7627 -0.2124 0.8345 0.072 Uiso 1 1 calc R A .
C8 C 0.7887(5) -0.2036(5) 0.7036(13) 0.051(5) Uani 1 1 d . A .
H8A H 0.8099 -0.1946 0.7356 0.061 Uiso 1 1 calc R . .
C9 C 0.8325(5) -0.2060(5) 0.0780(12) 0.046(5) Uani 1 1 d . C .
C10 C 0.8299(5) -0.2144(5) -0.0274(13) 0.046(5) Uani 1 1 d . C .
C11 C 0.8245(5) -0.2418(5) -0.0888(12) 0.047(5) Uani 1 1 d . . .
C12 C 0.8340(5) -0.2382(5) -0.1912(13) 0.047(5) Uani 1 1 d . B .
H12A H 0.8464 -0.2166 -0.2207 0.056 Uiso 1 1 calc R . .
C13 C 0.8252(5) -0.2673(5) -0.2517(14) 0.050(5) Uani 1 1 d . . .
H13A H 0.8294 -0.2654 -0.3233 0.060 Uiso 1 1 calc R B .
C14 C 0.8111(6) -0.2969(5) -0.2062(15) 0.063(7) Uani 1 1 d . B .
C15 C 0.8022(7) -0.3017(5) -0.1027(13) 0.068(7) Uani 1 1 d . . .
H15A H 0.7913 -0.3234 -0.0730 0.082 Uiso 1 1 calc R B .
C16 C 0.8097(6) -0.2740(5) -0.0464(13) 0.060(6) Uani 1 1 d . B .
H16A H 0.8046 -0.2766 0.0246 0.072 Uiso 1 1 calc R . .
P1 P 0.9254(5) -0.1546(4) 0.1741(13) 0.0547(16) Uani 0.60 1 d PD C 1
P2 P 0.8538(4) -0.1043(6) 0.3243(16) 0.060(5) Uani 0.60 1 d PD C 1
P3 P 0.7477(4) -0.2218(4) 0.1873(12) 0.122(5) Uani 0.60 1 d PD C 1
P4 P 0.8197(4) -0.2742(6) 0.3253(13) 0.063(4) Uani 0.60 1 d PD C 1
P1' P 0.9268(7) -0.1530(6) 0.1761(19) 0.0547(16) Uani 0.40 1 d PD C 2
P2' P 0.8418(7) -0.1093(9) 0.321(3) 0.060(5) Uani 0.40 1 d PD C 2
P3' P 0.7474(6) -0.2283(6) 0.1854(18) 0.122(5) Uani 0.40 1 d PD C 2
P4' P 0.8296(7) -0.2704(9) 0.330(2) 0.063(4) Uani 0.40 1 d PD C 2
C17 C 0.9642(8) -0.1433(7) 0.233(3) 0.079(4) Uiso 0.60 1 d PD C 1
H17A H 0.9625 -0.1636 0.2646 0.094 Uiso 0.60 1 calc PR C 1
H17B H 0.9815 -0.1357 0.1793 0.094 Uiso 0.60 1 calc PR C 1
C18 C 0.9761(9) -0.1171(9) 0.313(3) 0.079(4) Uiso 0.60 1 d PD C 1
H18A H 0.9978 -0.1129 0.3386 0.118 Uiso 0.60 1 calc PR C 1
H18B H 0.9599 -0.1246 0.3689 0.118 Uiso 0.60 1 calc PR C 1
H18C H 0.9785 -0.0965 0.2831 0.118 Uiso 0.60 1 calc PR C 1
C19 C 0.9213(9) -0.1835(6) 0.078(2) 0.079(4) Uiso 0.60 1 d PD C 1
H19A H 0.9048 -0.1847 0.0272 0.094 Uiso 0.60 1 calc PR C 1
H19B H 0.9430 -0.1744 0.0423 0.094 Uiso 0.60 1 calc PR C 1
C20 C 0.9110(11) -0.2178(7) 0.111(3) 0.079(4) Uiso 0.60 1 d PD C 1
H20A H 0.9087 -0.2315 0.0506 0.118 Uiso 0.60 1 calc PR C 1
H20B H 0.8895 -0.2274 0.1466 0.118 Uiso 0.60 1 calc PR C 1
H20C H 0.9280 -0.2174 0.1568 0.118 Uiso 0.60 1 calc PR C 1
C21 C 0.9333(7) -0.1183(6) 0.105(3) 0.079(4) Uiso 0.60 1 d PD C 1
H21A H 0.9167 -0.1253 0.0491 0.094 Uiso 0.60 1 calc PR C 1
H21B H 0.9292 -0.1038 0.1516 0.094 Uiso 0.60 1 calc PR C 1
C22 C 0.9668(9) -0.0979(8) 0.060(3) 0.079(4) Uiso 0.60 1 d PD C 1
H22A H 0.9679 -0.0788 0.0239 0.118 Uiso 0.60 1 calc PR C 1
H22B H 0.9712 -0.1116 0.0121 0.118 Uiso 0.60 1 calc PR C 1
H22C H 0.9836 -0.0898 0.1148 0.118 Uiso 0.60 1 calc PR C 1
C17' C 0.9607(12) -0.1567(11) 0.224(3) 0.079(4) Uiso 0.40 1 d PD C 2
H17C H 0.9522 -0.1804 0.2431 0.094 Uiso 0.40 1 calc PR C 2
H17D H 0.9770 -0.1513 0.1681 0.094 Uiso 0.40 1 calc PR C 2
C18' C 0.9788(13) -0.1359(15) 0.313(4) 0.079(4) Uiso 0.40 1 d PD C 2
H18D H 0.9966 -0.1405 0.3331 0.118 Uiso 0.40 1 calc PR C 2
H18E H 0.9632 -0.1411 0.3702 0.118 Uiso 0.40 1 calc PR C 2
H18F H 0.9887 -0.1122 0.2949 0.118 Uiso 0.40 1 calc PR C 2
C19' C 0.9194(13) -0.1715(9) 0.053(2) 0.079(4) Uiso 0.40 1 d PD C 2
H19C H 0.9029 -0.1673 0.0178 0.094 Uiso 0.40 1 calc PR C 2
H19D H 0.9405 -0.1598 0.0137 0.094 Uiso 0.40 1 calc PR C 2
C20' C 0.9072(16) -0.2077(9) 0.048(4) 0.079(4) Uiso 0.40 1 d PD C 2
H20D H 0.9034 -0.2149 -0.0236 0.118 Uiso 0.40 1 calc PR C 2
H20E H 0.8861 -0.2198 0.0861 0.118 Uiso 0.40 1 calc PR C 2
H20F H 0.9238 -0.2123 0.0782 0.118 Uiso 0.40 1 calc PR C 2
C21' C 0.9445(10) -0.1097(7) 0.151(4) 0.079(4) Uiso 0.40 1 d PD C 2
H21C H 0.9538 -0.0974 0.2157 0.094 Uiso 0.40 1 calc PR C 2
H21D H 0.9634 -0.1029 0.1030 0.094 Uiso 0.40 1 calc PR C 2
C22' C 0.9223(13) -0.0985(11) 0.108(5) 0.079(4) Uiso 0.40 1 d PD C 2
H22D H 0.9350 -0.0743 0.0961 0.118 Uiso 0.40 1 calc PR C 2
H22E H 0.9040 -0.1037 0.1557 0.118 Uiso 0.40 1 calc PR C 2
H22F H 0.9130 -0.1100 0.0427 0.118 Uiso 0.40 1 calc PR C 2
C23 C 0.8482(8) -0.0718(11) 0.258(3) 0.103(6) Uiso 0.60 1 d PD C 1
H23A H 0.8264 -0.0824 0.2218 0.123 Uiso 0.60 1 calc PR C 1
H23B H 0.8484 -0.0557 0.3083 0.123 Uiso 0.60 1 calc PR C 1
C24 C 0.8760(12) -0.0538(13) 0.182(4) 0.103(6) Uiso 0.60 1 d PD C 1
H24A H 0.8734 -0.0364 0.1475 0.154 Uiso 0.60 1 calc PR C 1
H24B H 0.8754 -0.0697 0.1313 0.154 Uiso 0.60 1 calc PR C 1
H24C H 0.8976 -0.0434 0.2180 0.154 Uiso 0.60 1 calc PR C 1
C25 C 0.8285(7) -0.1146(11) 0.444(2) 0.103(6) Uiso 0.60 1 d PD C 1
H25A H 0.8327 -0.1298 0.4869 0.123 Uiso 0.60 1 calc PR C 1
H25B H 0.8350 -0.0939 0.4831 0.123 Uiso 0.60 1 calc PR C 1
C26 C 0.7921(7) -0.1312(13) 0.416(3) 0.103(6) Uiso 0.60 1 d PD C 1
H26A H 0.7786 -0.1368 0.4785 0.154 Uiso 0.60 1 calc PR C 1
H26B H 0.7858 -0.1517 0.3772 0.154 Uiso 0.60 1 calc PR C 1
H26C H 0.7881 -0.1160 0.3740 0.154 Uiso 0.60 1 calc PR C 1
C27 C 0.8984(6) -0.0831(8) 0.366(3) 0.103(6) Uiso 0.60 1 d PD C 1
H27A H 0.9028 -0.0990 0.4041 0.123 Uiso 0.60 1 calc PR C 1
H27B H 0.9133 -0.0751 0.3057 0.123 Uiso 0.60 1 calc PR C 1
C28 C 0.9053(9) -0.054(1) 0.434(4) 0.103(6) Uiso 0.60 1 d PD C 1
H28A H 0.9288 -0.0424 0.4547 0.154 Uiso 0.60 1 calc PR C 1
H28B H 0.8909 -0.0621 0.4945 0.154 Uiso 0.60 1 calc PR C 1
H28C H 0.9005 -0.0385 0.3961 0.154 Uiso 0.60 1 calc PR C 1
C23' C 0.8385(12) -0.0738(14) 0.267(5) 0.103(6) Uiso 0.40 1 d PD C 2
H23C H 0.8157 -0.0819 0.2400 0.123 Uiso 0.40 1 calc PR C 2
H23D H 0.8430 -0.0569 0.3205 0.123 Uiso 0.40 1 calc PR C 2
C24' C 0.8635(18) -0.0581(19) 0.182(6) 0.103(6) Uiso 0.40 1 d PD C 2
H24D H 0.8624 -0.0389 0.1540 0.154 Uiso 0.40 1 calc PR C 2
H24E H 0.8584 -0.0746 0.1272 0.154 Uiso 0.40 1 calc PR C 2
H24F H 0.8861 -0.0505 0.2081 0.154 Uiso 0.40 1 calc PR C 2
C25' C 0.8085(10) -0.1284(16) 0.421(4) 0.103(6) Uiso 0.40 1 d PD C 2
H25C H 0.8091 -0.1473 0.4539 0.123 Uiso 0.40 1 calc PR C 2
H25D H 0.8123 -0.1116 0.4742 0.123 Uiso 0.40 1 calc PR C 2
C26' C 0.7750(9) -0.1404(19) 0.371(5) 0.103(6) Uiso 0.40 1 d PD C 2
H26D H 0.7574 -0.1503 0.4233 0.154 Uiso 0.40 1 calc PR C 2
H26E H 0.7713 -0.1573 0.3195 0.154 Uiso 0.40 1 calc PR C 2
H26F H 0.7746 -0.1215 0.3388 0.154 Uiso 0.40 1 calc PR C 2
C27' C 0.8823(9) -0.0901(13) 0.392(4) 0.103(6) Uiso 0.40 1 d PD C 2
H27C H 0.8834 -0.1072 0.4345 0.123 Uiso 0.40 1 calc PR C 2
H27D H 0.9011 -0.0811 0.3427 0.123 Uiso 0.40 1 calc PR C 2
C28' C 0.8849(15) -0.0624(16) 0.459(5) 0.103(6) Uiso 0.40 1 d PD C 2
H28D H 0.9061 -0.0524 0.4967 0.154 Uiso 0.40 1 calc PR C 2
H28E H 0.8662 -0.0715 0.5072 0.154 Uiso 0.40 1 calc PR C 2
H28F H 0.8842 -0.0453 0.4162 0.154 Uiso 0.40 1 calc PR C 2
C29 C 0.7046(6) -0.2372(9) 0.237(3) 0.130(7) Uiso 0.60 1 d PD C 1
H29A H 0.7046 -0.2193 0.2786 0.156 Uiso 0.60 1 calc PR C 1
H29B H 0.6895 -0.2415 0.1780 0.156 Uiso 0.60 1 calc PR C 1
C30 C 0.6916(10) -0.2666(13) 0.297(4) 0.130(7) Uiso 0.60 1 d PD C 1
H30A H 0.6687 -0.2734 0.3175 0.196 Uiso 0.60 1 calc PR C 1
H30B H 0.7055 -0.2622 0.3579 0.196 Uiso 0.60 1 calc PR C 1
H30C H 0.6916 -0.2845 0.2566 0.196 Uiso 0.60 1 calc PR C 1
C31 C 0.7538(9) -0.1870(8) 0.101(2) 0.130(7) Uiso 0.60 1 d PD C 1
H31A H 0.7754 -0.1786 0.0649 0.156 Uiso 0.60 1 calc PR C 1
H31B H 0.7359 -0.1960 0.0490 0.156 Uiso 0.60 1 calc PR C 1
C32 C 0.7538(15) -0.1599(10) 0.151(3) 0.130(7) Uiso 0.60 1 d PD C 1
H32A H 0.7554 -0.1435 0.1003 0.196 Uiso 0.60 1 calc PR C 1
H32B H 0.7729 -0.1492 0.1980 0.196 Uiso 0.60 1 calc PR C 1
H32C H 0.7330 -0.1680 0.1902 0.196 Uiso 0.60 1 calc PR C 1
C33 C 0.7412(10) -0.2551(7) 0.094(2) 0.130(7) Uiso 0.60 1 d PD C 1
H33A H 0.7230 -0.2588 0.0471 0.156 Uiso 0.60 1 calc PR C 1
H33B H 0.7618 -0.2471 0.0532 0.156 Uiso 0.60 1 calc PR C 1
C34 C 0.7332(15) -0.2862(9) 0.139(4) 0.130(7) Uiso 0.60 1 d PD C 1
H34A H 0.7289 -0.3026 0.0856 0.196 Uiso 0.60 1 calc PR C 1
H34B H 0.7133 -0.2940 0.1823 0.196 Uiso 0.60 1 calc PR C 1
H34C H 0.7520 -0.2833 0.1818 0.196 Uiso 0.60 1 calc PR C 1
C29' C 0.7039(6) -0.2446(16) 0.232(4) 0.130(7) Uiso 0.40 1 d PD C 2
H29C H 0.6993 -0.2258 0.2349 0.156 Uiso 0.40 1 calc PR C 2
H29D H 0.6883 -0.2611 0.1823 0.156 Uiso 0.40 1 calc PR C 2
C30' C 0.6973(12) -0.260(2) 0.330(5) 0.130(7) Uiso 0.40 1 d PD C 2
H30D H 0.6741 -0.2672 0.3495 0.196 Uiso 0.40 1 calc PR C 2
H30E H 0.7126 -0.2438 0.3803 0.196 Uiso 0.40 1 calc PR C 2
H30F H 0.7005 -0.2794 0.3274 0.196 Uiso 0.40 1 calc PR C 2
C31' C 0.7514(13) -0.1974(11) 0.087(3) 0.130(7) Uiso 0.40 1 d PD C 2
H31C H 0.7330 -0.1927 0.0958 0.156 Uiso 0.40 1 calc PR C 2
H31D H 0.7727 -0.1763 0.0980 0.156 Uiso 0.40 1 calc PR C 2
C32' C 0.751(2) -0.2078(18) -0.016(3) 0.130(7) Uiso 0.40 1 d PD C 2
H32D H 0.7555 -0.1894 -0.0624 0.196 Uiso 0.40 1 calc PR C 2
H32E H 0.7287 -0.2270 -0.0311 0.196 Uiso 0.40 1 calc PR C 2
H32F H 0.7679 -0.2144 -0.0246 0.196 Uiso 0.40 1 calc PR C 2
C33' C 0.7433(13) -0.2637(11) 0.106(4) 0.130(7) Uiso 0.40 1 d PD C 2
H33C H 0.7633 -0.2554 0.0616 0.156 Uiso 0.40 1 calc PR C 2
H33D H 0.7430 -0.2808 0.1520 0.156 Uiso 0.40 1 calc PR C 2
C34' C 0.7143(17) -0.2790(17) 0.044(5) 0.130(7) Uiso 0.40 1 d PD C 2
H34D H 0.7162 -0.2943 -0.0048 0.196 Uiso 0.40 1 calc PR C 2
H34E H 0.7123 -0.2618 0.0056 0.196 Uiso 0.40 1 calc PR C 2
H34F H 0.6945 -0.2916 0.0866 0.196 Uiso 0.40 1 calc PR C 2
C35 C 0.8121(9) -0.3134(9) 0.271(3) 0.103(6) Uiso 0.60 1 d PD C 1
H35A H 0.7914 -0.3223 0.2300 0.123 Uiso 0.60 1 calc PR C 1
H35B H 0.8306 -0.3081 0.2226 0.123 Uiso 0.60 1 calc PR C 1
C36 C 0.8088(15) -0.3400(9) 0.334(4) 0.103(6) Uiso 0.60 1 d PD C 1
H36A H 0.8055 -0.3587 0.2903 0.154 Uiso 0.60 1 calc PR C 1
H36B H 0.7896 -0.3473 0.3792 0.154 Uiso 0.60 1 calc PR C 1
H36C H 0.8292 -0.3323 0.3746 0.154 Uiso 0.60 1 calc PR C 1
C37 C 0.7853(6) -0.2863(11) 0.413(2) 0.103(6) Uiso 0.60 1 d PD C 1
H37A H 0.7839 -0.3047 0.4557 0.123 Uiso 0.60 1 calc PR C 1
H37B H 0.7917 -0.2671 0.4596 0.123 Uiso 0.60 1 calc PR C 1
C38 C 0.7525(7) -0.2967(13) 0.378(3) 0.103(6) Uiso 0.60 1 d PD C 1
H38A H 0.7372 -0.3036 0.4363 0.154 Uiso 0.60 1 calc PR C 1
H38B H 0.7454 -0.3155 0.3306 0.154 Uiso 0.60 1 calc PR C 1
H38C H 0.7523 -0.2781 0.3425 0.154 Uiso 0.60 1 calc PR C 1
C39 C 0.8554(7) -0.2619(11) 0.408(2) 0.103(6) Uiso 0.60 1 d PD C 1
H39A H 0.8566 -0.2443 0.4542 0.123 Uiso 0.60 1 calc PR C 1
H39B H 0.8502 -0.2815 0.4519 0.123 Uiso 0.60 1 calc PR C 1
C40 C 0.8879(7) -0.2501(13) 0.368(3) 0.103(6) Uiso 0.60 1 d PD C 1
H40A H 0.9038 -0.2444 0.4248 0.154 Uiso 0.60 1 calc PR C 1
H40B H 0.8944 -0.2301 0.3265 0.154 Uiso 0.60 1 calc PR C 1
H40C H 0.8881 -0.2675 0.3259 0.154 Uiso 0.60 1 calc PR C 1
C35' C 0.8057(13) -0.3138(12) 0.292(4) 0.103(6) Uiso 0.40 1 d PD C 2
H35C H 0.7831 -0.3181 0.2725 0.123 Uiso 0.40 1 calc PR C 2
H35D H 0.8162 -0.3162 0.2290 0.123 Uiso 0.40 1 calc PR C 2
C36' C 0.801(2) -0.340(1) 0.359(6) 0.103(6) Uiso 0.40 1 d PD C 2
H36D H 0.7836 -0.3614 0.3310 0.154 Uiso 0.40 1 calc PR C 2
H36E H 0.7941 -0.3364 0.4263 0.154 Uiso 0.40 1 calc PR C 2
H36F H 0.8220 -0.3402 0.3652 0.154 Uiso 0.40 1 calc PR C 2
C37' C 0.8127(9) -0.2697(16) 0.454(3) 0.103(6) Uiso 0.40 1 d PD C 2
H37C H 0.8197 -0.2817 0.5021 0.123 Uiso 0.40 1 calc PR C 2
H37D H 0.8241 -0.2460 0.4768 0.123 Uiso 0.40 1 calc PR C 2
C38' C 0.7780(12) -0.2827(19) 0.469(4) 0.103(6) Uiso 0.40 1 d PD C 2
H38D H 0.7737 -0.2805 0.5415 0.154 Uiso 0.40 1 calc PR C 2
H38E H 0.7658 -0.3063 0.4495 0.154 Uiso 0.40 1 calc PR C 2
H38F H 0.7704 -0.2701 0.4271 0.154 Uiso 0.40 1 calc PR C 2
C39' C 0.8705(9) -0.2645(17) 0.359(3) 0.103(6) Uiso 0.40 1 d PD C 2
H39C H 0.8829 -0.2431 0.3967 0.123 Uiso 0.40 1 calc PR C 2
H39D H 0.8671 -0.2824 0.4075 0.123 Uiso 0.40 1 calc PR C 2
C40' C 0.8920(12) -0.264(2) 0.281(4) 0.103(6) Uiso 0.40 1 d PD C 2
H40D H 0.9140 -0.2573 0.3102 0.154 Uiso 0.40 1 calc PR C 2
H40E H 0.8944 -0.2479 0.2280 0.154 Uiso 0.40 1 calc PR C 2
H40F H 0.8826 -0.2863 0.2506 0.154 Uiso 0.40 1 calc PR C 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Au1 0.0424(5) 0.0663(6) 0.0286(3) 0.0049(3) 0.0057(3) 0.0308(4)
Au2 0.0658(6) 0.0512(5) 0.0293(3) -0.0007(3) 0.0020(3) 0.0388(4)
Au3 0.0456(5) 0.0768(6) 0.0222(3) -0.0033(3) -0.0021(3) 0.0308(4)
Au4 0.0623(5) 0.0490(5) 0.0237(3) 0.0032(3) -0.0007(3) 0.0291(4)
N1 0.038(10) 0.096(13) 0.011(6) -0.006(7) 0.009(6) 0.030(9)
N2 0.045(10) 0.119(16) 0.030(8) 0.009(9) 0.012(7) 0.049(11)
N3 0.049(11) 0.122(17) 0.025(8) 0.007(9) -0.006(7) 0.037(12)
N4 0.087(16) 0.25(3) 0.021(8) 0.021(13) 0.005(9) 0.12(2)
N5 0.077(12) 0.041(10) 0.016(6) -0.010(6) -0.003(7) 0.028(9)
N6 0.069(12) 0.039(9) 0.028(7) -0.002(7) -0.005(7) 0.026(9)
N7 0.072(12) 0.039(10) 0.030(8) 0.004(7) -0.009(7) 0.025(9)
N8 0.17(2) 0.080(16) 0.034(9) 0.007(10) 0.009(12) 0.072(17)
C1 0.023(10) 0.055(12) 0.034(9) 0.006(8) -0.011(7) 0.020(9)
C2 0.017(9) 0.077(14) 0.031(8) 0.005(8) -0.002(7) 0.028(10)
C3 0.042(12) 0.081(15) 0.024(8) -0.003(9) -0.014(8) 0.033(11)
C4 0.021(11) 0.17(3) 0.045(12) 0.006(14) -0.002(9) 0.027(15)
C5 0.032(13) 0.20(3) 0.036(11) 0.012(15) -0.004(9) 0.049(17)
C6 0.058(15) 0.17(3) 0.028(10) 0.012(13) 0.014(10) 0.074(17)
C7 0.057(14) 0.109(19) 0.020(8) 0.013(10) 0.001(9) 0.046(14)
C8 0.055(13) 0.073(15) 0.029(9) -0.013(9) -0.017(9) 0.035(12)
C9 0.054(13) 0.059(14) 0.022(8) 0.004(8) 0.010(8) 0.026(11)
C10 0.033(11) 0.042(12) 0.041(10) 0.007(9) 0.003(8) 0.002(9)
C11 0.066(14) 0.045(12) 0.026(8) 0.004(8) 0.007(9) 0.025(11)
C12 0.060(13) 0.051(13) 0.030(9) 0.009(8) 0.008(8) 0.029(11)
C13 0.064(14) 0.052(13) 0.034(9) 0.005(9) 0.007(9) 0.029(12)
C14 0.11(2) 0.022(11) 0.049(11) -0.006(9) -0.001(12) 0.030(12)
C15 0.13(2) 0.051(14) 0.026(9) 0.018(9) 0.023(11) 0.052(15)
C16 0.097(18) 0.053(14) 0.020(8) 0.004(9) 0.013(10) 0.030(13)
P1 0.048(4) 0.089(5) 0.036(3) 0.009(3) 0.010(2) 0.042(4)
P2 0.092(14) 0.066(8) 0.042(3) -0.006(4) -0.002(8) 0.054(10)
P3 0.059(5) 0.263(14) 0.045(4) -0.051(6) -0.019(3) 0.083(7)
P4 0.085(11) 0.057(6) 0.039(3) 0.005(3) -0.022(6) 0.030(8)
P1' 0.048(4) 0.089(5) 0.036(3) 0.009(3) 0.010(2) 0.042(4)
P2' 0.092(14) 0.066(8) 0.042(3) -0.006(4) -0.002(8) 0.054(10)
P3' 0.059(5) 0.263(14) 0.045(4) -0.051(6) -0.019(3) 0.083(7)
P4' 0.085(11) 0.057(6) 0.039(3) 0.005(3) -0.022(6) 0.030(8)

_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 N1 2.062(12) . ?
Au1 P1 2.233(19) . ?
Au1 P1' 2.25(3) . ?
Au1 Au2 3.0245(11) . ?
Au1 Au4 3.0923(11) . ?
Au2 N5 2.052(13) . ?
Au2 P2' 2.24(3) . ?
Au2 P2 2.27(2) . ?
Au2 Au3 3.0842(11) . ?
Au3 C1 2.039(15) . ?
Au3 P3 2.286(7) . ?
Au3 P3' 2.287(8) . ?
Au3 Au4 3.0099(11) . ?
Au4 C9 2.061(18) . ?
Au4 P4 2.29(2) . ?
Au4 P4' 2.35(3) . ?
O1 N4 1.27(4) . ?
O2 N4 1.28(4) . ?
O1' N4 1.28(4) . ?
O2' N4 1.25(3) . ?
O3 N8 1.22(3) . ?
O4 N8 1.29(4) . ?
O3' N8 1.31(5) . ?
O4' N8 1.33(4) . ?
N1 N2 1.34(2) . ?
N1 C1 1.36(2) . ?
N2 N3 1.34(2) . ?
N3 C2 1.39(2) . ?
N4 C6 1.44(3) . ?
N5 C9 1.34(2) . ?
N5 N6 1.363(19) . ?
N6 N7 1.31(2) . ?
N7 C10 1.44(2) . ?
N8 C14 1.45(3) . ?
C1 C2 1.40(2) . ?
C2 C3 1.44(2) . ?
C3 C4 1.37(3) . ?
C3 C8 1.43(2) . ?
C4 C5 1.40(3) . ?
C4 H4A 0.9500 . ?
C5 C6 1.38(3) . ?
C5 H5A 0.9500 . ?
C6 C7 1.36(3) . ?
C7 C8 1.36(3) . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9500 . ?
C9 C10 1.42(2) . ?
C10 C11 1.41(3) . ?
C11 C12 1.39(2) . ?
C11 C16 1.40(3) . ?
C12 C13 1.43(3) . ?
C12 H12A 0.9500 . ?
C13 C14 1.32(3) . ?
C13 H13A 0.9500 . ?
C14 C15 1.40(3) . ?
C15 C16 1.36(3) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
P1 C19 1.772(17) . ?
P1 C21 1.772(17) . ?
P1 C17 1.773(17) . ?
P2 C23 1.86(2) . ?
P2 C27 1.86(2) . ?
P2 C25 1.86(2) . ?
P3 C29 1.86(2) . ?
P3 C33 1.86(2) . ?
P3 C31 1.86(2) . ?
P4 C35 1.81(2) . ?
P4 C37 1.81(2) . ?
P4 C39 1.81(2) . ?
P1' C19' 1.772(17) . ?
P1' C21' 1.772(17) . ?
P1' C17' 1.773(17) . ?
P2' C23' 1.86(2) . ?
P2' C27' 1.86(2) . ?
P2' C25' 1.86(2) . ?
P3' C29' 1.86(2) . ?
P3' C33' 1.86(2) . ?
P3' C31' 1.86(2) . ?
P4' C35' 1.81(2) . ?
P4' C39' 1.81(2) . ?
P4' C37' 1.81(2) . ?
C17 C18 1.47(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.47(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.47(2) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C17' C18' 1.47(3) . ?
C17' H17C 0.9900 . ?
C17' H17D 0.9900 . ?
C18' H18D 0.9800 . ?
C18' H18E 0.9800 . ?
C18' H18F 0.9800 . ?
C19' C20' 1.47(2) . ?
C19' H19C 0.9900 . ?
C19' H19D 0.9900 . ?
C20' H20D 0.9800 . ?
C20' H20E 0.9800 . ?
C20' H20F 0.9800 . ?
C21' C22' 1.47(3) . ?
C21' H21C 0.9900 . ?
C21' H21D 0.9900 . ?
C22' H22D 0.9800 . ?
C22' H22E 0.9800 . ?
C22' H22F 0.9800 . ?
C23 C24 1.50(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.50(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.50(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C23' C24' 1.50(3) . ?
C23' H23C 0.9900 . ?
C23' H23D 0.9900 . ?
C24' H24D 0.9800 . ?
C24' H24E 0.9800 . ?
C24' H24F 0.9800 . ?
C25' C26' 1.50(3) . ?
C25' H25C 0.9900 . ?
C25' H25D 0.9900 . ?
C26' H26D 0.9800 . ?
C26' H26E 0.9800 . ?
C26' H26F 0.9800 . ?
C27' C28' 1.50(3) . ?
C27' H27C 0.9900 . ?
C27' H27D 0.9900 . ?
C28' H28D 0.9800 . ?
C28' H28E 0.9800 . ?
C28' H28F 0.9800 . ?
C29 C30 1.42(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.42(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.42(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C29' C30' 1.42(3) . ?
C29' H29C 0.9900 . ?
C29' H29D 0.9900 . ?
C30' H30D 0.9800 . ?
C30' H30E 0.9800 . ?
C30' H30F 0.9800 . ?
C31' C32' 1.42(3) . ?
C31' H31C 0.9900 . ?
C31' H31D 0.9900 . ?
C32' H32D 0.9800 . ?
C32' H32E 0.9800 . ?
C32' H32F 0.9800 . ?
C33' C34' 1.42(3) . ?
C33' H33C 0.9900 . ?
C33' H33D 0.9900 . ?
C34' H34D 0.9800 . ?
C34' H34E 0.9800 . ?
C34' H34F 0.9800 . ?
C35 C36 1.42(2) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.42(2) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.42(2) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C35' C36' 1.42(2) . ?
C35' H35C 0.9900 . ?
C35' H35D 0.9900 . ?
C36' H36D 0.9800 . ?
C36' H36E 0.9800 . ?
C36' H36F 0.9800 . ?
C37' C38' 1.42(2) . ?
C37' H37C 0.9900 . ?
C37' H37D 0.9900 . ?
C38' H38D 0.9800 . ?
C38' H38E 0.9800 . ?
C38' H38F 0.9800 . ?
C39' C40' 1.42(2) . ?
C39' H39C 0.9900 . ?
C39' H39D 0.9900 . ?
C40' H40D 0.9800 . ?
C40' H40E 0.9800 . ?
C40' H40F 0.9800 . ?

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
N1 Au1 P1 171.9(6) . . ?
N1 Au1 P1' 170.2(7) . . ?
P1 Au1 P1' 1.8(10) . . ?
N1 Au1 Au2 83.1(5) . . ?
P1 Au1 Au2 100.7(5) . . ?
P1' Au1 Au2 100.8(7) . . ?
N1 Au1 Au4 84.8(4) . . ?
P1 Au1 Au4 102.9(4) . . ?
P1' Au1 Au4 104.7(6) . . ?
Au2 Au1 Au4 79.51(3) . . ?
N5 Au2 P2' 170.2(10) . . ?
N5 Au2 P2 170.1(7) . . ?
P2' Au2 P2 12.3(11) . . ?
N5 Au2 Au1 82.7(4) . . ?
P2' Au2 Au1 107.1(9) . . ?
P2 Au2 Au1 98.6(5) . . ?
N5 Au2 Au3 86.7(4) . . ?
P2' Au2 Au3 95.6(8) . . ?
P2 Au2 Au3 103.2(5) . . ?
Au1 Au2 Au3 80.22(3) . . ?
C1 Au3 P3 172.1(7) . . ?
C1 Au3 P3' 174.0(9) . . ?
P3 Au3 P3' 7.4(10) . . ?
C1 Au3 Au4 88.8(5) . . ?
P3 Au3 Au4 99.1(5) . . ?
P3' Au3 Au4 93.6(7) . . ?
C1 Au3 Au2 84.7(5) . . ?
P3 Au3 Au2 97.1(5) . . ?
P3' Au3 Au2 101.1(7) . . ?
Au4 Au3 Au2 79.87(3) . . ?
C9 Au4 P4 173.0(7) . . ?
C9 Au4 P4' 170.4(9) . . ?
P4 Au4 P4' 9.8(10) . . ?
C9 Au4 Au3 88.4(5) . . ?
P4 Au4 Au3 95.7(5) . . ?
P4' Au4 Au3 100.8(8) . . ?
C9 Au4 Au1 84.7(6) . . ?
P4 Au4 Au1 101.5(5) . . ?
P4' Au4 Au1 94.0(8) . . ?
Au3 Au4 Au1 80.31(3) . . ?
N2 N1 C1 112.0(12) . . ?
N2 N1 Au1 114.9(11) . . ?
C1 N1 Au1 133.1(11) . . ?
N3 N2 N1 108.0(14) . . ?
N2 N3 C2 107.3(13) . . ?
O2' N4 O1 110(3) . . ?
O2' N4 O1' 124(2) . . ?
O1 N4 O1' 40.6(16) . . ?
O2' N4 O2 34.6(18) . . ?
O1 N4 O2 119(3) . . ?
O1' N4 O2 107(3) . . ?
O2' N4 C6 117(2) . . ?
O1 N4 C6 119(2) . . ?
O1' N4 C6 119(2) . . ?
O2 N4 C6 122(2) . . ?
C9 N5 N6 110.9(13) . . ?
C9 N5 Au2 132.1(11) . . ?
N6 N5 Au2 116.8(11) . . ?
N7 N6 N5 107.9(14) . . ?
N6 N7 C10 110.4(14) . . ?
O3 N8 O4 121(3) . . ?
O3 N8 O3' 25(2) . . ?
O4 N8 O3' 117(3) . . ?
O3 N8 O4' 116(3) . . ?
O4 N8 O4' 28.4(18) . . ?
O3' N8 O4' 125(3) . . ?
O3 N8 C14 120(2) . . ?
O4 N8 C14 119(2) . . ?
O3' N8 C14 116(3) . . ?
O4' N8 C14 119(2) . . ?
N1 C1 C2 103.8(13) . . ?
N1 C1 Au3 124.8(12) . . ?
C2 C1 Au3 131.3(12) . . ?
N3 C2 C1 108.8(14) . . ?
N3 C2 C3 118.6(14) . . ?
C1 C2 C3 132.6(14) . . ?
C4 C3 C8 116.4(18) . . ?
C4 C3 C2 122.9(16) . . ?
C8 C3 C2 120.6(16) . . ?
C3 C4 C5 123.6(19) . . ?
C3 C4 H4A 118.2 . . ?
C5 C4 H4A 118.2 . . ?
C6 C5 C4 116.2(19) . . ?
C6 C5 H5A 121.9 . . ?
C4 C5 H5A 121.9 . . ?
C7 C6 C5 122.7(18) . . ?
C7 C6 N4 120.1(17) . . ?
C5 C6 N4 117.1(19) . . ?
C6 C7 C8 120.0(16) . . ?
C6 C7 H7A 120.0 . . ?
C8 C7 H7A 120.0 . . ?
C7 C8 C3 120.9(18) . . ?
C7 C8 H8A 119.5 . . ?
C3 C8 H8A 119.5 . . ?
N5 C9 C10 107.2(15) . . ?
N5 C9 Au4 125.0(12) . . ?
C10 C9 Au4 127.7(15) . . ?
C11 C10 C9 138.6(18) . . ?
C11 C10 N7 117.6(15) . . ?
C9 C10 N7 103.5(16) . . ?
C12 C11 C16 117.6(17) . . ?
C12 C11 C10 122.5(17) . . ?
C16 C11 C10 119.9(15) . . ?
C11 C12 C13 119.7(18) . . ?
C11 C12 H12A 120.1 . . ?
C13 C12 H12A 120.1 . . ?
C14 C13 C12 118.8(17) . . ?
C14 C13 H13A 120.6 . . ?
C12 C13 H13A 120.6 . . ?
C13 C14 C15 123.5(18) . . ?
C13 C14 N8 119.2(18) . . ?
C15 C14 N8 117.1(18) . . ?
C16 C15 C14 117.2(18) . . ?
C16 C15 H15A 121.4 . . ?
C14 C15 H15A 121.4 . . ?
C15 C16 C11 122.8(16) . . ?
C15 C16 H16A 118.6 . . ?
C11 C16 H16A 118.6 . . ?
C19 P1 C21 104.2(6) . . ?
C19 P1 C17 104.2(7) . . ?
C21 P1 C17 104.1(6) . . ?
C19 P1 Au1 118.7(12) . . ?
C21 P1 Au1 115.0(14) . . ?
C17 P1 Au1 109.2(14) . . ?
C23 P2 C27 106.0(7) . . ?
C23 P2 C25 105.9(7) . . ?
C27 P2 C25 105.9(7) . . ?
C23 P2 Au2 106.0(18) . . ?
C27 P2 Au2 111.3(13) . . ?
C25 P2 Au2 120.7(15) . . ?
C29 P3 C33 102.2(8) . . ?
C29 P3 C31 102.2(8) . . ?
C33 P3 C31 102.2(8) . . ?
C29 P3 Au3 116.0(7) . . ?
C33 P3 Au3 116.1(7) . . ?
C31 P3 Au3 116.0(7) . . ?
C35 P4 C37 103.8(7) . . ?
C35 P4 C39 103.8(7) . . ?
C37 P4 C39 103.7(7) . . ?
C35 P4 Au4 112.1(15) . . ?
C37 P4 Au4 117.6(15) . . ?
C39 P4 Au4 114.3(15) . . ?
C19' P1' C21' 104.1(7) . . ?
C19' P1' C17' 104.1(7) . . ?
C21' P1' C17' 104.1(7) . . ?
C19' P1' Au1 121.2(18) . . ?
C21' P1' Au1 111.8(18) . . ?
C17' P1' Au1 110.0(18) . . ?
C23' P2' C27' 106.0(7) . . ?
C23' P2' C25' 105.9(7) . . ?
C27' P2' C25' 105.9(7) . . ?
C23' P2' Au2 115(2) . . ?
C27' P2' Au2 107(2) . . ?
C25' P2' Au2 116(2) . . ?
C29' P3' C33' 102.2(8) . . ?
C29' P3' C31' 102.2(8) . . ?
C33' P3' C31' 102.2(8) . . ?
C29' P3' Au3 116.0(7) . . ?
C33' P3' Au3 116.0(7) . . ?
C31' P3' Au3 116.0(7) . . ?
C35' P4' C39' 103.8(8) . . ?
C35' P4' C37' 103.8(8) . . ?
C39' P4' C37' 103.8(8) . . ?
C35' P4' Au4 110(2) . . ?
C39' P4' Au4 116(2) . . ?
C37' P4' Au4 118(2) . . ?
C18 C17 P1 117.2(15) . . ?
C18 C17 H17A 108.0 . . ?
P1 C17 H17A 108.0 . . ?
C18 C17 H17B 108.0 . . ?
P1 C17 H17B 108.0 . . ?
H17A C17 H17B 107.2 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 P1 117.4(15) . . ?
C20 C19 H19A 108.0 . . ?
P1 C19 H19A 108.0 . . ?
C20 C19 H19B 108.0 . . ?
P1 C19 H19B 108.0 . . ?
H19A C19 H19B 107.2 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 P1 117.4(15) . . ?
C22 C21 H21A 108.0 . . ?
P1 C21 H21A 108.0 . . ?
C22 C21 H21B 108.0 . . ?
P1 C21 H21B 108.0 . . ?
H21A C21 H21B 107.2 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18' C17' P1' 117.3(15) . . ?
C18' C17' H17C 108.0 . . ?
P1' C17' H17C 108.0 . . ?
C18' C17' H17D 108.0 . . ?
P1' C17' H17D 108.0 . . ?
H17C C17' H17D 107.2 . . ?
C17' C18' H18D 109.5 . . ?
C17' C18' H18E 109.5 . . ?
H18D C18' H18E 109.5 . . ?
C17' C18' H18F 109.5 . . ?
H18D C18' H18F 109.5 . . ?
H18E C18' H18F 109.5 . . ?
C20' C19' P1' 117.3(15) . . ?
C20' C19' H19C 108.0 . . ?
P1' C19' H19C 108.0 . . ?
C20' C19' H19D 108.0 . . ?
P1' C19' H19D 108.0 . . ?
H19C C19' H19D 107.2 . . ?
C19' C20' H20D 109.5 . . ?
C19' C20' H20E 109.5 . . ?
H20D C20' H20E 109.5 . . ?
C19' C20' H20F 109.5 . . ?
H20D C20' H20F 109.5 . . ?
H20E C20' H20F 109.5 . . ?
C22' C21' P1' 117.4(15) . . ?
C22' C21' H21C 108.0 . . ?
P1' C21' H21C 108.0 . . ?
C22' C21' H21D 108.0 . . ?
P1' C21' H21D 108.0 . . ?
H21C C21' H21D 107.2 . . ?
C21' C22' H22D 109.5 . . ?
C21' C22' H22E 109.5 . . ?
H22D C22' H22E 109.5 . . ?
C21' C22' H22F 109.5 . . ?
H22D C22' H22F 109.5 . . ?
H22E C22' H22F 109.5 . . ?
C24 C23 P2 109.1(16) . . ?
C24 C23 H23A 109.9 . . ?
P2 C23 H23A 109.9 . . ?
C24 C23 H23B 109.9 . . ?
P2 C23 H23B 109.9 . . ?
H23A C23 H23B 108.3 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 P2 109.1(16) . . ?
C26 C25 H25A 109.9 . . ?
P2 C25 H25A 109.9 . . ?
C26 C25 H25B 109.9 . . ?
P2 C25 H25B 109.9 . . ?
H25A C25 H25B 108.3 . . ?
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 . . ?
C28 C27 P2 109.2(16) . . ?
C28 C27 H27A 109.8 . . ?
P2 C27 H27A 109.8 . . ?
C28 C27 H27B 109.8 . . ?
P2 C27 H27B 109.8 . . ?
H27A C27 H27B 108.3 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24' C23' P2' 109.2(16) . . ?
C24' C23' H23C 109.8 . . ?
P2' C23' H23C 109.8 . . ?
C24' C23' H23D 109.8 . . ?
P2' C23' H23D 109.8 . . ?
H23C C23' H23D 108.3 . . ?
C23' C24' H24D 109.5 . . ?
C23' C24' H24E 109.5 . . ?
H24D C24' H24E 109.5 . . ?
C23' C24' H24F 109.5 . . ?
H24D C24' H24F 109.5 . . ?
H24E C24' H24F 109.5 . . ?
C26' C25' P2' 109.0(16) . . ?
C26' C25' H25C 109.9 . . ?
P2' C25' H25C 109.9 . . ?
C26' C25' H25D 109.9 . . ?
P2' C25' H25D 109.9 . . ?
H25C C25' H25D 108.3 . . ?
C25' C26' H26D 109.5 . . ?
C25' C26' H26E 109.5 . . ?
H26D C26' H26E 109.5 . . ?
C25' C26' H26F 109.5 . . ?
H26D C26' H26F 109.5 . . ?
H26E C26' H26F 109.5 . . ?
C28' C27' P2' 109.1(16) . . ?
C28' C27' H27C 109.9 . . ?
P2' C27' H27C 109.9 . . ?
C28' C27' H27D 109.9 . . ?
P2' C27' H27D 109.9 . . ?
H27C C27' H27D 108.3 . . ?
C27' C28' H28D 109.5 . . ?
C27' C28' H28E 109.5 . . ?
H28D C28' H28E 109.5 . . ?
C27' C28' H28F 109.5 . . ?
H28D C28' H28F 109.5 . . ?
H28E C28' H28F 109.5 . . ?
C30 C29 P3 114.7(15) . . ?
C30 C29 H29A 108.6 . . ?
P3 C29 H29A 108.6 . . ?
C30 C29 H29B 108.6 . . ?
P3 C29 H29B 108.6 . . ?
H29A C29 H29B 107.6 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 P3 114.7(16) . . ?
C32 C31 H31A 108.6 . . ?
P3 C31 H31A 108.6 . . ?
C32 C31 H31B 108.6 . . ?
P3 C31 H31B 108.6 . . ?
H31A C31 H31B 107.6 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 P3 114.7(15) . . ?
C34 C33 H33A 108.6 . . ?
P3 C33 H33A 108.6 . . ?
C34 C33 H33B 108.6 . . ?
P3 C33 H33B 108.6 . . ?
H33A C33 H33B 107.6 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30' C29' P3' 114.8(15) . . ?
C30' C29' H29C 108.6 . . ?
P3' C29' H29C 108.6 . . ?
C30' C29' H29D 108.6 . . ?
P3' C29' H29D 108.6 . . ?
H29C C29' H29D 107.5 . . ?
C29' C30' H30D 109.5 . . ?
C29' C30' H30E 109.5 . . ?
H30D C30' H30E 109.5 . . ?
C29' C30' H30F 109.5 . . ?
H30D C30' H30F 109.5 . . ?
H30E C30' H30F 109.5 . . ?
C32' C31' P3' 114.7(16) . . ?
C32' C31' H31C 108.6 . . ?
P3' C31' H31C 108.6 . . ?
C32' C31' H31D 108.6 . . ?
P3' C31' H31D 108.6 . . ?
H31C C31' H31D 107.6 . . ?
C31' C32' H32D 109.5 . . ?
C31' C32' H32E 109.5 . . ?
H32D C32' H32E 109.5 . . ?
C31' C32' H32F 109.5 . . ?
H32D C32' H32F 109.5 . . ?
H32E C32' H32F 109.5 . . ?
C34' C33' P3' 114.7(16) . . ?
C34' C33' H33C 108.6 . . ?
P3' C33' H33C 108.6 . . ?
C34' C33' H33D 108.6 . . ?
P3' C33' H33D 108.6 . . ?
H33C C33' H33D 107.6 . . ?
C33' C34' H34D 109.5 . . ?
C33' C34' H34E 109.5 . . ?
H34D C34' H34E 109.5 . . ?
C33' C34' H34F 109.5 . . ?
H34D C34' H34F 109.5 . . ?
H34E C34' H34F 109.5 . . ?
C36 C35 P4 121.6(14) . . ?
C36 C35 H35A 106.9 . . ?
P4 C35 H35A 106.9 . . ?
C36 C35 H35B 106.9 . . ?
P4 C35 H35B 106.9 . . ?
H35A C35 H35B 106.7 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 P4 121.6(14) . . ?
C38 C37 H37A 106.9 . . ?
P4 C37 H37A 106.9 . . ?
C38 C37 H37B 106.9 . . ?
P4 C37 H37B 106.9 . . ?
H37A C37 H37B 106.7 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 P4 121.5(14) . . ?
C40 C39 H39A 107.0 . . ?
P4 C39 H39A 107.0 . . ?
C40 C39 H39B 107.0 . . ?
P4 C39 H39B 107.0 . . ?
H39A C39 H39B 106.7 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36' C35' P4' 121.5(14) . . ?
C36' C35' H35C 106.9 . . ?
P4' C35' H35C 106.9 . . ?
C36' C35' H35D 106.9 . . ?
P4' C35' H35D 106.9 . . ?
H35C C35' H35D 106.7 . . ?
C35' C36' H36D 109.5 . . ?
C35' C36' H36E 109.5 . . ?
H36D C36' H36E 109.5 . . ?
C35' C36' H36F 109.5 . . ?
H36D C36' H36F 109.5 . . ?
H36E C36' H36F 109.5 . . ?
C38' C37' P4' 121.6(14) . . ?
C38' C37' H37C 106.9 . . ?
P4' C37' H37C 106.9 . . ?
C38' C37' H37D 106.9 . . ?
P4' C37' H37D 106.9 . . ?
H37C C37' H37D 106.7 . . ?
C37' C38' H38D 109.5 . . ?
C37' C38' H38E 109.5 . . ?
H38D C38' H38E 109.5 . . ?
C37' C38' H38F 109.5 . . ?
H38D C38' H38F 109.5 . . ?
H38E C38' H38F 109.5 . . ?
C40' C39' P4' 121.6(14) . . ?
C40' C39' H39C 106.9 . . ?
P4' C39' H39C 106.9 . . ?
C40' C39' H39D 106.9 . . ?
P4' C39' H39D 106.9 . . ?
H39C C39' H39D 106.7 . . ?
C39' C40' H40D 109.5 . . ?
C39' C40' H40E 109.5 . . ?
H40D C40' H40E 109.5 . . ?
C39' C40' H40F 109.5 . . ?
H40D C40' H40F 109.5 . . ?
H40E C40' H40F 109.5 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         2.746
_refine_diff_density_min         -1.392
_refine_diff_density_rms         0.277


# SQUEEZE RESULTS (APPEND TO CIF)
# 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 0.000 0.000 -0.001 266 105 ' '
2 0.000 0.333 0.785 199 74 ' '
3 0.000 0.667 0.825 199 74 ' '
4 0.333 0.333 0.209 199 74 ' '
5 0.333 0.000 0.787 199 74 ' '
6 0.333 0.667 0.293 265 104 ' '
7 0.667 1.000 0.876 199 74 ' '
8 0.667 0.667 0.454 199 74 ' '
9 0.667 0.333 0.959 265 104 ' '
_platon_squeeze_details          
;
;

_database_code_depnum_ccdc_archive 'CCDC 931003'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_tre05

_vrf_CHEMW03_I                   
;
PROBLEM: ALERT: The ratio of given/expected molecular weight as
RESPONSE: 2.5 benzene solvent molecules were removed from the 
asymmetric unit and their intensity contributions were removed
by program Squeeze.
;



_vrf_PLAT213_I                   
;
PROBLEM: Atom C5 has ADP max/min Ratio ..... 9.6 prola
RESPONSE: This is due to disorder.
;
_vrf_PLAT241_I                   
;
PROBLEM: Check High Ueq as Compared to Neighbors for C5
RESPONSE: This is due to disorder.
;

_vrf_PLAT721_I                   
;
PROBLEM: Bond Calc 14.37000, Rep 0.98000 Dev... 13.39 Ang.
RESPONSE:Bonds between atoms of differnet disordered parts.
;
_vrf_PLAT722_I                   
;
PROBLEM: Angle Calc 131.00, Rep 109.50 Dev... 21.50 Deg.
RESPONSE: ablges between atoms of differnet disordered parts.
;

_vrf_PLAT770_I                   
;
PROBLEM: Suspect C-H Bond in CIF: C31? -- H32F .. 1.36 Ang.
RESPONSE: distances between atoms of differnet disordered parts.
;


_audit_update_record             
;
2012-08-29 # Formatted by publCIF
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H68 N8 O4 P4 Au2 Pt1, 2.5(C6 H6)'
_chemical_formula_sum            'C55 H83 Au2 N8 O4 P4 Pt'
_chemical_formula_weight         1633.20

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P-1   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.963(2)
_cell_length_b                   19.646(3)
_cell_length_c                   23.512(3)
_cell_angle_alpha                70.137(3)
_cell_angle_beta                 86.619(3)
_cell_angle_gamma                76.690(3)
_cell_volume                     6324.7(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9372
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      27.87

_exptl_crystal_description       plates
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3188
_exptl_absorpt_coefficient_mu    6.983
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.3920
_exptl_absorpt_correction_T_max  0.8023
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'Bruker Triumph'
_diffrn_measurement_device_type  'Bruker APEX-II DUO'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            136267
_diffrn_reflns_av_R_equivalents  0.0678
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.13
_diffrn_reflns_theta_max         27.50
_reflns_number_total             29055
_reflns_number_gt                19923
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'Bruker APEX2 (Bruker, 2008)'
_computing_cell_refinement       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT (Bruker, 2008)'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 2008)'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Olex2 v1.2.2'
_computing_publication_material  'Bruker SHELXTL'


_refine_special_details          
; 
 All H atoms were positioned geometrically ( C---H = 0.93/1.00 \%A) and allowed 
 to ride with <i>U</i>~iso~(H)= 1.2/1.5<i>U</i>~eq~(C). 
 Methyl ones were allowed to rotate around the corresponding C---C. 

The asymmetric unit consists of two Pt complexes and five benzene solvent
 molecules.  The benzene molecules were disordered and could not be modeled
 properly, thus program SQUEEZE, a part of the PLATON package of
 crystallographic software, was used to calculate the solvent disorder area and
 remove its contribution to the overall intensity data.  The C42, C34 and C36
 units were disordered and refined in two parts with their site occupation
 factors fixed (after refinements) at a ratio of 60/40.  The N8? nitro group did
 not refine properly thus it was constrained to maintain a geometry similar to
 the N4? nitro group.  

The highest residual peaks although too high, they do lie too close to the gold
 centers.  Models of the structure were refined with and without absorption
 corrections and the peaks persisted.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0977P)^2^+6.0041P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         29055
_refine_ls_number_parameters     1048
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0627
_refine_ls_wR_factor_ref         0.1737
_refine_ls_wR_factor_gt          0.1655
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.12046(2) 0.860506(17) -0.118076(15) 0.01103(8) Uani 1 1 d . . .
Au1 Au -0.03708(3) 0.72989(2) -0.078661(17) 0.02354(10) Uani 1 1 d . . .
Au2 Au 0.25518(3) 0.72346(2) 0.014908(17) 0.02305(10) Uani 1 1 d . . .
P1 P -0.0623(2) 0.6663(2) -0.13914(16) 0.0460(9) Uani 1 1 d . . .
P2 P 0.2758(2) 0.74616(16) 0.10098(13) 0.0321(7) Uani 1 1 d . . .
P3 P 0.21127(17) 0.88417(13) -0.20052(11) 0.0164(5) Uani 1 1 d . . .
P4 P 0.04183(17) 0.97656(12) -0.12402(11) 0.0150(5) Uani 1 1 d . . .
O1 O -0.3157(7) 0.6599(5) 0.2385(4) 0.053(3) Uani 1 1 d . . .
O2 O -0.3605(6) 0.6296(5) 0.1651(4) 0.042(2) Uani 1 1 d . . .
O3 O 0.5067(6) 0.3376(4) 0.0981(4) 0.043(2) Uani 1 1 d . . .
O4 O 0.5153(7) 0.3122(5) 0.0155(4) 0.061(3) Uani 1 1 d . . .
N1 N 0.0540(5) 0.8257(4) -0.0375(3) 0.0153(16) Uani 1 1 d . . .
N2 N 0.0683(5) 0.8479(4) 0.0101(3) 0.0168(16) Uani 1 1 d . . .
N3 N 0.0170(5) 0.8195(4) 0.0547(3) 0.0169(16) Uani 1 1 d . . .
N4 N -0.3067(10) 0.6556(5) 0.1880(6) 0.064(4) Uani 1 1 d . . .
N5 N 0.1747(5) 0.7501(4) -0.1055(3) 0.0158(16) Uani 1 1 d . . .
N6 N 0.1632(6) 0.7192(4) -0.1479(4) 0.0201(18) Uani 1 1 d . . .
N7 N 0.2112(6) 0.6488(4) -0.1296(4) 0.0250(19) Uani 1 1 d . . .
N8 N 0.4850(7) 0.3524(5) 0.0458(5) 0.037(2) Uani 1 1 d . . .
C1 C -0.0066(6) 0.7808(5) -0.0219(4) 0.0141(18) Uani 1 1 d . . .
C2 C -0.0304(6) 0.7781(5) 0.0370(4) 0.0160(19) Uani 1 1 d . . .
C3 C -0.0989(7) 0.7437(5) 0.0761(4) 0.0158(19) Uani 1 1 d . . .
C4 C -0.1149(8) 0.7514(6) 0.1323(5) 0.030(3) Uani 1 1 d . . .
H4A H -0.0784 0.7766 0.1461 0.035 Uiso 1 1 calc R . .
C5 C -0.1833(8) 0.7232(6) 0.1693(5) 0.033(3) Uani 1 1 d . . .
H5A H -0.1935 0.7293 0.2077 0.040 Uiso 1 1 calc R . .
C6 C -0.2367(8) 0.6856(6) 0.1492(5) 0.029(3) Uani 1 1 d . . .
C7 C -0.2185(8) 0.6745(6) 0.0953(5) 0.033(3) Uani 1 1 d . . .
H7B H -0.2530 0.6469 0.0827 0.040 Uiso 1 1 calc R . .
C8 C -0.1506(8) 0.7027(6) 0.0582(4) 0.026(2) Uani 1 1 d . . .
H8A H -0.1390 0.6944 0.0207 0.032 Uiso 1 1 calc R . .
C11 C -0.0120(18) 0.5684(15) -0.1126(14) 0.180(17) Uani 1 1 d . . .
H11A H -0.0625 0.5435 -0.0946 0.215 Uiso 1 1 calc R . .
H11D H 0.0065 0.5547 -0.1491 0.215 Uiso 1 1 calc R . .
C12 C 0.0614(19) 0.5346(10) -0.0721(10) 0.119(9) Uani 1 1 d . . .
H12A H 0.0732 0.4806 -0.0623 0.179 Uiso 1 1 calc R . .
H12B H 0.0470 0.5470 -0.0351 0.179 Uiso 1 1 calc R . .
H12C H 0.1161 0.5522 -0.0903 0.179 Uiso 1 1 calc R . .
C13 C -0.0198(12) 0.6993(13) -0.2153(8) 0.099(8) Uani 1 1 d . . .
H13A H 0.0481 0.6890 -0.2139 0.119 Uiso 1 1 calc R . .
H13B H -0.0382 0.6726 -0.2400 0.119 Uiso 1 1 calc R . .
C14 C -0.057(2) 0.7804(14) -0.2438(7) 0.162(15) Uani 1 1 d . . .
H14A H -0.0333 0.7974 -0.2847 0.243 Uiso 1 1 calc R . .
H14B H -0.0386 0.8068 -0.2195 0.243 Uiso 1 1 calc R . .
H14C H -0.1244 0.7904 -0.2460 0.243 Uiso 1 1 calc R . .
C15 C -0.1831(9) 0.6690(8) -0.1494(6) 0.047(3) Uani 1 1 d . . .
H15A H -0.2152 0.7210 -0.1706 0.056 Uiso 1 1 calc R . .
H15B H -0.1876 0.6397 -0.1755 0.056 Uiso 1 1 calc R . .
C16 C -0.2317(12) 0.6393(10) -0.0908(8) 0.083(6) Uani 1 1 d . . .
H16A H -0.2959 0.6424 -0.0997 0.125 Uiso 1 1 calc R . .
H16B H -0.2292 0.6690 -0.0650 0.125 Uiso 1 1 calc R . .
H16C H -0.2013 0.5875 -0.0698 0.125 Uiso 1 1 calc R . .
C21 C 0.2284(6) 0.6997(5) -0.0585(4) 0.0151(19) Uani 1 1 d . . .
C22 C 0.2524(7) 0.6348(5) -0.0746(4) 0.019(2) Uani 1 1 d . . .
C23 C 0.3115(7) 0.5622(5) -0.0438(4) 0.020(2) Uani 1 1 d . . .
C24 C 0.3536(8) 0.5478(6) 0.0114(5) 0.028(2) Uani 1 1 d . . .
H24A H 0.3427 0.5856 0.0293 0.034 Uiso 1 1 calc R . .
C25 C 0.4114(7) 0.4794(5) 0.0412(4) 0.024(2) Uani 1 1 d . . .
H25A H 0.4400 0.4698 0.0790 0.029 Uiso 1 1 calc R . .
C26 C 0.4254(7) 0.4257(5) 0.0136(5) 0.023(2) Uani 1 1 d . . .
C27 C 0.3862(8) 0.4381(5) -0.0405(5) 0.028(2) Uani 1 1 d . . .
H27A H 0.3987 0.4005 -0.0586 0.034 Uiso 1 1 calc R . .
C28 C 0.3282(7) 0.5054(5) -0.0691(5) 0.025(2) Uani 1 1 d . . .
H28A H 0.2991 0.5135 -0.1064 0.030 Uiso 1 1 calc R . .
C31 C 0.3928(8) 0.7080(6) 0.1307(6) 0.039(3) Uani 1 1 d . . .
H31A H 0.4354 0.7301 0.0998 0.047 Uiso 1 1 calc R . .
H31B H 0.3992 0.7219 0.1667 0.047 Uiso 1 1 calc R . .
C32 C 0.4195(9) 0.6247(6) 0.1479(5) 0.040(3) Uani 1 1 d . . .
H32A H 0.4830 0.6068 0.1636 0.060 Uiso 1 1 calc R . .
H32B H 0.4146 0.6106 0.1122 0.060 Uiso 1 1 calc R . .
H32C H 0.3784 0.6024 0.1791 0.060 Uiso 1 1 calc R . .
C33 C 0.1971(9) 0.7051(7) 0.1621(5) 0.041(3) Uani 1 1 d . . .
H33A H 0.1328 0.7314 0.1496 0.049 Uiso 1 1 calc R . .
H33B H 0.2032 0.6524 0.1663 0.049 Uiso 1 1 calc R . .
C34 C 0.2166(10) 0.7097(9) 0.2231(5) 0.063(5) Uani 1 1 d . . .
H34A H 0.1736 0.6875 0.2528 0.095 Uiso 1 1 calc R . .
H34B H 0.2092 0.7619 0.2197 0.095 Uiso 1 1 calc R . .
H34C H 0.2796 0.6828 0.2364 0.095 Uiso 1 1 calc R . .
C35 C 0.2520(9) 0.8448(7) 0.0916(6) 0.043(3) Uani 1 1 d . . .
H35A H 0.1854 0.8663 0.0837 0.051 Uiso 1 1 calc R . .
H35B H 0.2688 0.8507 0.1295 0.051 Uiso 1 1 calc R . .
C36 C 0.3041(12) 0.8859(7) 0.0409(6) 0.055(4) Uani 1 1 d . . .
H36A H 0.2899 0.9385 0.0372 0.082 Uiso 1 1 calc R . .
H36B H 0.2867 0.8811 0.0031 0.082 Uiso 1 1 calc R . .
H36C H 0.3701 0.8653 0.0488 0.082 Uiso 1 1 calc R . .
C41 C 0.3244(7) 0.8251(6) -0.1806(5) 0.027(2) Uani 1 1 d . . .
H41A H 0.3193 0.7726 -0.1645 0.032 Uiso 1 1 calc R . .
H41B H 0.3617 0.8315 -0.2175 0.032 Uiso 1 1 calc R . .
C42 C 0.3739(8) 0.8421(6) -0.1332(5) 0.035(3) Uani 1 1 d . . .
H42A H 0.4348 0.8086 -0.1239 0.052 Uiso 1 1 calc R . .
H42B H 0.3378 0.8350 -0.0963 0.052 Uiso 1 1 calc R . .
H42C H 0.3806 0.8937 -0.1493 0.052 Uiso 1 1 calc R . .
C43 C 0.2347(7) 0.9769(5) -0.2352(4) 0.021(2) Uani 1 1 d . . .
H43A H 0.1792 1.0108 -0.2582 0.025 Uiso 1 1 calc R . .
H43B H 0.2462 0.9953 -0.2026 0.025 Uiso 1 1 calc R . .
C44 C 0.3175(7) 0.9806(6) -0.2782(5) 0.031(3) Uani 1 1 d . . .
H44A H 0.3250 1.0320 -0.2949 0.047 Uiso 1 1 calc R . .
H44B H 0.3065 0.9636 -0.3113 0.047 Uiso 1 1 calc R . .
H44C H 0.3735 0.9487 -0.2556 0.047 Uiso 1 1 calc R . .
C45 C 0.1741(8) 0.8624(6) -0.2637(5) 0.032(3) Uani 1 1 d . . .
H45A H 0.2251 0.8611 -0.2924 0.039 Uiso 1 1 calc R . .
H45B H 0.1610 0.8122 -0.2481 0.039 Uiso 1 1 calc R . .
C46 C 0.0885(10) 0.9178(8) -0.2980(6) 0.056(4) Uani 1 1 d . . .
H46A H 0.0729 0.9030 -0.3314 0.085 Uiso 1 1 calc R . .
H46B H 0.1010 0.9676 -0.3142 0.085 Uiso 1 1 calc R . .
H46C H 0.0369 0.9181 -0.2703 0.085 Uiso 1 1 calc R . .
C51 C 0.0808(7) 1.0137(5) -0.0720(4) 0.023(2) Uani 1 1 d . . .
H51A H 0.0346 1.0585 -0.0715 0.027 Uiso 1 1 calc R . .
H51B H 0.0850 0.9766 -0.0308 0.027 Uiso 1 1 calc R . .
C52 C 0.1752(9) 1.0346(7) -0.0877(6) 0.043(3) Uani 1 1 d . . .
H52A H 0.1922 1.0542 -0.0577 0.065 Uiso 1 1 calc R . .
H52B H 0.1714 1.0724 -0.1280 0.065 Uiso 1 1 calc R . .
H52C H 0.2219 0.9903 -0.0874 0.065 Uiso 1 1 calc R . .
C53 C -0.0769(7) 0.9738(5) -0.1031(5) 0.026(2) Uani 1 1 d . . .
H53A H -0.0777 0.9372 -0.0621 0.031 Uiso 1 1 calc R . .
H53B H -0.1097 1.0231 -0.1018 0.031 Uiso 1 1 calc R . .
C54 C -0.1278(7) 0.9530(7) -0.1470(6) 0.038(3) Uani 1 1 d . . .
H54A H -0.1910 0.9523 -0.1337 0.058 Uiso 1 1 calc R . .
H54B H -0.0965 0.9038 -0.1479 0.058 Uiso 1 1 calc R . .
H54C H -0.1287 0.9897 -0.1876 0.058 Uiso 1 1 calc R . .
C55 C 0.0297(7) 1.0524(5) -0.1955(4) 0.021(2) Uani 1 1 d . . .
H55A H 0.0904 1.0647 -0.2060 0.025 Uiso 1 1 calc R . .
H55B H 0.0122 1.0348 -0.2271 0.025 Uiso 1 1 calc R . .
C56 C -0.0395(7) 1.1228(5) -0.1975(5) 0.029(2) Uani 1 1 d . . .
H56A H -0.0404 1.1601 -0.2378 0.043 Uiso 1 1 calc R . .
H56B H -0.0223 1.1419 -0.1672 0.043 Uiso 1 1 calc R . .
H56C H -0.1006 1.1121 -0.1888 0.043 Uiso 1 1 calc R . .
Pt1' Pt 0.60471(3) 0.357790(18) 0.385015(15) 0.01518(9) Uani 1 1 d . . .
Au1' Au 0.42621(4) 0.25309(2) 0.417890(18) 0.03393(13) Uani 1 1 d . . .
Au2' Au 0.75192(3) 0.21424(2) 0.509164(19) 0.03088(11) Uani 1 1 d . D .
P1' P 0.3902(3) 0.20372(18) 0.34973(13) 0.0398(8) Uani 1 1 d . . .
P2' P 0.8111(3) 0.2326(2) 0.58649(18) 0.0545(10) Uani 1 1 d . . .
P3' P 0.53989(17) 0.47609(12) 0.38136(10) 0.0147(5) Uani 1 1 d . . .
P4' P 0.6888(2) 0.37742(13) 0.29951(11) 0.0229(6) Uani 1 1 d . . .
O1' O 0.1033(13) 0.1627(12) 0.6703(5) 0.172(10) Uani 1 1 d D . .
N4' N 0.1618(16) 0.1858(11) 0.6921(7) 0.135(9) Uani 1 1 d D . .
O2' O 0.1686(8) 0.1744(6) 0.7454(5) 0.067(3) Uani 1 1 d D . .
O3' O 0.8919(9) -0.2183(6) 0.5261(7) 0.116(4) Uani 1 1 d D . .
N8' N 0.9161(12) -0.1642(9) 0.5381(9) 0.116(4) Uani 1 1 d D . .
O4' O 0.9769(10) -0.1712(7) 0.5743(7) 0.116(4) Uani 1 1 d D . .
N1' N 0.5411(6) 0.3260(4) 0.4666(3) 0.0196(18) Uani 1 1 d . . .
N2' N 0.5640(6) 0.3419(4) 0.5152(3) 0.0183(17) Uani 1 1 d . . .
N3' N 0.5083(6) 0.3179(4) 0.5594(3) 0.0196(18) Uani 1 1 d . . .
N5' N 0.6477(6) 0.2459(4) 0.3960(3) 0.024(2) Uani 1 1 d . D .
N6' N 0.6232(8) 0.2174(4) 0.3558(4) 0.036(3) Uani 1 1 d . . .
N7' N 0.6585(8) 0.1454(5) 0.3737(4) 0.044(3) Uani 1 1 d . . .
C1' C 0.4685(7) 0.2915(5) 0.4799(4) 0.022(2) Uani 1 1 d . . .
C2' C 0.4472(8) 0.2879(5) 0.5395(5) 0.027(2) Uani 1 1 d . . .
C3' C 0.3751(8) 0.2600(6) 0.5782(5) 0.030(3) Uani 1 1 d . . .
C4' C 0.3045(14) 0.2421(12) 0.5570(6) 0.103(8) Uani 1 1 d . . .
H4'A H 0.3004 0.2494 0.5151 0.124 Uiso 1 1 calc R . .
C5' C 0.2379(17) 0.2131(14) 0.5956(7) 0.145(12) Uani 1 1 d . . .
H5'A H 0.1925 0.1963 0.5807 0.173 Uiso 1 1 calc R . .
C6' C 0.2380(11) 0.2091(8) 0.6529(6) 0.059(4) Uani 1 1 d . . .
C7' C 0.3049(9) 0.2300(7) 0.6740(5) 0.041(3) Uani 1 1 d . . .
H7'B H 0.3054 0.2269 0.7152 0.049 Uiso 1 1 calc R . .
C8' C 0.3725(9) 0.2558(7) 0.6367(5) 0.037(3) Uani 1 1 d . . .
H8'A H 0.4186 0.2711 0.6525 0.045 Uiso 1 1 calc R . .
C11' C 0.4178(11) 0.2533(7) 0.2704(5) 0.048(4) Uani 1 1 d . . .
H11B H 0.3752 0.3027 0.2563 0.058 Uiso 1 1 calc R . .
H11C H 0.4808 0.2614 0.2698 0.058 Uiso 1 1 calc R . .
C12' C 0.4117(11) 0.2123(8) 0.2257(6) 0.063(4) Uani 1 1 d . . .
H12D H 0.4278 0.2416 0.1852 0.095 Uiso 1 1 calc R . .
H12E H 0.3490 0.2056 0.2247 0.095 Uiso 1 1 calc R . .
H12F H 0.4545 0.1636 0.2388 0.095 Uiso 1 1 calc R . .
C13' C 0.2670(10) 0.1980(7) 0.3495(6) 0.049(3) Uani 1 1 d . . .
H13C H 0.2572 0.1763 0.3186 0.059 Uiso 1 1 calc R . .
H13D H 0.2525 0.1647 0.3894 0.059 Uiso 1 1 calc R . .
C14' C 0.2005(11) 0.2766(9) 0.3354(8) 0.074(5) Uani 1 1 d . . .
H14D H 0.1368 0.2717 0.3358 0.111 Uiso 1 1 calc R . .
H14E H 0.2139 0.3093 0.2955 0.111 Uiso 1 1 calc R . .
H14F H 0.2095 0.2978 0.3663 0.111 Uiso 1 1 calc R . .
C15' C 0.4544(10) 0.1092(6) 0.3647(5) 0.042(3) Uani 1 1 d . . .
H15C H 0.4252 0.0857 0.3420 0.050 Uiso 1 1 calc R . .
H15D H 0.5174 0.1100 0.3495 0.050 Uiso 1 1 calc R . .
C16' C 0.4602(12) 0.0625(7) 0.4310(6) 0.061(4) Uani 1 1 d . . .
H16D H 0.4964 0.0123 0.4361 0.092 Uiso 1 1 calc R . .
H16E H 0.3982 0.0597 0.4461 0.092 Uiso 1 1 calc R . .
H16F H 0.4896 0.0851 0.4539 0.092 Uiso 1 1 calc R . .
C21' C 0.7033(8) 0.1931(5) 0.4379(4) 0.027(2) Uani 1 1 d . . .
C22' C 0.7135(9) 0.1296(5) 0.4244(5) 0.037(3) Uani 1 1 d . D .
C23' C 0.7659(11) 0.0557(6) 0.4528(6) 0.048(4) Uani 1 1 d . . .
C24' C 0.7338(11) -0.0064(7) 0.4451(6) 0.059(4) Uani 1 1 d . D .
H24B H 0.6810 0.0028 0.4208 0.071 Uiso 1 1 calc R . .
C25' C 0.7829(13) -0.0793(7) 0.4743(7) 0.074(5) Uani 1 1 d . . .
H25B H 0.7641 -0.1210 0.4714 0.088 Uiso 1 1 calc R D .
C26' C 0.8665(14) -0.0879(8) 0.5104(8) 0.081(6) Uani 1 1 d . D .
C27' C 0.8918(12) -0.0315(8) 0.5192(8) 0.081(6) Uani 1 1 d . . .
H27B H 0.9427 -0.0394 0.5448 0.097 Uiso 1 1 calc R D .
C28' C 0.8394(10) 0.0413(7) 0.4884(8) 0.068(5) Uani 1 1 d . D .
H28B H 0.8576 0.0821 0.4934 0.082 Uiso 1 1 calc R . .
C32' C 0.9714(13) 0.1198(11) 0.5993(9) 0.103(7) Uani 1 1 d . . .
H32D H 1.0120 0.0744 0.6251 0.154 Uiso 0.60 1 calc PR A 1
H32E H 1.0056 0.1591 0.5838 0.154 Uiso 0.60 1 calc PR A 1
H32F H 0.9482 0.1101 0.5653 0.154 Uiso 0.60 1 calc PR A 1
H32G H 1.0364 0.1050 0.6115 0.154 Uiso 0.40 1 d PR A 2
H32H H 0.9657 0.1244 0.5568 0.154 Uiso 0.40 1 d PR A 2
H32K H 0.9393 0.0822 0.6245 0.154 Uiso 0.40 1 d PR A 2
C34' C 0.8181(16) 0.3772(9) 0.5282(10) 0.120(9) Uani 1 1 d . . .
H34D H 0.8519 0.4166 0.5113 0.180 Uiso 0.60 1 calc PR B 1
H34E H 0.7770 0.3881 0.5595 0.180 Uiso 0.60 1 calc PR B 1
H34F H 0.7819 0.3744 0.4960 0.180 Uiso 0.60 1 calc PR B 1
H34G H 0.8038 0.4305 0.5217 0.180 Uiso 0.40 1 d PR B 2
H34H H 0.7963 0.3688 0.4932 0.180 Uiso 0.40 1 d PR B 2
H34K H 0.8847 0.3577 0.5333 0.180 Uiso 0.40 1 d PR B 2
C36' C 0.6816(10) 0.2030(8) 0.6708(7) 0.058(4) Uani 1 1 d . . .
H36D H 0.6372 0.2246 0.6958 0.087 Uiso 0.60 1 calc PR C 1
H36E H 0.7258 0.1604 0.6970 0.087 Uiso 0.60 1 calc PR C 1
H36F H 0.6492 0.1866 0.6446 0.087 Uiso 0.60 1 calc PR C 1
H36G H 0.6597 0.1758 0.7102 0.087 Uiso 0.40 1 d PR C 2
H36H H 0.6474 0.1982 0.6386 0.087 Uiso 0.40 1 d PR C 2
H36K H 0.6719 0.2556 0.6666 0.087 Uiso 0.40 1 d PR C 2
C31' C 0.8915(14) 0.1442(11) 0.6357(9) 0.039(5) Uiso 0.60 1 d P D 1
H31C H 0.9148 0.1533 0.6703 0.047 Uiso 0.60 1 calc PR D 1
H31D H 0.8573 0.1043 0.6518 0.047 Uiso 0.60 1 calc PR D 1
C33' C 0.8887(16) 0.3000(12) 0.5570(10) 0.052(6) Uiso 0.60 1 d P D 1
H33C H 0.9256 0.3010 0.5902 0.062 Uiso 0.60 1 calc PR D 1
H33D H 0.9306 0.2871 0.5262 0.062 Uiso 0.60 1 calc PR D 1
C35' C 0.7361(16) 0.2656(13) 0.6289(10) 0.051(6) Uiso 0.60 1 d P D 1
H35C H 0.6911 0.3089 0.6030 0.061 Uiso 0.60 1 calc PR D 1
H35D H 0.7677 0.2829 0.6554 0.061 Uiso 0.60 1 calc PR D 1
C32A C 0.922(3) 0.206(2) 0.6084(19) 0.067(11) Uiso 0.40 1 d P D 2
H32L H 0.9277 0.2013 0.6513 0.080 Uiso 0.40 1 calc PR D 2
H32M H 0.9559 0.2435 0.5838 0.080 Uiso 0.40 1 calc PR D 2
C34A C 0.760(3) 0.3287(18) 0.5971(16) 0.051(9) Uiso 0.40 1 d P D 2
H34L H 0.6926 0.3435 0.5938 0.061 Uiso 0.40 1 calc PR D 2
H34M H 0.7825 0.3323 0.6346 0.061 Uiso 0.40 1 calc PR D 2
C36A C 0.778(2) 0.1729(17) 0.6664(14) 0.043(8) Uiso 0.40 1 d P D 2
H36L H 0.7888 0.1200 0.6700 0.052 Uiso 0.40 1 calc PR D 2
H36M H 0.8135 0.1773 0.6985 0.052 Uiso 0.40 1 calc PR D 2
C41' C 0.4199(7) 0.4837(5) 0.4061(4) 0.026(2) Uani 1 1 d . . .
H41C H 0.4184 0.4476 0.4473 0.031 Uiso 1 1 calc R . .
H41D H 0.3953 0.5341 0.4082 0.031 Uiso 1 1 calc R . .
C42' C 0.3578(9) 0.4692(7) 0.3633(6) 0.049(4) Uani 1 1 d . . .
H42D H 0.2949 0.4739 0.3784 0.074 Uiso 1 1 calc R . .
H42E H 0.3810 0.4189 0.3619 0.074 Uiso 1 1 calc R . .
H42F H 0.3580 0.5055 0.3227 0.074 Uiso 1 1 calc R . .
C43' C 0.5920(7) 0.5086(5) 0.4323(4) 0.021(2) Uani 1 1 d . . .
H43C H 0.5499 0.5539 0.4357 0.025 Uiso 1 1 calc R . .
H43D H 0.5992 0.4702 0.4730 0.025 Uiso 1 1 calc R . .
C44' C 0.6864(9) 0.5261(7) 0.4119(6) 0.045(3) Uani 1 1 d . . .
H44D H 0.7107 0.5429 0.4414 0.068 Uiso 1 1 calc R . .
H44E H 0.6797 0.5653 0.3722 0.068 Uiso 1 1 calc R . .
H44F H 0.7289 0.4813 0.4091 0.068 Uiso 1 1 calc R . .
C45' C 0.5303(6) 0.5512(5) 0.3094(4) 0.0165(19) Uani 1 1 d . . .
H45C H 0.5926 0.5588 0.2969 0.020 Uiso 1 1 calc R . .
H45D H 0.5055 0.5359 0.2786 0.020 Uiso 1 1 calc R . .
C46' C 0.4692(7) 0.6253(5) 0.3095(4) 0.021(2) Uani 1 1 d . . .
H46D H 0.4673 0.6624 0.2690 0.031 Uiso 1 1 calc R . .
H46E H 0.4944 0.6422 0.3386 0.031 Uiso 1 1 calc R . .
H46F H 0.4070 0.6188 0.3211 0.031 Uiso 1 1 calc R . .
C51' C 0.7206(7) 0.4660(5) 0.2638(5) 0.026(2) Uani 1 1 d . . .
H51C H 0.6671 0.5020 0.2399 0.031 Uiso 1 1 calc R . .
H51D H 0.7339 0.4845 0.2960 0.031 Uiso 1 1 calc R . .
C52' C 0.8035(8) 0.4652(6) 0.2222(5) 0.032(3) Uani 1 1 d . . .
H52D H 0.8149 0.5153 0.2052 0.048 Uiso 1 1 calc R . .
H52E H 0.7908 0.4484 0.1893 0.048 Uiso 1 1 calc R . .
H52F H 0.8578 0.4312 0.2456 0.048 Uiso 1 1 calc R . .
C53' C 0.7963(10) 0.3100(6) 0.3130(6) 0.055(4) Uani 1 1 d . . .
H53C H 0.7841 0.2595 0.3279 0.066 Uiso 1 1 calc R . .
H53D H 0.8291 0.3159 0.2744 0.066 Uiso 1 1 calc R . .
C54' C 0.8568(11) 0.3178(10) 0.3585(7) 0.076(5) Uani 1 1 d . . .
H54D H 0.9143 0.2799 0.3647 0.114 Uiso 1 1 calc R . .
H54E H 0.8250 0.3113 0.3970 0.114 Uiso 1 1 calc R . .
H54F H 0.8705 0.3673 0.3435 0.114 Uiso 1 1 calc R . .
C55' C 0.6330(10) 0.3633(6) 0.2383(5) 0.044(3) Uani 1 1 d . . .
H55C H 0.6741 0.3706 0.2032 0.053 Uiso 1 1 calc R . .
H55D H 0.6273 0.3110 0.2519 0.053 Uiso 1 1 calc R . .
C56' C 0.5388(11) 0.4128(7) 0.2168(5) 0.052(4) Uani 1 1 d . . .
H56D H 0.5160 0.4004 0.1842 0.079 Uiso 1 1 calc R . .
H56E H 0.5433 0.4649 0.2018 0.079 Uiso 1 1 calc R . .
H56F H 0.4963 0.4050 0.2506 0.079 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.01078(17) 0.01128(15) 0.01205(17) -0.00672(13) 0.00264(13) -0.00078(13)
Au1 0.0243(2) 0.0389(2) 0.0185(2) -0.01798(17) 0.00788(16) -0.01759(18)
Au2 0.0324(2) 0.01905(18) 0.0172(2) -0.01133(15) -0.00822(16) 0.00534(16)
P1 0.041(2) 0.084(3) 0.044(2) -0.0507(19) 0.0124(16) -0.0320(19)
P2 0.0372(18) 0.0334(15) 0.0274(16) -0.0181(13) -0.0127(13) 0.0041(13)
P3 0.0166(13) 0.0176(11) 0.0133(12) -0.0075(9) 0.0030(10) 0.0026(10)
P4 0.0150(12) 0.0119(10) 0.0174(12) -0.0060(9) 0.0078(10) -0.0017(9)
O1 0.061(7) 0.065(6) 0.051(6) -0.035(5) 0.037(5) -0.033(5)
O2 0.036(5) 0.050(5) 0.045(5) -0.008(4) 0.009(4) -0.033(4)
O3 0.056(6) 0.027(4) 0.034(5) -0.008(4) -0.011(4) 0.012(4)
O4 0.083(8) 0.037(5) 0.052(6) -0.023(4) -0.015(5) 0.023(5)
N1 0.013(4) 0.015(4) 0.020(4) -0.010(3) 0.005(3) -0.003(3)
N2 0.019(4) 0.013(4) 0.018(4) -0.005(3) 0.004(3) -0.004(3)
N3 0.018(4) 0.016(4) 0.017(4) -0.008(3) 0.005(3) -0.004(3)
N4 0.093(11) 0.017(5) 0.072(9) -0.012(5) 0.042(8) -0.008(6)
N5 0.014(4) 0.013(4) 0.018(4) -0.007(3) 0.004(3) 0.002(3)
N6 0.025(5) 0.015(4) 0.020(4) -0.011(3) -0.004(4) 0.006(3)
N7 0.031(5) 0.018(4) 0.025(5) -0.012(4) -0.006(4) 0.005(4)
N8 0.051(7) 0.019(4) 0.037(6) -0.011(4) -0.001(5) 0.008(4)
C1 0.008(4) 0.016(4) 0.017(5) -0.004(4) -0.002(4) -0.001(3)
C2 0.017(5) 0.018(4) 0.016(5) -0.009(4) 0.002(4) -0.007(4)
C3 0.022(5) 0.014(4) 0.013(4) -0.005(4) 0.004(4) -0.006(4)
C4 0.044(7) 0.038(6) 0.024(6) -0.026(5) 0.023(5) -0.025(5)
C5 0.053(8) 0.038(6) 0.024(6) -0.019(5) 0.026(5) -0.031(6)
C6 0.036(6) 0.026(5) 0.033(6) -0.014(5) 0.022(5) -0.022(5)
C7 0.036(7) 0.043(7) 0.027(6) -0.008(5) 0.009(5) -0.028(6)
C8 0.035(6) 0.031(5) 0.017(5) -0.006(4) 0.013(4) -0.021(5)
C11 0.14(2) 0.17(3) 0.29(4) -0.21(3) -0.11(3) 0.07(2)
C12 0.20(3) 0.051(11) 0.106(17) -0.028(11) 0.022(18) -0.036(15)
C13 0.073(12) 0.22(2) 0.095(14) -0.124(16) 0.055(11) -0.108(15)
C14 0.33(4) 0.20(3) 0.022(9) -0.020(12) 0.009(14) -0.21(3)
C15 0.038(8) 0.075(9) 0.047(8) -0.028(7) 0.009(6) -0.040(7)
C16 0.098(14) 0.100(13) 0.099(14) -0.073(11) 0.063(11) -0.069(12)
C21 0.018(5) 0.009(4) 0.018(5) -0.008(3) 0.000(4) 0.004(3)
C22 0.021(5) 0.018(4) 0.016(5) -0.007(4) 0.005(4) 0.001(4)
C23 0.027(6) 0.017(4) 0.016(5) -0.004(4) 0.004(4) -0.005(4)
C24 0.035(6) 0.023(5) 0.028(6) -0.012(4) -0.005(5) 0.000(5)
C25 0.030(6) 0.021(5) 0.012(5) -0.004(4) -0.007(4) 0.013(4)
C26 0.021(5) 0.014(4) 0.028(6) -0.009(4) 0.007(4) 0.006(4)
C27 0.036(7) 0.019(5) 0.025(6) -0.010(4) -0.003(5) 0.009(4)
C28 0.030(6) 0.019(5) 0.025(6) -0.011(4) -0.006(5) 0.002(4)
C31 0.042(7) 0.025(6) 0.046(7) -0.006(5) -0.024(6) -0.003(5)
C32 0.046(8) 0.036(6) 0.040(7) -0.014(5) -0.010(6) -0.008(6)
C33 0.034(7) 0.055(8) 0.030(7) -0.017(6) -0.007(5) 0.006(6)
C34 0.043(9) 0.112(13) 0.022(7) -0.026(8) -0.007(6) 0.012(8)
C35 0.046(8) 0.044(7) 0.045(8) -0.028(6) -0.017(6) 0.004(6)
C36 0.096(13) 0.036(7) 0.041(8) -0.020(6) 0.001(8) -0.019(8)
C41 0.020(6) 0.026(5) 0.022(5) -0.001(4) 0.006(4) 0.007(4)
C42 0.027(6) 0.036(6) 0.028(6) 0.000(5) 0.003(5) 0.001(5)
C43 0.029(6) 0.012(4) 0.018(5) -0.004(4) 0.011(4) -0.001(4)
C44 0.026(6) 0.033(6) 0.026(6) -0.005(5) 0.013(5) -0.001(5)
C45 0.051(8) 0.026(5) 0.020(5) -0.013(4) 0.007(5) -0.002(5)
C46 0.078(11) 0.058(9) 0.039(8) -0.019(7) -0.028(8) -0.013(8)
C51 0.030(6) 0.017(4) 0.023(5) -0.013(4) 0.008(4) 0.000(4)
C52 0.061(9) 0.045(7) 0.041(7) -0.020(6) 0.005(6) -0.035(7)
C53 0.018(5) 0.023(5) 0.029(6) -0.002(4) 0.008(4) -0.001(4)
C54 0.010(5) 0.042(7) 0.056(8) -0.008(6) 0.004(5) -0.005(5)
C55 0.021(5) 0.014(4) 0.027(5) -0.010(4) 0.008(4) 0.000(4)
C56 0.029(6) 0.016(5) 0.035(6) -0.006(4) 0.015(5) 0.000(4)
Pt1' 0.0233(2) 0.01185(16) 0.00972(17) -0.00532(13) 0.00439(14) -0.00102(14)
Au1' 0.0601(3) 0.0385(2) 0.0168(2) -0.01415(18) 0.0097(2) -0.0321(2)
Au2' 0.0311(3) 0.0281(2) 0.0266(2) -0.00580(17) -0.00590(18) 0.00301(18)
P1' 0.066(2) 0.0455(18) 0.0247(16) -0.0195(14) 0.0074(15) -0.0342(17)
P2' 0.065(3) 0.043(2) 0.056(2) -0.0147(17) -0.031(2) -0.0068(18)
P3' 0.0169(12) 0.0147(11) 0.0121(11) -0.0062(9) 0.0018(9) -0.0005(9)
P4' 0.0339(16) 0.0151(11) 0.0140(12) -0.0041(10) 0.0111(11) 0.0016(11)
O1' 0.216(19) 0.31(2) 0.052(8) -0.016(11) 0.005(10) -0.238(19)
N4' 0.23(3) 0.158(18) 0.056(11) -0.034(11) 0.072(14) -0.147(18)
O2' 0.081(8) 0.080(7) 0.059(7) -0.027(6) 0.034(6) -0.059(6)
O3' 0.103(8) 0.052(5) 0.150(9) -0.009(6) -0.014(6) 0.033(5)
N8' 0.103(8) 0.052(5) 0.150(9) -0.009(6) -0.014(6) 0.033(5)
O4' 0.103(8) 0.052(5) 0.150(9) -0.009(6) -0.014(6) 0.033(5)
N1' 0.034(5) 0.012(4) 0.010(4) -0.005(3) 0.006(3) 0.002(3)
N2' 0.026(5) 0.017(4) 0.014(4) -0.007(3) 0.009(3) -0.008(3)
N3' 0.031(5) 0.016(4) 0.012(4) -0.008(3) 0.010(3) -0.003(3)
N5' 0.045(6) 0.015(4) 0.014(4) -0.005(3) 0.010(4) -0.009(4)
N6' 0.073(8) 0.015(4) 0.020(5) -0.012(4) 0.014(5) -0.005(4)
N7' 0.091(9) 0.018(4) 0.021(5) -0.007(4) 0.012(5) -0.009(5)
C1' 0.034(6) 0.024(5) 0.014(5) -0.009(4) 0.005(4) -0.014(5)
C2' 0.042(7) 0.023(5) 0.025(5) -0.010(4) 0.010(5) -0.023(5)
C3' 0.046(7) 0.031(6) 0.021(5) -0.008(4) 0.008(5) -0.026(5)
C4' 0.140(17) 0.20(2) 0.021(7) -0.038(10) 0.029(9) -0.147(17)
C5' 0.23(3) 0.25(3) 0.050(10) -0.084(14) 0.092(14) -0.23(3)
C6' 0.079(11) 0.079(10) 0.038(8) -0.016(7) 0.029(7) -0.069(9)
C7' 0.053(8) 0.048(7) 0.032(7) -0.023(6) 0.012(6) -0.020(6)
C8' 0.046(8) 0.053(7) 0.030(6) -0.027(6) 0.017(6) -0.026(6)
C11' 0.096(12) 0.052(8) 0.012(5) -0.014(5) 0.001(6) -0.041(8)
C12' 0.075(12) 0.069(10) 0.038(8) -0.013(7) -0.008(8) -0.005(9)
C13' 0.063(10) 0.054(8) 0.047(8) -0.026(7) -0.002(7) -0.032(7)
C14' 0.050(10) 0.094(13) 0.078(12) -0.035(10) -0.002(9) -0.008(9)
C15' 0.064(9) 0.031(6) 0.038(7) -0.014(5) -0.008(6) -0.021(6)
C16' 0.097(13) 0.045(8) 0.041(8) -0.009(6) -0.003(8) -0.022(8)
C21' 0.036(6) 0.022(5) 0.018(5) -0.005(4) 0.011(5) -0.003(5)
C22' 0.068(9) 0.013(5) 0.023(6) -0.005(4) 0.018(6) -0.001(5)
C23' 0.071(10) 0.019(5) 0.033(7) -0.001(5) 0.012(7) 0.013(6)
C24' 0.084(12) 0.036(7) 0.054(9) -0.019(6) -0.017(8) 0.003(7)
C25' 0.105(15) 0.027(7) 0.073(11) -0.012(7) 0.015(11) 0.005(8)
C26' 0.098(15) 0.036(8) 0.069(11) -0.005(8) 0.009(10) 0.044(9)
C27' 0.062(11) 0.038(8) 0.105(14) 0.012(9) 0.025(10) 0.001(8)
C28' 0.039(9) 0.025(6) 0.114(14) -0.005(8) 0.028(9) 0.008(6)
C32' 0.080(15) 0.091(14) 0.117(17) -0.037(13) -0.021(13) 0.029(12)
C34' 0.16(2) 0.036(9) 0.15(2) 0.003(11) -0.053(17) -0.033(12)
C36' 0.059(10) 0.048(8) 0.070(10) -0.019(7) 0.008(8) -0.020(7)
C41' 0.034(6) 0.017(5) 0.020(5) -0.001(4) 0.009(5) -0.004(4)
C42' 0.032(7) 0.041(7) 0.060(9) 0.007(6) -0.018(6) -0.013(6)
C43' 0.026(6) 0.022(5) 0.021(5) -0.015(4) 0.003(4) -0.005(4)
C44' 0.056(9) 0.042(7) 0.048(8) -0.013(6) -0.020(7) -0.026(6)
C45' 0.013(5) 0.017(4) 0.018(5) -0.007(4) 0.002(4) 0.002(4)
C46' 0.021(5) 0.020(5) 0.019(5) -0.006(4) -0.002(4) 0.000(4)
C51' 0.025(6) 0.016(5) 0.031(6) -0.006(4) 0.012(5) -0.003(4)
C52' 0.031(6) 0.029(6) 0.031(6) -0.005(5) 0.013(5) -0.005(5)
C53' 0.066(10) 0.028(6) 0.041(8) 0.000(5) 0.039(7) 0.022(6)
C54' 0.054(10) 0.093(13) 0.043(9) 0.016(8) 0.001(8) -0.001(9)
C55' 0.085(11) 0.026(6) 0.024(6) -0.012(5) 0.023(7) -0.019(6)
C56' 0.095(12) 0.043(7) 0.027(7) -0.018(6) -0.014(7) -0.018(8)

_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
Pt1 N5 2.057(7) . ?
Pt1 N1 2.064(7) . ?
Pt1 P4 2.274(2) . ?
Pt1 P3 2.278(2) . ?
Au1 C1 2.044(9) . ?
Au1 P1 2.284(3) . ?
Au2 C21 2.017(9) . ?
Au2 P2 2.267(3) . ?
P1 C11 1.80(2) . ?
P1 C13 1.817(17) . ?
P1 C15 1.823(12) . ?
P2 C31 1.817(12) . ?
P2 C35 1.825(12) . ?
P2 C33 1.884(13) . ?
P3 C41 1.804(10) . ?
P3 C45 1.828(11) . ?
P3 C43 1.833(9) . ?
P4 C51 1.805(10) . ?
P4 C55 1.813(10) . ?
P4 C53 1.823(10) . ?
O1 N4 1.215(14) . ?
O2 N4 1.277(16) . ?
O3 N8 1.211(12) . ?
O4 N8 1.231(12) . ?
N1 C1 1.356(11) . ?
N1 N2 1.376(10) . ?
N2 N3 1.306(10) . ?
N3 C2 1.368(11) . ?
N4 C6 1.443(15) . ?
N5 C21 1.359(11) . ?
N5 N6 1.369(10) . ?
N6 N7 1.338(10) . ?
N7 C22 1.379(12) . ?
N8 C26 1.479(12) . ?
C1 C2 1.395(12) . ?
C2 C3 1.462(12) . ?
C3 C4 1.381(12) . ?
C3 C8 1.407(13) . ?
C4 C5 1.393(14) . ?
C4 H4A 0.9500 . ?
C5 C6 1.400(15) . ?
C5 H5A 0.9500 . ?
C6 C7 1.360(15) . ?
C7 C8 1.388(13) . ?
C7 H7B 0.9500 . ?
C8 H8A 0.9500 . ?
C11 C12 1.38(3) . ?
C11 H11A 0.9900 . ?
C11 H11D 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.49(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.516(18) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C21 C22 1.414(12) . ?
C22 C23 1.461(13) . ?
C23 C24 1.388(14) . ?
C23 C28 1.402(13) . ?
C24 C25 1.394(13) . ?
C24 H24A 0.9500 . ?
C25 C26 1.389(13) . ?
C25 H25A 0.9500 . ?
C26 C27 1.354(14) . ?
C27 C28 1.375(13) . ?
C27 H27A 0.9500 . ?
C28 H28A 0.9500 . ?
C31 C32 1.508(15) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.517(16) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.486(19) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C41 C42 1.538(16) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.552(13) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.536(17) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C51 C52 1.550(15) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.527(16) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.514(12) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
Pt1' N1' 2.054(7) . ?
Pt1' N5' 2.073(8) . ?
Pt1' P4' 2.274(2) . ?
Pt1' P3' 2.277(2) . ?
Au1' C1' 2.043(9) . ?
Au1' P1' 2.280(3) . ?
Au2' C21' 2.067(11) . ?
Au2' P2' 2.237(4) . ?
P1' C15' 1.808(12) . ?
P1' C11' 1.859(11) . ?
P1' C13' 1.873(14) . ?
P2' C35' 1.63(2) . ?
P2' C32A 1.68(4) . ?
P2' C33' 1.89(2) . ?
P2' C31' 1.91(2) . ?
P2' C36A 1.95(3) . ?
P2' C34A 1.96(3) . ?
P3' C45' 1.816(9) . ?
P3' C43' 1.819(9) . ?
P3' C41' 1.843(11) . ?
P4' C53' 1.800(12) . ?
P4' C51' 1.818(10) . ?
P4' C55' 1.833(13) . ?
O1' N4' 1.277(17) . ?
N4' O2' 1.200(15) . ?
N4' C6' 1.479(19) . ?
O3' N8' 1.318(18) . ?
N8' O4' 1.234(17) . ?
N8' C26' 1.450(19) . ?
N1' N2' 1.364(11) . ?
N1' C1' 1.376(12) . ?
N2' N3' 1.320(10) . ?
N3' C2' 1.374(12) . ?
N5' C21' 1.320(13) . ?
N5' N6' 1.355(12) . ?
N6' N7' 1.316(12) . ?
N7' C22' 1.394(16) . ?
C1' C2' 1.399(13) . ?
C2' C3' 1.453(14) . ?
C3' C8' 1.350(14) . ?
C3' C4' 1.356(17) . ?
C4' C5' 1.395(19) . ?
C4' H4'A 0.9500 . ?
C5' C6' 1.324(19) . ?
C5' H5'A 0.9500 . ?
C6' C7' 1.342(17) . ?
C7' C8' 1.370(16) . ?
C7' H7'B 0.9500 . ?
C8' H8'A 0.9500 . ?
C11' C12' 1.545(17) . ?
C11' H11B 0.9900 . ?
C11' H11C 0.9900 . ?
C12' H12D 0.9800 . ?
C12' H12E 0.9800 . ?
C12' H12F 0.9800 . ?
C13' C14' 1.57(2) . ?
C13' H13C 0.9900 . ?
C13' H13D 0.9900 . ?
C14' H14D 0.9800 . ?
C14' H14E 0.9800 . ?
C14' H14F 0.9800 . ?
C15' C16' 1.514(16) . ?
C15' H15C 0.9900 . ?
C15' H15D 0.9900 . ?
C16' H16D 0.9800 . ?
C16' H16E 0.9800 . ?
C16' H16F 0.9800 . ?
C21' C22' 1.360(14) . ?
C22' C23' 1.432(15) . ?
C23' C28' 1.34(2) . ?
C23' C24' 1.476(19) . ?
C24' C25' 1.403(18) . ?
C24' H24B 0.9500 . ?
C25' C26' 1.50(3) . ?
C25' H25B 0.9500 . ?
C26' C27' 1.33(3) . ?
C27' C28' 1.426(19) . ?
C27' H27B 0.9500 . ?
C28' H28B 0.9500 . ?
C32' C31' 1.51(3) . ?
C32' C32A 1.76(4) . ?
C32' H32D 0.9800 . ?
C32' H32E 0.9800 . ?
C32' H32F 0.9800 . ?
C32' H32G 0.9799 . ?
C32' H32H 0.9802 . ?
C32' H32K 0.9798 . ?
C34' C33' 1.59(3) . ?
C34' C34A 1.85(4) . ?
C34' H34D 0.9800 . ?
C34' H34E 0.9800 . ?
C34' H34F 0.9800 . ?
C34' H34G 0.9799 . ?
C34' H34H 0.9800 . ?
C34' H34K 0.9800 . ?
C36' C36A 1.43(3) . ?
C36' C35' 1.64(3) . ?
C36' H36D 0.9800 . ?
C36' H36E 0.9800 . ?
C36' H36F 0.9800 . ?
C36' H36G 0.9801 . ?
C36' H36H 0.9799 . ?
C36' H36K 0.9802 . ?
C31' H32K 1.3630 . ?
C31' H31C 0.9900 . ?
C31' H31D 0.9900 . ?
C33' H34K 1.0702 . ?
C33' H33C 0.9900 . ?
C33' H33D 0.9900 . ?
C35' H36K 1.2700 . ?
C35' H35C 0.9900 . ?
C35' H35D 0.9900 . ?
C32A H32L 0.9900 . ?
C32A H32M 0.9900 . ?
C34A H34L 0.9900 . ?
C34A H34M 0.9900 . ?
C36A H36L 0.9900 . ?
C36A H36M 0.9900 . ?
C41' C42' 1.545(16) . ?
C41' H41C 0.9900 . ?
C41' H41D 0.9900 . ?
C42' H42D 0.9800 . ?
C42' H42E 0.9800 . ?
C42' H42F 0.9800 . ?
C43' C44' 1.542(16) . ?
C43' H43C 0.9900 . ?
C43' H43D 0.9900 . ?
C44' H44D 0.9800 . ?
C44' H44E 0.9800 . ?
C44' H44F 0.9800 . ?
C45' C46' 1.531(12) . ?
C45' H45C 0.9900 . ?
C45' H45D 0.9900 . ?
C46' H46D 0.9800 . ?
C46' H46E 0.9800 . ?
C46' H46F 0.9800 . ?
C51' C52' 1.534(13) . ?
C51' H51C 0.9900 . ?
C51' H51D 0.9900 . ?
C52' H52D 0.9800 . ?
C52' H52E 0.9800 . ?
C52' H52F 0.9800 . ?
C53' C54' 1.51(2) . ?
C53' H53C 0.9900 . ?
C53' H53D 0.9900 . ?
C54' H54D 0.9800 . ?
C54' H54E 0.9800 . ?
C54' H54F 0.9800 . ?
C55' C56' 1.519(19) . ?
C55' H55C 0.9900 . ?
C55' H55D 0.9900 . ?
C56' H56D 0.9800 . ?
C56' H56E 0.9800 . ?
C56' H56F 0.9800 . ?

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
N5 Pt1 N1 87.1(3) . . ?
N5 Pt1 P4 171.3(2) . . ?
N1 Pt1 P4 85.3(2) . . ?
N5 Pt1 P3 85.9(2) . . ?
N1 Pt1 P3 171.4(2) . . ?
P4 Pt1 P3 102.05(8) . . ?
C1 Au1 P1 175.9(3) . . ?
C21 Au2 P2 175.4(3) . . ?
C11 P1 C13 104.3(13) . . ?
C11 P1 C15 102.6(10) . . ?
C13 P1 C15 104.9(7) . . ?
C11 P1 Au1 115.6(7) . . ?
C13 P1 Au1 114.0(5) . . ?
C15 P1 Au1 114.1(4) . . ?
C31 P2 C35 105.9(5) . . ?
C31 P2 C33 107.5(6) . . ?
C35 P2 C33 105.7(6) . . ?
C31 P2 Au2 112.2(4) . . ?
C35 P2 Au2 113.7(4) . . ?
C33 P2 Au2 111.4(4) . . ?
C41 P3 C45 104.1(5) . . ?
C41 P3 C43 103.0(5) . . ?
C45 P3 C43 104.5(5) . . ?
C41 P3 Pt1 109.3(3) . . ?
C45 P3 Pt1 114.5(4) . . ?
C43 P3 Pt1 119.8(3) . . ?
C51 P4 C55 103.7(4) . . ?
C51 P4 C53 104.0(5) . . ?
C55 P4 C53 102.9(5) . . ?
C51 P4 Pt1 115.1(3) . . ?
C55 P4 Pt1 120.5(3) . . ?
C53 P4 Pt1 108.9(3) . . ?
C1 N1 N2 110.1(7) . . ?
C1 N1 Pt1 129.1(6) . . ?
N2 N1 Pt1 120.8(5) . . ?
N3 N2 N1 108.3(7) . . ?
N2 N3 C2 108.3(7) . . ?
O1 N4 O2 123.2(12) . . ?
O1 N4 C6 120.1(13) . . ?
O2 N4 C6 116.6(11) . . ?
C21 N5 N6 110.9(7) . . ?
C21 N5 Pt1 127.3(6) . . ?
N6 N5 Pt1 121.7(6) . . ?
N7 N6 N5 108.3(7) . . ?
N6 N7 C22 107.7(7) . . ?
O3 N8 O4 123.8(10) . . ?
O3 N8 C26 119.3(9) . . ?
O4 N8 C26 116.7(9) . . ?
N1 C1 C2 104.0(7) . . ?
N1 C1 Au1 121.4(6) . . ?
C2 C1 Au1 134.5(7) . . ?
N3 C2 C1 109.2(8) . . ?
N3 C2 C3 120.7(8) . . ?
C1 C2 C3 129.9(8) . . ?
C4 C3 C8 118.0(9) . . ?
C4 C3 C2 120.1(8) . . ?
C8 C3 C2 121.9(8) . . ?
C3 C4 C5 121.6(10) . . ?
C3 C4 H4A 119.2 . . ?
C5 C4 H4A 119.2 . . ?
C4 C5 C6 119.3(9) . . ?
C4 C5 H5A 120.4 . . ?
C6 C5 H5A 120.4 . . ?
C7 C6 C5 119.6(9) . . ?
C7 C6 N4 121.3(10) . . ?
C5 C6 N4 119.0(10) . . ?
C6 C7 C8 121.3(10) . . ?
C6 C7 H7B 119.4 . . ?
C8 C7 H7B 119.4 . . ?
C7 C8 C3 120.1(9) . . ?
C7 C8 H8A 119.9 . . ?
C3 C8 H8A 119.9 . . ?
C12 C11 P1 124.7(16) . . ?
C12 C11 H11A 106.1 . . ?
P1 C11 H11A 106.1 . . ?
C12 C11 H11D 106.1 . . ?
P1 C11 H11D 106.1 . . ?
H11A C11 H11D 106.3 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 P1 110.5(13) . . ?
C14 C13 H13A 109.6 . . ?
P1 C13 H13A 109.6 . . ?
C14 C13 H13B 109.6 . . ?
P1 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
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 . . ?
C16 C15 P1 114.0(11) . . ?
C16 C15 H15A 108.8 . . ?
P1 C15 H15A 108.8 . . ?
C16 C15 H15B 108.8 . . ?
P1 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N5 C21 C22 104.1(8) . . ?
N5 C21 Au2 122.3(6) . . ?
C22 C21 Au2 133.5(7) . . ?
N7 C22 C21 109.0(8) . . ?
N7 C22 C23 120.2(8) . . ?
C21 C22 C23 130.8(9) . . ?
C24 C23 C28 118.0(9) . . ?
C24 C23 C22 120.6(9) . . ?
C28 C23 C22 121.4(9) . . ?
C23 C24 C25 121.7(9) . . ?
C23 C24 H24A 119.2 . . ?
C25 C24 H24A 119.2 . . ?
C26 C25 C24 117.4(9) . . ?
C26 C25 H25A 121.3 . . ?
C24 C25 H25A 121.3 . . ?
C27 C26 C25 122.5(9) . . ?
C27 C26 N8 120.0(9) . . ?
C25 C26 N8 117.5(9) . . ?
C26 C27 C28 119.6(9) . . ?
C26 C27 H27A 120.2 . . ?
C28 C27 H27A 120.2 . . ?
C27 C28 C23 120.8(10) . . ?
C27 C28 H28A 119.6 . . ?
C23 C28 H28A 119.6 . . ?
C32 C31 P2 112.5(8) . . ?
C32 C31 H31A 109.1 . . ?
P2 C31 H31A 109.1 . . ?
C32 C31 H31B 109.1 . . ?
P2 C31 H31B 109.1 . . ?
H31A C31 H31B 107.8 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 P2 113.6(10) . . ?
C34 C33 H33A 108.9 . . ?
P2 C33 H33A 108.9 . . ?
C34 C33 H33B 108.9 . . ?
P2 C33 H33B 108.9 . . ?
H33A C33 H33B 107.7 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 P2 111.7(9) . . ?
C36 C35 H35A 109.3 . . ?
P2 C35 H35A 109.3 . . ?
C36 C35 H35B 109.3 . . ?
P2 C35 H35B 109.3 . . ?
H35A C35 H35B 107.9 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C42 C41 P3 112.6(7) . . ?
C42 C41 H41A 109.1 . . ?
P3 C41 H41A 109.1 . . ?
C42 C41 H41B 109.1 . . ?
P3 C41 H41B 109.1 . . ?
H41A C41 H41B 107.8 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 P3 114.8(7) . . ?
C44 C43 H43A 108.6 . . ?
P3 C43 H43A 108.6 . . ?
C44 C43 H43B 108.6 . . ?
P3 C43 H43B 108.6 . . ?
H43A C43 H43B 107.6 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 P3 113.9(8) . . ?
C46 C45 H45A 108.8 . . ?
P3 C45 H45A 108.8 . . ?
C46 C45 H45B 108.8 . . ?
P3 C45 H45B 108.8 . . ?
H45A C45 H45B 107.7 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C52 C51 P4 113.8(7) . . ?
C52 C51 H51A 108.8 . . ?
P4 C51 H51A 108.8 . . ?
C52 C51 H51B 108.8 . . ?
P4 C51 H51B 108.8 . . ?
H51A C51 H51B 107.7 . . ?
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 . . ?
C54 C53 P4 112.9(7) . . ?
C54 C53 H53A 109.0 . . ?
P4 C53 H53A 109.0 . . ?
C54 C53 H53B 109.0 . . ?
P4 C53 H53B 109.0 . . ?
H53A C53 H53B 107.8 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 P4 116.0(7) . . ?
C56 C55 H55A 108.3 . . ?
P4 C55 H55A 108.3 . . ?
C56 C55 H55B 108.3 . . ?
P4 C55 H55B 108.3 . . ?
H55A C55 H55B 107.4 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
N1' Pt1' N5' 87.1(3) . . ?
N1' Pt1' P4' 172.1(2) . . ?
N5' Pt1' P4' 85.8(2) . . ?
N1' Pt1' P3' 85.5(2) . . ?
N5' Pt1' P3' 171.7(2) . . ?
P4' Pt1' P3' 101.74(8) . . ?
C1' Au1' P1' 175.4(3) . . ?
C21' Au2' P2' 177.0(3) . . ?
C15' P1' C11' 104.3(6) . . ?
C15' P1' C13' 104.5(6) . . ?
C11' P1' C13' 106.9(6) . . ?
C15' P1' Au1' 111.7(4) . . ?
C11' P1' Au1' 113.8(4) . . ?
C13' P1' Au1' 114.6(4) . . ?
C35' P2' C32A 118.7(16) . . ?
C35' P2' C33' 106.9(11) . . ?
C32A P2' C33' 60.4(15) . . ?
C35' P2' C31' 109.5(11) . . ?
C32A P2' C31' 43.1(15) . . ?
C33' P2' C31' 103.5(10) . . ?
C35' P2' C36A 56.2(12) . . ?
C32A P2' C36A 90.2(17) . . ?
C33' P2' C36A 135.4(12) . . ?
C31' P2' C36A 57.3(11) . . ?
C35' P2' C34A 42.3(12) . . ?
C32A P2' C34A 108.2(17) . . ?
C33' P2' C34A 67.2(13) . . ?
C31' P2' C34A 132.3(12) . . ?
C36A P2' C34A 95.4(14) . . ?
C35' P2' Au2' 115.1(9) . . ?
C32A P2' Au2' 125.7(14) . . ?
C33' P2' Au2' 109.8(7) . . ?
C31' P2' Au2' 111.3(7) . . ?
C36A P2' Au2' 114.6(10) . . ?
C34A P2' Au2' 115.9(11) . . ?
C45' P3' C43' 104.2(4) . . ?
C45' P3' C41' 102.8(4) . . ?
C43' P3' C41' 103.0(5) . . ?
C45' P3' Pt1' 119.3(3) . . ?
C43' P3' Pt1' 115.0(3) . . ?
C41' P3' Pt1' 110.6(3) . . ?
C53' P4' C51' 104.4(6) . . ?
C53' P4' C55' 104.3(7) . . ?
C51' P4' C55' 104.0(5) . . ?
C53' P4' Pt1' 110.2(4) . . ?
C51' P4' Pt1' 120.3(3) . . ?
C55' P4' Pt1' 112.2(4) . . ?
O2' N4' O1' 122.2(14) . . ?
O2' N4' C6' 118.4(17) . . ?
O1' N4' C6' 117.3(14) . . ?
O4' N8' O3' 126.3(15) . . ?
O4' N8' C26' 113.3(17) . . ?
O3' N8' C26' 120.3(17) . . ?
N2' N1' C1' 110.4(7) . . ?
N2' N1' Pt1' 122.1(6) . . ?
C1' N1' Pt1' 127.4(6) . . ?
N3' N2' N1' 107.7(7) . . ?
N2' N3' C2' 109.4(8) . . ?
C21' N5' N6' 109.5(8) . . ?
C21' N5' Pt1' 128.9(7) . . ?
N6' N5' Pt1' 121.6(6) . . ?
N7' N6' N5' 109.2(9) . . ?
N6' N7' C22' 106.2(9) . . ?
N1' C1' C2' 104.3(8) . . ?
N1' C1' Au1' 119.1(6) . . ?
C2' C1' Au1' 136.4(7) . . ?
N3' C2' C1' 108.2(8) . . ?
N3' C2' C3' 121.1(9) . . ?
C1' C2' C3' 130.7(9) . . ?
C8' C3' C4' 117.0(11) . . ?
C8' C3' C2' 120.4(10) . . ?
C4' C3' C2' 122.5(10) . . ?
C3' C4' C5' 121.2(13) . . ?
C3' C4' H4'A 119.4 . . ?
C5' C4' H4'A 119.4 . . ?
C6' C5' C4' 119.9(15) . . ?
C6' C5' H5'A 120.1 . . ?
C4' C5' H5'A 120.1 . . ?
C5' C6' C7' 119.4(13) . . ?
C5' C6' N4' 119.8(14) . . ?
C7' C6' N4' 120.7(13) . . ?
C6' C7' C8' 120.8(11) . . ?
C6' C7' H7'B 119.6 . . ?
C8' C7' H7'B 119.6 . . ?
C3' C8' C7' 121.3(11) . . ?
C3' C8' H8'A 119.3 . . ?
C7' C8' H8'A 119.3 . . ?
C12' C11' P1' 114.4(9) . . ?
C12' C11' H11B 108.6 . . ?
P1' C11' H11B 108.6 . . ?
C12' C11' H11C 108.6 . . ?
P1' C11' H11C 108.6 . . ?
H11B C11' H11C 107.6 . . ?
C11' C12' H12D 109.5 . . ?
C11' C12' H12E 109.5 . . ?
H12D C12' H12E 109.5 . . ?
C11' C12' H12F 109.5 . . ?
H12D C12' H12F 109.5 . . ?
H12E C12' H12F 109.5 . . ?
C14' C13' P1' 111.5(9) . . ?
C14' C13' H13C 109.3 . . ?
P1' C13' H13C 109.3 . . ?
C14' C13' H13D 109.3 . . ?
P1' C13' H13D 109.3 . . ?
H13C C13' H13D 108.0 . . ?
C13' C14' H14D 109.5 . . ?
C13' C14' H14E 109.5 . . ?
H14D C14' H14E 109.5 . . ?
C13' C14' H14F 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C16' C15' P1' 113.6(10) . . ?
C16' C15' H15C 108.9 . . ?
P1' C15' H15C 108.9 . . ?
C16' C15' H15D 108.9 . . ?
P1' C15' H15D 108.9 . . ?
H15C C15' H15D 107.7 . . ?
C15' C16' H16D 109.5 . . ?
C15' C16' H16E 109.5 . . ?
H16D C16' H16E 109.5 . . ?
C15' C16' H16F 109.5 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
N5' C21' C22' 106.9(10) . . ?
N5' C21' Au2' 120.9(7) . . ?
C22' C21' Au2' 132.1(9) . . ?
C21' C22' N7' 108.1(10) . . ?
C21' C22' C23' 132.2(13) . . ?
N7' C22' C23' 119.7(11) . . ?
C28' C23' C22' 122.0(13) . . ?
C28' C23' C24' 119.6(12) . . ?
C22' C23' C24' 118.3(14) . . ?
C25' C24' C23' 118.8(15) . . ?
C25' C24' H24B 120.6 . . ?
C23' C24' H24B 120.6 . . ?
C24' C25' C26' 116.5(15) . . ?
C24' C25' H25B 121.8 . . ?
C26' C25' H25B 121.8 . . ?
C27' C26' N8' 122.0(19) . . ?
C27' C26' C25' 123.8(14) . . ?
N8' C26' C25' 114.2(17) . . ?
C26' C27' C28' 117.1(19) . . ?
C26' C27' H27B 121.5 . . ?
C28' C27' H27B 121.5 . . ?
C23' C28' C27' 124.1(16) . . ?
C23' C28' H28B 118.0 . . ?
C27' C28' H28B 118.0 . . ?
C31' C32' C32A 47.5(15) . . ?
C31' C32' H32D 109.5 . . ?
C32A C32' H32D 132.7 . . ?
C31' C32' H32E 109.5 . . ?
C32A C32' H32E 62.8 . . ?
H32D C32' H32E 109.5 . . ?
C31' C32' H32F 109.5 . . ?
C32A C32' H32F 117.0 . . ?
H32D C32' H32F 109.5 . . ?
H32E C32' H32F 109.5 . . ?
C31' C32' H32G 126.4 . . ?
C32A C32' H32G 109.4 . . ?
H32D C32' H32G 44.6 . . ?
H32E C32' H32G 64.9 . . ?
H32F C32' H32G 122.8 . . ?
C31' C32' H32H 123.5 . . ?
C32A C32' H32H 109.5 . . ?
H32D C32' H32H 116.4 . . ?
H32E C32' H32H 85.0 . . ?
H32F C32' H32H 24.8 . . ?
H32G C32' H32H 109.5 . . ?
C31' C32' H32K 62.1 . . ?
C32A C32' H32K 109.5 . . ?
H32D C32' H32K 65.7 . . ?
H32E C32' H32K 165.5 . . ?
H32F C32' H32K 84.9 . . ?
H32G C32' H32K 109.5 . . ?
H32H C32' H32K 109.5 . . ?
C33' C34' C34A 76.0(15) . . ?
C33' C34' H34D 109.5 . . ?
C34A C34' H34D 143.4 . . ?
C33' C34' H34E 109.5 . . ?
C34A C34' H34E 39.9 . . ?
H34D C34' H34E 109.5 . . ?
C33' C34' H34F 109.5 . . ?
C34A C34' H34F 101.9 . . ?
H34D C34' H34F 109.5 . . ?
H34E C34' H34F 109.5 . . ?
C33' C34' H34G 145.8 . . ?
C34A C34' H34G 109.5 . . ?
H34D C34' H34G 46.0 . . ?
H34E C34' H34G 69.6 . . ?
H34F C34' H34G 102.5 . . ?
C33' C34' H34H 99.5 . . ?
C34A C34' H34H 109.4 . . ?
H34D C34' H34H 105.3 . . ?
H34E C34' H34H 122.8 . . ?
H34F C34' H34H 13.8 . . ?
H34G C34' H34H 109.5 . . ?
C33' C34' H34K 41.3 . . ?
C34A C34' H34K 109.5 . . ?
H34D C34' H34K 68.2 . . ?
H34E C34' H34K 125.0 . . ?
H34F C34' H34K 123.3 . . ?
H34G C34' H34K 109.5 . . ?
H34H C34' H34K 109.5 . . ?
C36A C36' C35' 67.3(16) . . ?
C36A C36' H36D 142.4 . . ?
C35' C36' H36D 109.5 . . ?
C36A C36' H36E 46.4 . . ?
C35' C36' H36E 109.5 . . ?
H36D C36' H36E 109.5 . . ?
C36A C36' H36F 106.4 . . ?
C35' C36' H36F 109.5 . . ?
H36D C36' H36F 109.5 . . ?
H36E C36' H36F 109.5 . . ?
C36A C36' H36G 109.5 . . ?
C35' C36' H36G 150.6 . . ?
H36D C36' H36G 54.1 . . ?
H36E C36' H36G 63.2 . . ?
H36F C36' H36G 99.6 . . ?
C36A C36' H36H 109.4 . . ?
C35' C36' H36H 98.6 . . ?
H36D C36' H36H 108.0 . . ?
H36E C36' H36H 121.0 . . ?
H36F C36' H36H 12.9 . . ?
H36G C36' H36H 109.5 . . ?
C36A C36' H36K 109.5 . . ?
C35' C36' H36K 50.6 . . ?
H36D C36' H36K 59.0 . . ?
H36E C36' H36K 128.7 . . ?
H36F C36' H36K 121.6 . . ?
H36G C36' H36K 109.5 . . ?
H36H C36' H36K 109.5 . . ?
C32' C31' P2' 110.4(14) . . ?
C32' C31' H32K 39.4 . . ?
P2' C31' H32K 132.5 . . ?
C32' C31' H31C 109.6 . . ?
P2' C31' H31C 109.6 . . ?
H32K C31' H31C 115.3 . . ?
C32' C31' H31D 109.6 . . ?
P2' C31' H31D 109.6 . . ?
H32K C31' H31D 70.9 . . ?
H31C C31' H31D 108.1 . . ?
C34' C33' P2' 102.9(15) . . ?
C34' C33' H34K 37.2 . . ?
P2' C33' H34K 140.0 . . ?
C34' C33' H33C 111.2 . . ?
P2' C33' H33C 111.2 . . ?
H34K C33' H33C 91.5 . . ?
C34' C33' H33D 111.2 . . ?
P2' C33' H33D 111.2 . . ?
H34K C33' H33D 90.1 . . ?
H33C C33' H33D 109.1 . . ?
P2' C35' C36' 111.6(14) . . ?
P2' C35' H36K 148.0 . . ?
C36' C35' H36K 36.6 . . ?
P2' C35' H35C 109.3 . . ?
C36' C35' H35C 109.3 . . ?
H36K C35' H35C 86.5 . . ?
P2' C35' H35D 109.3 . . ?
C36' C35' H35D 109.3 . . ?
H36K C35' H35D 90.8 . . ?
H35C C35' H35D 108.0 . . ?
P2' C32A C32' 110(2) . . ?
P2' C32A H32L 109.7 . . ?
C32' C32A H32L 109.7 . . ?
P2' C32A H32M 109.7 . . ?
C32' C32A H32M 109.7 . . ?
H32L C32A H32M 108.2 . . ?
C34' C34A P2' 91.2(16) . . ?
C34' C34A H34L 113.4 . . ?
P2' C34A H34L 113.4 . . ?
C34' C34A H34M 113.4 . . ?
P2' C34A H34M 113.4 . . ?
H34L C34A H34M 110.7 . . ?
C36' C36A P2' 104.8(19) . . ?
C36' C36A H36L 110.8 . . ?
P2' C36A H36L 110.8 . . ?
C36' C36A H36M 110.8 . . ?
P2' C36A H36M 110.8 . . ?
H36L C36A H36M 108.9 . . ?
C42' C41' P3' 112.6(8) . . ?
C42' C41' H41C 109.1 . . ?
P3' C41' H41C 109.1 . . ?
C42' C41' H41D 109.1 . . ?
P3' C41' H41D 109.1 . . ?
H41C C41' H41D 107.8 . . ?
C41' C42' H42D 109.5 . . ?
C41' C42' H42E 109.5 . . ?
H42D C42' H42E 109.5 . . ?
C41' C42' H42F 109.5 . . ?
H42D C42' H42F 109.5 . . ?
H42E C42' H42F 109.5 . . ?
C44' C43' P3' 113.7(7) . . ?
C44' C43' H43C 108.8 . . ?
P3' C43' H43C 108.8 . . ?
C44' C43' H43D 108.8 . . ?
P3' C43' H43D 108.8 . . ?
H43C C43' H43D 107.7 . . ?
C43' C44' H44D 109.5 . . ?
C43' C44' H44E 109.5 . . ?
H44D C44' H44E 109.5 . . ?
C43' C44' H44F 109.5 . . ?
H44D C44' H44F 109.5 . . ?
H44E C44' H44F 109.5 . . ?
C46' C45' P3' 114.9(6) . . ?
C46' C45' H45C 108.5 . . ?
P3' C45' H45C 108.5 . . ?
C46' C45' H45D 108.5 . . ?
P3' C45' H45D 108.5 . . ?
H45C C45' H45D 107.5 . . ?
C45' C46' H46D 109.5 . . ?
C45' C46' H46E 109.5 . . ?
H46D C46' H46E 109.5 . . ?
C45' C46' H46F 109.5 . . ?
H46D C46' H46F 109.5 . . ?
H46E C46' H46F 109.5 . . ?
C52' C51' P4' 115.8(7) . . ?
C52' C51' H51C 108.3 . . ?
P4' C51' H51C 108.3 . . ?
C52' C51' H51D 108.3 . . ?
P4' C51' H51D 108.3 . . ?
H51C C51' H51D 107.4 . . ?
C51' C52' H52D 109.5 . . ?
C51' C52' H52E 109.5 . . ?
H52D C52' H52E 109.5 . . ?
C51' C52' H52F 109.5 . . ?
H52D C52' H52F 109.5 . . ?
H52E C52' H52F 109.5 . . ?
C54' C53' P4' 112.2(10) . . ?
C54' C53' H53C 109.2 . . ?
P4' C53' H53C 109.2 . . ?
C54' C53' H53D 109.2 . . ?
P4' C53' H53D 109.2 . . ?
H53C C53' H53D 107.9 . . ?
C53' C54' H54D 109.5 . . ?
C53' C54' H54E 109.5 . . ?
H54D C54' H54E 109.5 . . ?
C53' C54' H54F 109.5 . . ?
H54D C54' H54F 109.5 . . ?
H54E C54' H54F 109.5 . . ?
C56' C55' P4' 116.8(8) . . ?
C56' C55' H55C 108.1 . . ?
P4' C55' H55C 108.1 . . ?
C56' C55' H55D 108.1 . . ?
P4' C55' H55D 108.1 . . ?
H55C C55' H55D 107.3 . . ?
C55' C56' H56D 109.5 . . ?
C55' C56' H56E 109.5 . . ?
H56D C56' H56E 109.5 . . ?
C55' C56' H56F 109.5 . . ?
H56D C56' H56F 109.5 . . ?
H56E C56' H56F 109.5 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         12.846
_refine_diff_density_min         -6.455
_refine_diff_density_rms         0.296

# SQUEEZE RESULTS (APPEND TO CIF)
# 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 0.000 0.500 0.500 769 309 ' '
2 0.500 0.000 0.000 957 388 ' '
_platon_squeeze_details          
;
;

_database_code_depnum_ccdc_archive 'CCDC 931004'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_xy04

_vrf_PLAT043_I                   
;
PROBLEM: Check Reported Molecular Weight ................ 3250.49
RESPONSE: There is very significant molecular and solvent molecules disorder
in this structure where all of the latter are not onoy disordered but also 
exist in the asymmetric unit only partially.  Attempts to remove the 
intensity contribution using program SQUEEZE failed due to the association 
of partial solvent molecules with disordered in the complexes. Also, 
Checkcif assumes Z=3 while we use Z=18.  The only difference is that
there are partial solvent molecules that could not be fully characterized
and some partial atoms were included in the final refinement.
;

_vrf_PLAT044_I                   
;
PROBLEM: Calculated and Reported Dx Differ .............. ?
RESPONSE: Please see the previous response PLAT043. The difference in 
molecular wight is a result of small fragments not included in the checmial 
formula.
;


_vrf_PLAT201_I                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 20
RESPONSE: All disordered atoms were refined isotropically.
;

_vrf_PLAT234_I                   
;
PROBLEM: Large Hirshfeld Difference C54A -- C55A .. 0.32 Ang.
RESPONSE: This is a result of the considerable disorder in the complexes 
as well as all of the solvent molecules.
;

_vrf_CHEMW03_I                   
;
PROBLEM: ALERT: The ratio of given/expected molecular weight as
RESPONSE: Program SQUEEZE was used and solvent were removed from the 
asymmetric unit.
;
_vrf_PLAT411_I                   
;
PROBLEM: Short Inter H...H Contact H53A .. H96A .. 1.69 Ang.
RESPONSE:those protons belong to two disordered parts.
;

_audit_update_record             
;
2013-03-06 # Formatted by publCIF
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(C53 H60 N8 O4 P4 Au2 Pt1), 3.33(C1 H1 Cl3), 0.4(C5 H12)'
_chemical_formula_sum            'C111.33 H114.80 Au4 Cl0.56 N16 O8 P8 Pt2'
_chemical_formula_weight         3250.49

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_H-M   R-3

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   42.079(3)
_cell_length_b                   42.079(3)
_cell_length_c                   39.683(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     60851(8)
_cell_formula_units_Z            18
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9844
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      22.93

_exptl_crystal_description       squares
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             28084
_exptl_absorpt_coefficient_mu    6.543
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4589
_exptl_absorpt_correction_T_max  0.5844
_exptl_absorpt_process_details   'multiscan (SADABS, Blessing 1995)'

_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'Bruker Triumph'
_diffrn_measurement_device_type  'Bruker APEX-II DUO'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23814
_diffrn_reflns_av_R_equivalents  0.1842
_diffrn_reflns_av_sigmaI/netI    0.0730
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         25.00
_reflns_number_total             23814
_reflns_number_gt                13830
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'Bruker APEX2 (Bruker, 2008)'
_computing_cell_refinement       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT (Bruker, 2008)'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 2008)'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Olex2 v1.2.2'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 All H atoms were positioned geometrically ( C---H = 0.93/1.00 \%A) and allowed
 to ride with <i>U</i>~iso~(H)= 1.2/1.5<i>U</i>~eq~(C).
 Methyl ones were allowed to rotate around the corresponding C---C. 

In complex A, The N4a nitro groups is disordered and refined in two parts.  The
 P1a ethyl groups are disordered while O2a and its ethyl groups are disordered
 and each was refine din two parts.  While in molecule B, only the N1b nitro
 groups is disordered. The solvent are is comprised of partial disordered
 chloroform molecules as well as disordered pentane molecules.  In all, the
 asymmetric unit consists of two Au2Pt1 complexes, and three and a third
 chloroform molecules disordered over seven general and two symmetry positions. 
 Attempts to remove the solvent area contributions to the overall intensity of
 the data failed because of the disordered partial solvent molecule?s proximity
 to the complexes, thus good void calculations were not possible.  
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         23814
_refine_ls_number_parameters     1328
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.1422
_refine_ls_R_factor_gt           0.0689
_refine_ls_wR_factor_ref         0.2306
_refine_ls_wR_factor_gt          0.1871
_refine_ls_goodness_of_fit_ref   1.365
_refine_ls_restrained_S_all      1.361
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1A Pt 0.97215(2) 0.13038(2) 0.30260(2) 0.0562(2) Uani 1 1 d . . .
Au1A Au 0.878403(19) 0.10980(2) 0.286241(17) 0.0462(2) Uani 1 1 d . C .
Au2A Au 0.93479(2) 0.19512(2) 0.284548(18) 0.0497(2) Uani 1 1 d . C .
P3A P 0.88422(13) 0.19616(13) 0.30389(11) 0.0446(11) Uani 1 1 d . . .
P4A P 0.84068(14) 0.11675(14) 0.32390(12) 0.0487(12) Uani 1 1 d . . .
O1A O 1.0709(9) 0.3878(7) 0.1871(7) 0.073(8) Uiso 0.58(6) 1 d PD A 1
O2A O 1.0147(11) 0.3708(9) 0.1879(7) 0.073(8) Uiso 0.58(6) 1 d PD A 1
N4A N 1.0397(8) 0.3651(6) 0.1942(9) 0.073(8) Uiso 0.58(6) 1 d PD A 1
O1A' O 1.0520(17) 0.3829(11) 0.1788(12) 0.093(13) Uiso 0.42(6) 1 d PD A 2
O2A' O 0.9969(13) 0.3585(13) 0.1803(10) 0.077(15) Uiso 0.42(6) 1 d PD A 2
N4A' N 1.0237(13) 0.3560(13) 0.1873(13) 0.093(13) Uiso 0.42(6) 1 d PD A 2
O3A O 0.7938(4) 0.0438(4) 0.0939(4) 0.070(4) Uani 1 1 d . . .
O4A O 0.7649(4) 0.0592(4) 0.1291(3) 0.067(4) Uani 1 1 d . . .
N1A N 0.9955(4) 0.1776(4) 0.2757(4) 0.052(4) Uani 1 1 d . C .
N2A N 1.0296(5) 0.1895(5) 0.2619(4) 0.066(5) Uani 1 1 d . . .
N3A N 1.0396(4) 0.2203(5) 0.2448(4) 0.060(4) Uani 1 1 d . C .
N5A N 0.9432(4) 0.1072(4) 0.2595(3) 0.046(4) Uani 1 1 d . C .
N6A N 0.9584(4) 0.1011(4) 0.2322(4) 0.047(4) Uani 1 1 d . . .
N7A N 0.9351(4) 0.0904(4) 0.2066(4) 0.053(4) Uani 1 1 d . C .
N8A N 0.7915(5) 0.0562(4) 0.1213(4) 0.057(4) Uani 1 1 d . . .
C1A C 0.9836(5) 0.2016(5) 0.2683(4) 0.050(5) Uani 1 1 d . . .
C2A C 1.0120(5) 0.2294(5) 0.2490(5) 0.058(5) Uani 1 1 d . C .
C3A C 1.0177(5) 0.2634(5) 0.2340(4) 0.049(5) Uani 1 1 d . . .
C4A C 1.0511(6) 0.2885(7) 0.2195(5) 0.078(7) Uani 1 1 d . C .
H4AA H 1.0705 0.2832 0.2194 0.093 Uiso 1 1 calc R . .
C5A C 1.0570(8) 0.3209(7) 0.2052(7) 0.097(9) Uani 1 1 d . . .
H5AA H 1.0798 0.3381 0.1954 0.117 Uiso 1 1 calc R C .
C6A C 1.0269(9) 0.3268(6) 0.2059(5) 0.094(9) Uani 1 1 d D A .
C7A C 0.9925(7) 0.3023(6) 0.2182(5) 0.066(6) Uani 1 1 d . . .
H7AA H 0.9727 0.3068 0.2165 0.079 Uiso 1 1 calc R C .
C8A C 0.9885(6) 0.2720(6) 0.2324(5) 0.062(5) Uani 1 1 d . C .
H8AA H 0.9654 0.2552 0.2420 0.074 Uiso 1 1 calc R . .
C11A C 0.9095(4) 0.1013(4) 0.2513(4) 0.040(4) Uani 1 1 d . . .
C12A C 0.9043(5) 0.0908(5) 0.2167(5) 0.051(5) Uani 1 1 d . C .
C13A C 0.8751(5) 0.0813(4) 0.1928(5) 0.048(5) Uani 1 1 d . . .
C14A C 0.8780(5) 0.0716(4) 0.1605(4) 0.041(4) Uani 1 1 d . C .
H14A H 0.8993 0.0706 0.1544 0.049 Uiso 1 1 calc R . .
C15A C 0.8520(5) 0.0635(5) 0.1373(5) 0.048(5) Uani 1 1 d . . .
H15A H 0.8548 0.0566 0.1151 0.058 Uiso 1 1 calc R C .
C16A C 0.8204(5) 0.0653(5) 0.1462(5) 0.047(4) Uani 1 1 d . C .
C17A C 0.8162(6) 0.0748(5) 0.1781(5) 0.058(5) Uani 1 1 d . . .
H17A H 0.7948 0.0758 0.1840 0.070 Uiso 1 1 calc R C .
C18A C 0.8435(5) 0.0829(5) 0.2016(5) 0.053(5) Uani 1 1 d . C .
H18A H 0.8409 0.0897 0.2239 0.063 Uiso 1 1 calc R . .
C19A C 0.8600(5) 0.1630(4) 0.3396(4) 0.044(4) Uani 1 1 d . . .
H19A H 0.8777 0.1672 0.3579 0.052 Uiso 1 1 calc R . .
H19B H 0.8404 0.1669 0.3488 0.052 Uiso 1 1 calc R . .
P1A P 1.00418(16) 0.16319(17) 0.34815(15) 0.0751(17) Uiso 1 1 d D B .
C21A C 0.9792(13) 0.1695(18) 0.3826(7) 0.081(12) Uiso 0.39(6) 1 d PD B 1
H21A H 0.9657 0.1462 0.3953 0.097 Uiso 0.39(6) 1 calc PR B 1
H21B H 0.9970 0.1884 0.3982 0.097 Uiso 0.39(6) 1 calc PR B 1
C22A C 0.9507(14) 0.1818(18) 0.3699(15) 0.081(12) Uiso 0.39(6) 1 d PD B 1
H22A H 0.9389 0.1858 0.3894 0.121 Uiso 0.39(6) 1 calc PR B 1
H22B H 0.9320 0.1625 0.3556 0.121 Uiso 0.39(6) 1 calc PR B 1
H22C H 0.9639 0.2046 0.3569 0.121 Uiso 0.39(6) 1 calc PR B 1
C23A C 1.0414(12) 0.155(2) 0.3607(15) 0.081(12) Uiso 0.39(6) 1 d PD B 1
H23A H 1.0488 0.1643 0.3841 0.097 Uiso 0.39(6) 1 calc PR B 1
H23B H 1.0325 0.1288 0.3604 0.097 Uiso 0.39(6) 1 calc PR B 1
C24A C 1.0767(9) 0.176(2) 0.3367(14) 0.081(12) Uiso 0.39(6) 1 d PD B 1
H24A H 1.0965 0.1723 0.3454 0.121 Uiso 0.39(6) 1 calc PR B 1
H24B H 1.0850 0.2022 0.3360 0.121 Uiso 0.39(6) 1 calc PR B 1
H24C H 1.0702 0.1657 0.3139 0.121 Uiso 0.39(6) 1 calc PR B 1
C25A C 1.0242(16) 0.2128(5) 0.3459(12) 0.081(12) Uiso 0.39(6) 1 d PD B 1
H25A H 1.0411 0.2222 0.3264 0.097 Uiso 0.39(6) 1 calc PR B 1
H25B H 1.0043 0.2185 0.3420 0.097 Uiso 0.39(6) 1 calc PR B 1
C26A C 1.0462(17) 0.2335(9) 0.3794(14) 0.081(12) Uiso 0.39(6) 1 d PD B 1
H26A H 1.0539 0.2596 0.3779 0.121 Uiso 0.39(6) 1 calc PR B 1
H26B H 1.0679 0.2307 0.3818 0.121 Uiso 0.39(6) 1 calc PR B 1
H26C H 1.0302 0.2227 0.3991 0.121 Uiso 0.39(6) 1 calc PR B 1
C21C C 0.9737(9) 0.1542(14) 0.3840(6) 0.095(8) Uiso 0.61(6) 1 d PD B 2
H21C H 0.9609 0.1276 0.3892 0.113 Uiso 0.61(6) 1 calc PR B 2
H21D H 0.9886 0.1674 0.4039 0.113 Uiso 0.61(6) 1 calc PR B 2
C22C C 0.9438(9) 0.1665(14) 0.3774(11) 0.095(8) Uiso 0.61(6) 1 d PD B 2
H22D H 0.9285 0.1615 0.3975 0.142 Uiso 0.61(6) 1 calc PR B 2
H22E H 0.9283 0.1527 0.3583 0.142 Uiso 0.61(6) 1 calc PR B 2
H22F H 0.9563 0.1928 0.3724 0.142 Uiso 0.61(6) 1 calc PR B 2
C23C C 1.0359(12) 0.1503(17) 0.3663(8) 0.095(8) Uiso 0.61(6) 1 d PD B 2
H23C H 1.0499 0.1676 0.3847 0.113 Uiso 0.61(6) 1 calc PR B 2
H23D H 1.0217 0.1255 0.3763 0.113 Uiso 0.61(6) 1 calc PR B 2
C24C C 1.0642(10) 0.1502(16) 0.3392(10) 0.095(8) Uiso 0.61(6) 1 d PD B 2
H24D H 1.0809 0.1436 0.3503 0.142 Uiso 0.61(6) 1 calc PR B 2
H24E H 1.0784 0.1747 0.3292 0.142 Uiso 0.61(6) 1 calc PR B 2
H24F H 1.0506 0.1323 0.3214 0.142 Uiso 0.61(6) 1 calc PR B 2
C25C C 1.0326(11) 0.2112(5) 0.3362(8) 0.095(8) Uiso 0.61(6) 1 d PD B 2
H25C H 1.0511 0.2134 0.3197 0.113 Uiso 0.61(6) 1 calc PR B 2
H25D H 1.0169 0.2195 0.3251 0.113 Uiso 0.61(6) 1 calc PR B 2
C26C C 1.0531(11) 0.2376(6) 0.3677(11) 0.095(8) Uiso 0.61(6) 1 d PD B 2
H26D H 1.0673 0.2630 0.3599 0.142 Uiso 0.61(6) 1 calc PR B 2
H26E H 1.0696 0.2303 0.3781 0.142 Uiso 0.61(6) 1 calc PR B 2
H26F H 1.0349 0.2354 0.3843 0.142 Uiso 0.61(6) 1 calc PR B 2
P2A P 0.9505(2) 0.0771(3) 0.3277(2) 0.053(3) Uiso 0.637(16) 1 d PD C 1
C31A C 0.9393(8) 0.0712(10) 0.3722(5) 0.080(5) Uiso 0.637(16) 1 d PD C 1
H31A H 0.9339 0.0463 0.3788 0.095 Uiso 0.637(16) 1 calc PR C 1
H31B H 0.9614 0.0889 0.3849 0.095 Uiso 0.637(16) 1 calc PR C 1
C32A C 0.9087(8) 0.0757(10) 0.3835(7) 0.080(5) Uiso 0.637(16) 1 d PD C 1
H32A H 0.9059 0.0721 0.4080 0.119 Uiso 0.637(16) 1 calc PR C 1
H32B H 0.8861 0.0575 0.3723 0.119 Uiso 0.637(16) 1 calc PR C 1
H32C H 0.9137 0.1004 0.3779 0.119 Uiso 0.637(16) 1 calc PR C 1
C33A C 0.9830(8) 0.0611(10) 0.3220(7) 0.080(5) Uiso 0.637(16) 1 d PD C 1
H33A H 1.0055 0.0778 0.3347 0.095 Uiso 0.637(16) 1 calc PR C 1
H33B H 0.9724 0.0366 0.3326 0.095 Uiso 0.637(16) 1 calc PR C 1
C34A C 0.9938(10) 0.0583(12) 0.2878(8) 0.080(5) Uiso 0.637(16) 1 d PD C 1
H34A H 1.0112 0.0494 0.2883 0.119 Uiso 0.637(16) 1 calc PR C 1
H34B H 1.0054 0.0826 0.2771 0.119 Uiso 0.637(16) 1 calc PR C 1
H34C H 0.9720 0.0412 0.2748 0.119 Uiso 0.637(16) 1 calc PR C 1
C35A C 0.9091(7) 0.0419(6) 0.3075(7) 0.080(5) Uiso 0.637(16) 1 d PD C 1
H35A H 0.8904 0.0496 0.3086 0.095 Uiso 0.637(16) 1 calc PR C 1
H35B H 0.9147 0.0411 0.2834 0.095 Uiso 0.637(16) 1 calc PR C 1
C36A C 0.8925(8) 0.0046(6) 0.3207(8) 0.080(5) Uiso 0.637(16) 1 d PD C 1
H36A H 0.8701 -0.0114 0.3081 0.119 Uiso 0.637(16) 1 calc PR C 1
H36B H 0.8866 0.0046 0.3446 0.119 Uiso 0.637(16) 1 calc PR C 1
H36C H 0.9099 -0.0044 0.3183 0.119 Uiso 0.637(16) 1 calc PR C 1
P2A' P 0.9466(5) 0.0659(5) 0.3178(5) 0.062(5) Uiso 0.363(16) 1 d PD C 2
C31C C 0.9647(16) 0.0550(11) 0.3547(12) 0.093(10) Uiso 0.363(16) 1 d PD C 2
H31E H 0.9916 0.0669 0.3521 0.111 Uiso 0.363(16) 1 calc PR C 2
H31F H 0.9600 0.0664 0.3745 0.111 Uiso 0.363(16) 1 calc PR C 2
C32C C 0.9508(18) 0.0164(13) 0.3625(13) 0.093(10) Uiso 0.363(16) 1 d PD C 2
H32D H 0.9636 0.0143 0.3822 0.139 Uiso 0.363(16) 1 calc PR C 2
H32E H 0.9549 0.0044 0.3432 0.139 Uiso 0.363(16) 1 calc PR C 2
H32F H 0.9244 0.0044 0.3673 0.139 Uiso 0.363(16) 1 calc PR C 2
C33C C 0.9574(13) 0.0403(14) 0.2876(14) 0.093(10) Uiso 0.363(16) 1 d PD C 2
H33E H 0.9487 0.0155 0.2971 0.111 Uiso 0.363(16) 1 calc PR C 2
H33F H 0.9431 0.0372 0.2669 0.111 Uiso 0.363(16) 1 calc PR C 2
C34C C 0.9957(15) 0.055(2) 0.2779(18) 0.093(10) Uiso 0.363(16) 1 d PD C 2
H34D H 0.9978 0.0384 0.2623 0.139 Uiso 0.363(16) 1 calc PR C 2
H34E H 1.0106 0.0587 0.2980 0.139 Uiso 0.363(16) 1 calc PR C 2
H34F H 1.0045 0.0791 0.2667 0.139 Uiso 0.363(16) 1 calc PR C 2
C35C C 0.8969(6) 0.0417(17) 0.3206(12) 0.093(10) Uiso 0.363(16) 1 d PD C 2
H35E H 0.8875 0.0498 0.3016 0.111 Uiso 0.363(16) 1 calc PR C 2
H35F H 0.8880 0.0152 0.3173 0.111 Uiso 0.363(16) 1 calc PR C 2
C36C C 0.8804(10) 0.0457(18) 0.3515(14) 0.093(10) Uiso 0.363(16) 1 d PD C 2
H36D H 0.8544 0.0371 0.3476 0.139 Uiso 0.363(16) 1 calc PR C 2
H36E H 0.8930 0.0716 0.3582 0.139 Uiso 0.363(16) 1 calc PR C 2
H36F H 0.8829 0.0311 0.3694 0.139 Uiso 0.363(16) 1 calc PR C 2
C41A C 0.7954(5) 0.1037(5) 0.3048(4) 0.048(4) Uani 1 1 d . . .
C42A C 0.7841(5) 0.0786(5) 0.2797(5) 0.057(5) Uani 1 1 d . . .
H42A H 0.7991 0.0691 0.2722 0.068 Uiso 1 1 calc R . .
C43A C 0.7498(5) 0.0669(5) 0.2650(5) 0.062(5) Uani 1 1 d . . .
H43A H 0.7397 0.0471 0.2494 0.075 Uiso 1 1 calc R . .
C44A C 0.7303(5) 0.0853(6) 0.2737(5) 0.067(6) Uani 1 1 d . . .
H44A H 0.7078 0.0789 0.2629 0.081 Uiso 1 1 calc R . .
C45A C 0.7441(5) 0.1122(6) 0.2977(5) 0.065(6) Uani 1 1 d . . .
H45A H 0.7308 0.1241 0.3039 0.078 Uiso 1 1 calc R . .
C46A C 0.7771(5) 0.1220(5) 0.3129(5) 0.057(5) Uani 1 1 d . . .
H46A H 0.7872 0.1414 0.3289 0.068 Uiso 1 1 calc R . .
C51A C 0.8281(5) 0.0892(6) 0.3624(5) 0.057(5) Uani 1 1 d . . .
C52A C 0.8065(8) 0.0539(7) 0.3592(6) 0.101(9) Uani 1 1 d . . .
H52A H 0.7966 0.0434 0.3378 0.121 Uiso 1 1 calc R . .
C53A C 0.7979(10) 0.0310(8) 0.3885(10) 0.146(14) Uani 1 1 d . . .
H53A H 0.7822 0.0052 0.3868 0.175 Uiso 1 1 calc R . .
C54A C 0.8124(9) 0.0465(10) 0.4181(6) 0.101(10) Uani 1 1 d . . .
H54A H 0.8053 0.0316 0.4378 0.121 Uiso 1 1 calc R . .
C55A C 0.8364(7) 0.0821(7) 0.4210(7) 0.082(7) Uani 1 1 d . . .
H55A H 0.8478 0.0926 0.4419 0.098 Uiso 1 1 calc R . .
C56A C 0.8443(6) 0.1041(6) 0.3912(6) 0.071(6) Uani 1 1 d . . .
H56A H 0.8613 0.1297 0.3923 0.085 Uiso 1 1 calc R . .
C61A C 0.8497(5) 0.1882(5) 0.2719(4) 0.045(4) Uani 1 1 d . . .
C62A C 0.8453(5) 0.1685(5) 0.2434(4) 0.054(5) Uani 1 1 d . . .
H62A H 0.8610 0.1588 0.2397 0.065 Uiso 1 1 calc R . .
C63A C 0.8192(5) 0.1624(6) 0.2202(4) 0.056(5) Uani 1 1 d . . .
H63A H 0.8162 0.1476 0.2010 0.067 Uiso 1 1 calc R . .
C64A C 0.7975(5) 0.1773(5) 0.2243(4) 0.046(4) Uani 1 1 d . . .
H64A H 0.7795 0.1733 0.2078 0.055 Uiso 1 1 calc R . .
C65A C 0.8012(6) 0.1978(6) 0.2520(5) 0.063(6) Uani 1 1 d . . .
H65A H 0.7862 0.2087 0.2546 0.076 Uiso 1 1 calc R . .
C66A C 0.8272(5) 0.2030(6) 0.2767(5) 0.056(5) Uani 1 1 d . . .
H66A H 0.8292 0.2164 0.2966 0.068 Uiso 1 1 calc R . .
C71A C 0.8967(5) 0.2396(5) 0.3216(5) 0.052(5) Uani 1 1 d . . .
C72A C 0.9125(6) 0.2689(6) 0.2999(4) 0.065(6) Uani 1 1 d . . .
H72A H 0.9152 0.2644 0.2769 0.078 Uiso 1 1 calc R . .
C73A C 0.9253(6) 0.3064(6) 0.3106(6) 0.077(7) Uani 1 1 d . . .
H73A H 0.9373 0.3268 0.2959 0.092 Uiso 1 1 calc R . .
C74A C 0.9186(7) 0.3099(6) 0.3444(5) 0.074(7) Uani 1 1 d . . .
H74A H 0.9241 0.3335 0.3522 0.088 Uiso 1 1 calc R . .
C75A C 0.9053(6) 0.2832(5) 0.3659(5) 0.059(5) Uani 1 1 d . . .
H75A H 0.9032 0.2880 0.3889 0.071 Uiso 1 1 calc R . .
C76A C 0.8938(5) 0.2469(5) 0.3554(4) 0.046(4) Uani 1 1 d . . .
H76A H 0.8842 0.2275 0.3714 0.055 Uiso 1 1 calc R . .
Pt1B Pt 0.794532(19) 0.171835(19) 0.452933(18) 0.0444(2) Uani 1 1 d . . .
Au1B Au 0.779792(17) 0.250785(17) 0.440634(16) 0.03570(17) Uani 1 1 d . . .
Au2B Au 0.862479(17) 0.274577(17) 0.461635(16) 0.03874(18) Uani 1 1 d . . .
P1B P 0.73291(13) 0.13601(12) 0.44751(12) 0.0456(11) Uani 1 1 d . . .
P2B P 0.79893(14) 0.15424(14) 0.50583(13) 0.0570(13) Uani 1 1 d . . .
P3B P 0.77278(11) 0.28616(11) 0.48052(10) 0.0352(10) Uani 1 1 d . . .
P4B P 0.85486(11) 0.32323(12) 0.47404(10) 0.0361(10) Uani 1 1 d . . .
O1B O 0.7953(7) 0.3450(8) 0.2592(7) 0.038(8) Uiso 0.42(5) 1 d PD D 1
O2B O 0.7610(8) 0.3467(7) 0.2974(8) 0.038(8) Uiso 0.42(5) 1 d PD D 1
N4B N 0.7804(9) 0.3348(9) 0.2867(7) 0.038(8) Uiso 0.42(5) 1 d PD D 1
O1B' O 0.7999(7) 0.3323(9) 0.2495(6) 0.070(7) Uiso 0.58(5) 1 d PD D 2
O2B' O 0.7718(9) 0.3472(7) 0.2887(8) 0.070(7) Uiso 0.58(5) 1 d PD D 2
N4B' N 0.7868(10) 0.3310(9) 0.2774(6) 0.070(7) Uiso 0.58(5) 1 d PD D 2
O3B O 1.0783(4) 0.3518(5) 0.4156(5) 0.108(6) Uani 1 1 d . . .
O4B O 1.0644(4) 0.3848(5) 0.4453(5) 0.097(6) Uani 1 1 d . . .
N1B N 0.7958(3) 0.1963(3) 0.4072(3) 0.036(3) Uani 1 1 d . . .
N2B N 0.8057(4) 0.1868(4) 0.3783(4) 0.055(4) Uani 1 1 d . . .
N3B N 0.8062(4) 0.2083(4) 0.3556(4) 0.058(4) Uani 1 1 d . . .
N5B N 0.8503(4) 0.1994(4) 0.4493(4) 0.050(4) Uani 1 1 d . . .
N6B N 0.8670(4) 0.1795(4) 0.4402(4) 0.056(4) Uani 1 1 d . . .
N7B N 0.9013(4) 0.2023(4) 0.4362(4) 0.055(4) Uani 1 1 d . . .
N8B N 1.0552(5) 0.3559(6) 0.4311(6) 0.080(6) Uani 1 1 d . . .
C1B C 0.7894(4) 0.2238(4) 0.4034(4) 0.032(4) Uani 1 1 d . . .
C2B C 0.7965(4) 0.2317(4) 0.3693(5) 0.043(4) Uani 1 1 d . . .
C3B C 0.7934(4) 0.2587(5) 0.3478(4) 0.046(4) Uani 1 1 d . D .
C4B C 0.8156(5) 0.2730(5) 0.3187(5) 0.056(5) Uani 1 1 d . . .
H4BA H 0.8338 0.2665 0.3139 0.067 Uiso 1 1 calc R . .
C5B C 0.8112(5) 0.2967(5) 0.2967(5) 0.054(5) Uani 1 1 d . D .
H5BA H 0.8246 0.3047 0.2762 0.064 Uiso 1 1 calc R . .
C6B C 0.7867(5) 0.3079(5) 0.3060(4) 0.054(5) Uani 1 1 d D . .
C7B C 0.7652(5) 0.2953(4) 0.3336(4) 0.044(4) Uani 1 1 d . D .
H7BA H 0.7478 0.3028 0.3384 0.053 Uiso 1 1 calc R . .
C8B C 0.7692(4) 0.2704(4) 0.3556(4) 0.040(4) Uani 1 1 d . . .
H8BA H 0.7550 0.2619 0.3756 0.048 Uiso 1 1 calc R D .
C11B C 0.8751(5) 0.2351(5) 0.4511(4) 0.047(5) Uani 1 1 d . . .
C12B C 0.9097(5) 0.2375(5) 0.4429(4) 0.046(4) Uani 1 1 d . . .
C13B C 0.9463(5) 0.2677(5) 0.4403(5) 0.055(5) Uani 1 1 d . . .
C14B C 0.9734(6) 0.2645(6) 0.4217(6) 0.078(7) Uani 1 1 d . . .
H14B H 0.9674 0.2424 0.4103 0.094 Uiso 1 1 calc R . .
C15B C 1.0084(7) 0.2939(9) 0.4204(7) 0.097(9) Uani 1 1 d . . .
H15B H 1.0267 0.2912 0.4089 0.116 Uiso 1 1 calc R . .
C16B C 1.0181(6) 0.3268(7) 0.4346(5) 0.069(6) Uani 1 1 d . . .
C17B C 0.9929(6) 0.3319(6) 0.4517(6) 0.075(7) Uani 1 1 d . . .
H17B H 0.9996 0.3546 0.4623 0.090 Uiso 1 1 calc R . .
C18B C 0.9573(5) 0.3031(5) 0.4530(5) 0.061(6) Uani 1 1 d . . .
H18B H 0.9392 0.3073 0.4629 0.073 Uiso 1 1 calc R . .
C19B C 0.8166(4) 0.3147(4) 0.5025(4) 0.040(4) Uani 1 1 d . . .
H19C H 0.8176 0.3019 0.5231 0.048 Uiso 1 1 calc R . .
H19D H 0.8186 0.3383 0.5093 0.048 Uiso 1 1 calc R . .
C21B C 0.7217(5) 0.0917(5) 0.4320(5) 0.060(5) Uani 1 1 d . . .
H21E H 0.7219 0.0768 0.4512 0.072 Uiso 1 1 calc R . .
H21F H 0.6963 0.0796 0.4231 0.072 Uiso 1 1 calc R . .
C22B C 0.7465(6) 0.0910(5) 0.4047(6) 0.078(7) Uani 1 1 d . . .
H22G H 0.7379 0.0655 0.3980 0.118 Uiso 1 1 calc R . .
H22H H 0.7716 0.1020 0.4133 0.118 Uiso 1 1 calc R . .
H22I H 0.7460 0.1049 0.3851 0.118 Uiso 1 1 calc R . .
C23B C 0.7035(5) 0.1239(5) 0.4843(4) 0.054(5) Uani 1 1 d . . .
H23E H 0.6794 0.1023 0.4789 0.064 Uiso 1 1 calc R . .
H23F H 0.7145 0.1168 0.5028 0.064 Uiso 1 1 calc R . .
C24B C 0.6975(6) 0.1551(6) 0.4967(5) 0.067(6) Uani 1 1 d . . .
H24G H 0.6814 0.1469 0.5165 0.100 Uiso 1 1 calc R . .
H24H H 0.6861 0.1620 0.4787 0.100 Uiso 1 1 calc R . .
H24I H 0.7212 0.1764 0.5027 0.100 Uiso 1 1 calc R . .
C25B C 0.7100(4) 0.1521(4) 0.4214(4) 0.045(4) Uani 1 1 d . . .
H25E H 0.6836 0.1387 0.4274 0.054 Uiso 1 1 calc R . .
H25F H 0.7196 0.1784 0.4265 0.054 Uiso 1 1 calc R . .
C26B C 0.7135(6) 0.1481(6) 0.3820(5) 0.077(7) Uani 1 1 d . . .
H26G H 0.6999 0.1578 0.3699 0.116 Uiso 1 1 calc R . .
H26H H 0.7034 0.1221 0.3764 0.116 Uiso 1 1 calc R . .
H26I H 0.7394 0.1619 0.3755 0.116 Uiso 1 1 calc R . .
C31B C 0.7803(6) 0.1714(5) 0.5369(5) 0.073(6) Uani 1 1 d . . .
H31C H 0.7532 0.1583 0.5347 0.087 Uiso 1 1 calc R . .
H31D H 0.7863 0.1662 0.5596 0.087 Uiso 1 1 calc R . .
C32B C 0.7949(6) 0.2121(5) 0.5334(6) 0.074(6) Uani 1 1 d . . .
H32G H 0.7839 0.2201 0.5507 0.111 Uiso 1 1 calc R . .
H32H H 0.7888 0.2173 0.5110 0.111 Uiso 1 1 calc R . .
H32I H 0.8217 0.2252 0.5362 0.111 Uiso 1 1 calc R . .
C33B C 0.7770(6) 0.1051(6) 0.5139(5) 0.063(6) Uani 1 1 d . . .
H33C H 0.7782 0.1013 0.5384 0.076 Uiso 1 1 calc R . .
H33D H 0.7507 0.0936 0.5077 0.076 Uiso 1 1 calc R . .
C34B C 0.7927(8) 0.0867(7) 0.4961(6) 0.096(8) Uani 1 1 d . . .
H34G H 0.7796 0.0606 0.5021 0.144 Uiso 1 1 calc R . .
H34H H 0.8186 0.0976 0.5023 0.144 Uiso 1 1 calc R . .
H34I H 0.7907 0.0894 0.4718 0.144 Uiso 1 1 calc R . .
C35B C 0.8462(5) 0.1732(6) 0.5189(5) 0.071(6) Uani 1 1 d . . .
H35C H 0.8579 0.1628 0.5044 0.085 Uiso 1 1 calc R . .
H35D H 0.8592 0.2000 0.5151 0.085 Uiso 1 1 calc R . .
C36B C 0.8512(7) 0.1659(9) 0.5557(7) 0.137(14) Uani 1 1 d . . .
H36G H 0.8774 0.1767 0.5606 0.206 Uiso 1 1 calc R . .
H36H H 0.8388 0.1394 0.5596 0.206 Uiso 1 1 calc R . .
H36I H 0.8406 0.1769 0.5704 0.206 Uiso 1 1 calc R . .
C41B C 0.7596(5) 0.3178(5) 0.4632(4) 0.0455(17) Uani 1 1 d . . .
C42B C 0.7589(5) 0.3440(5) 0.4838(4) 0.0455(17) Uani 1 1 d . . .
H42B H 0.7651 0.3454 0.5070 0.055 Uiso 1 1 calc R . .
C43B C 0.7491(5) 0.3681(5) 0.4702(4) 0.0455(17) Uani 1 1 d . . .
H43B H 0.7498 0.3868 0.4841 0.055 Uiso 1 1 calc R . .
C44B C 0.7386(5) 0.3657(5) 0.4373(4) 0.0455(17) Uani 1 1 d . . .
H44B H 0.7322 0.3826 0.4283 0.055 Uiso 1 1 calc R . .
C45B C 0.7374(5) 0.3383(5) 0.4174(4) 0.0455(17) Uani 1 1 d . . .
H45B H 0.7295 0.3360 0.3947 0.055 Uiso 1 1 calc R . .
C46B C 0.7473(5) 0.3151(5) 0.4298(4) 0.0455(17) Uani 1 1 d . . .
H46B H 0.7461 0.2962 0.4157 0.055 Uiso 1 1 calc R . .
C51B C 0.7384(4) 0.2631(4) 0.5136(4) 0.036(4) Uani 1 1 d . . .
C52B C 0.7035(4) 0.2385(4) 0.5034(5) 0.046(4) Uani 1 1 d . . .
H52B H 0.6982 0.2342 0.4801 0.056 Uiso 1 1 calc R . .
C53B C 0.6764(5) 0.2203(5) 0.5263(5) 0.052(5) Uani 1 1 d . . .
H53B H 0.6521 0.2037 0.5190 0.063 Uiso 1 1 calc R . .
C54B C 0.6842(5) 0.2261(5) 0.5601(6) 0.064(6) Uani 1 1 d . . .
H54B H 0.6651 0.2129 0.5759 0.077 Uiso 1 1 calc R . .
C55B C 0.7185(5) 0.2502(5) 0.5716(5) 0.059(5) Uani 1 1 d . . .
H55B H 0.7235 0.2541 0.5950 0.070 Uiso 1 1 calc R . .
C56B C 0.7464(5) 0.2692(5) 0.5475(4) 0.051(5) Uani 1 1 d . . .
H56B H 0.7707 0.2861 0.5546 0.061 Uiso 1 1 calc R . .
C61B C 0.8957(4) 0.3599(4) 0.4937(4) 0.034(4) Uani 1 1 d . . .
C62B C 0.8957(4) 0.3816(5) 0.5188(4) 0.044(4) Uani 1 1 d . . .
H62B H 0.8729 0.3764 0.5284 0.053 Uiso 1 1 calc R . .
C63B C 0.9264(4) 0.4101(5) 0.5304(4) 0.047(4) Uani 1 1 d . . .
H63B H 0.9248 0.4244 0.5482 0.056 Uiso 1 1 calc R . .
C64B C 0.9603(4) 0.4194(5) 0.5174(4) 0.045(4) Uani 1 1 d . . .
H64B H 0.9821 0.4397 0.5260 0.055 Uiso 1 1 calc R . .
C65B C 0.9614(4) 0.3986(5) 0.4918(5) 0.051(5) Uani 1 1 d . . .
H65B H 0.9843 0.4038 0.4825 0.062 Uiso 1 1 calc R . .
C66B C 0.9292(4) 0.3697(5) 0.4791(4) 0.045(4) Uani 1 1 d . . .
H66B H 0.9301 0.3564 0.4601 0.054 Uiso 1 1 calc R . .
C71B C 0.8491(5) 0.3458(5) 0.4367(5) 0.053(5) Uani 1 1 d . . .
C72B C 0.8444(4) 0.3755(4) 0.4409(5) 0.045(4) Uani 1 1 d . . .
H72B H 0.8436 0.3839 0.4629 0.054 Uiso 1 1 calc R . .
C73B C 0.8409(4) 0.3936(4) 0.4126(4) 0.045(4) Uani 1 1 d . . .
H73C H 0.8368 0.4137 0.4151 0.054 Uiso 1 1 calc R . .
C74B C 0.8436(5) 0.3813(5) 0.3809(5) 0.055(5) Uani 1 1 d . . .
H74B H 0.8410 0.3928 0.3614 0.066 Uiso 1 1 calc R . .
C75B C 0.8499(5) 0.3521(5) 0.3777(5) 0.059(6) Uani 1 1 d . . .
H75B H 0.8528 0.3447 0.3559 0.071 Uiso 1 1 calc R . .
C76B C 0.8519(5) 0.3343(5) 0.4045(5) 0.050(5) Uani 1 1 d . . .
H76B H 0.8553 0.3137 0.4018 0.060 Uiso 1 1 calc R . .
C91 C 0.6667 0.3333 0.5281(12) 0.079(12) Uani 1 3 d S . .
Cl1 Cl 0.6232(10) 0.3176(12) 0.5393(11) 0.213(17) Uani 0.50 1 d P . .
Cl1' Cl 0.6221(4) 0.3210(3) 0.5420(4) 0.046(3) Uani 0.50 1 d P . .
Cl31 Cl 1.1089(6) 0.2795(6) 0.2905(5) 0.071(6) Uiso 0.25 1 d P E 31
Cl32 Cl 1.0000 0.0000 0.5000 0.15(2) Uiso 0.07 1 d P F 31
C95 C 0.6667 0.3333 0.3333 0.071(15) Uiso 1 6 d S . 12
Cl11 Cl 0.6257(3) 0.3293(3) 0.3425(2) 0.025(2) Uiso 0.33 1 d P . 12
C92 C 0.2931(9) -0.1625(9) 0.3711(9) 0.282(14) Uiso 0.40 1 d PG G 1
H92A H 0.2969 -0.1810 0.3587 0.338 Uiso 0.40 1 d PG G 1
Cl2 Cl 0.3296(10) -0.1401(14) 0.4004(11) 0.282(14) Uiso 0.40 1 d PG G 1
Cl3 Cl 0.2501(10) -0.1865(12) 0.3920(12) 0.282(14) Uiso 0.40 1 d PG G 1
Cl4 Cl 0.2934(11) -0.1311(12) 0.3411(9) 0.282(14) Uiso 0.40 1 d PG G 1
C92' C 0.3020(2) -0.1396(2) 0.39216(18) 0.0932(19) Uiso 0.60 1 d PG H 2
H92B H 0.2967 -0.1291 0.4126 0.112 Uiso 0.60 1 d PG H 2
Cl2' Cl 0.3438(2) -0.1369(3) 0.4015(3) 0.0932(19) Uiso 0.60 1 d PG H 2
Cl3' Cl 0.2648(2) -0.1828(2) 0.3893(3) 0.0932(19) Uiso 0.60 1 d PG H 2
Cl4' Cl 0.3055(3) -0.1094(2) 0.3593(3) 0.0932(19) Uiso 0.60 1 d PG H 2
C93 C 1.0225(2) 0.3323(2) 0.3088(2) 0.096(2) Uiso 0.50 1 d PG I 1
H93A H 1.0049 0.3305 0.2909 0.115 Uiso 0.50 1 d PG I 1
Cl5 Cl 1.0077(3) 0.2873(2) 0.3238(3) 0.096(2) Uiso 0.50 1 d PG I 1
Cl6 Cl 1.0217(3) 0.3609(3) 0.3414(3) 0.096(2) Uiso 0.50 1 d PG I 1
Cl7 Cl 1.0667(3) 0.3518(3) 0.2901(3) 0.096(2) Uiso 0.50 1 d PG I 1
C93' C 1.0423(5) 0.3350(5) 0.3269(4) 0.107(5) Uiso 0.25 1 d PG J 2
H93B H 1.0556 0.3504 0.3469 0.129 Uiso 0.25 1 d PG J 2
Cl5' Cl 1.0019(6) 0.2958(7) 0.3418(7) 0.107(5) Uiso 0.25 1 d PG J 2
Cl6' Cl 1.0718(6) 0.3223(7) 0.3064(7) 0.107(5) Uiso 0.25 1 d PG J 2
Cl7' Cl 1.0314(7) 0.3621(6) 0.3001(7) 0.107(5) Uiso 0.25 1 d PG J 2
C94 C 1.0359(4) -0.1644(5) 0.5050(4) 0.127(5) Uiso 0.40 1 d PG K 1
H94A H 1.0236 -0.1540 0.4910 0.152 Uiso 0.40 1 d PG K 1
Cl8 Cl 1.0011(6) -0.2036(6) 0.5261(7) 0.127(5) Uiso 0.40 1 d PG K 1
Cl9 Cl 1.0651(6) -0.1301(5) 0.5341(5) 0.127(5) Uiso 0.40 1 d PG K 1
Cl10 Cl 1.0614(6) -0.1765(6) 0.4774(4) 0.127(5) Uiso 0.40 1 d PG K 1
C94" C 1.0508(6) -0.1825(5) 0.5236(4) 0.081(5) Uiso 0.25 1 d PG L 3
H94B H 1.0603 -0.1938 0.5401 0.098 Uiso 0.25 1 d PG L 3
Cl8" Cl 0.9992(6) -0.2004(8) 0.5318(8) 0.081(5) Uiso 0.25 1 d PG L 3
Cl9" Cl 1.0730(6) -0.1359(6) 0.5289(6) 0.081(5) Uiso 0.25 1 d PG L 3
Cl0" Cl 1.0524(6) -0.1973(6) 0.4824(5) 0.081(5) Uiso 0.25 1 d PG L 3
C97 C 1.1812(7) 0.3213(8) 0.3447(6) 0.120(8) Uiso 0.20 1 d PG M -22
H97 H 1.2026 0.3339 0.3604 0.144 Uiso 0.20 1 calc PR M -22
H97A H 1.2017 0.3334 0.3598 0.144 Uiso 0.20 1 d PG M -22
Cl13 Cl 1.1542(10) 0.3428(9) 0.3489(8) 0.120(8) Uiso 0.20 1 d PG M -22
Cl14 Cl 1.156(1) 0.2744(8) 0.3565(9) 0.120(8) Uiso 0.20 1 d PG M -22
Cl15 Cl 1.1989(10) 0.3265(10) 0.3031(8) 0.120(8) Uiso 0.20 1 d PG M -22
C96 C 1.0527(6) -0.1653(6) 0.3975(6) 0.109(6) Uiso 0.20 1 d PG N 11
H96A H 1.0331 -0.1820 0.3814 0.130 Uiso 0.20 1 d PG N 11
Cl16 Cl 1.0953(9) -0.1455(9) 0.3758(8) 0.109(6) Uiso 0.20 1 d PG N 11
Cl17 Cl 1.0522(9) -0.1921(8) 0.4322(8) 0.109(6) Uiso 0.20 1 d PG N 11
Cl18 Cl 1.0423(9) -0.1311(9) 0.4105(8) 0.109(6) Uiso 0.20 1 d PG N 11
C98 C 1.0819(8) -0.0969(7) 0.4199(6) 0.126(8) Uiso 0.20 1 d PG O 13
H98A H 1.0917 -0.0784 0.4012 0.151 Uiso 0.20 1 d PG O 13
Cl21 Cl 1.1152(8) -0.0806(10) 0.4526(9) 0.126(8) Uiso 0.20 1 d PG O 13
Cl22 Cl 1.0749(10) -0.1392(10) 0.4033(9) 0.126(8) Uiso 0.20 1 d PG O 13
Cl23 Cl 1.0400(9) -0.1008(11) 0.4338(10) 0.126(8) Uiso 0.20 1 d PG O 13
C201 C 0.936(3) -0.027(3) 0.410(2) 0.11(2) Uiso 0.20 1 d PG P 24
H20A H 0.9614 -0.0135 0.4025 0.158 Uiso 0.20 1 d PG P 24
H20B H 0.9296 -0.0102 0.4215 0.158 Uiso 0.20 1 d PG P 24
H20C H 0.9199 -0.0370 0.3897 0.158 Uiso 0.20 1 d PG P 24
C202 C 0.929(2) -0.059(2) 0.433(2) 0.11(2) Uiso 0.20 1 d PG P 24
H20D H 0.9484 -0.0504 0.4512 0.126 Uiso 0.20 1 d PG P 24
H20E H 0.9284 -0.0795 0.4209 0.126 Uiso 0.20 1 d PG P 24
C203 C 0.8914(18) -0.0679(19) 0.4476(18) 0.11(2) Uiso 0.20 1 d PG P 24
H20F H 0.8928 -0.0476 0.4613 0.126 Uiso 0.20 1 d PG P 24
H20G H 0.8730 -0.0743 0.4295 0.126 Uiso 0.20 1 d PG P 24
C204 C 0.884(2) -0.101(2) 0.469(2) 0.11(2) Uiso 0.20 1 d PG P 24
H20H H 0.9024 -0.0948 0.4869 0.126 Uiso 0.20 1 d PG P 24
H20I H 0.8820 -0.1216 0.4553 0.126 Uiso 0.20 1 d PG P 24
C205 C 0.846(2) -0.110(3) 0.484(2) 0.11(2) Uiso 0.20 1 d PG P 24
H20J H 0.8372 -0.1318 0.4988 0.158 Uiso 0.20 1 d PG P 24
H20K H 0.8286 -0.1158 0.4655 0.158 Uiso 0.20 1 d PG P 24
H20L H 0.8488 -0.0894 0.4968 0.158 Uiso 0.20 1 d PG P 24
C301 C 0.979(2) -0.173(2) 0.486(2) 0.084(15) Uiso 0.20 1 d PG Q 25
H30A H 0.9681 -0.1994 0.4826 0.126 Uiso 0.20 1 d PG Q 25
H30B H 0.9849 -0.1674 0.5102 0.126 Uiso 0.20 1 d PG Q 25
H30C H 1.0019 -0.1599 0.4731 0.126 Uiso 0.20 1 d PG Q 25
C302 C 0.9522(18) -0.1602(15) 0.475(2) 0.084(15) Uiso 0.20 1 d PG Q 25
H30D H 0.9326 -0.1665 0.4918 0.101 Uiso 0.20 1 d PG Q 25
H30E H 0.9412 -0.1703 0.4527 0.101 Uiso 0.20 1 d PG Q 25
C303 C 0.9796(15) -0.1183(15) 0.4735(16) 0.084(15) Uiso 0.20 1 d PG Q 25
H30F H 0.9893 -0.1079 0.4960 0.101 Uiso 0.20 1 d PG Q 25
H30G H 1.0003 -0.1123 0.4579 0.101 Uiso 0.20 1 d PG Q 25
C304 C 0.9537(18) -0.1057(18) 0.460(2) 0.084(15) Uiso 0.20 1 d PG Q 25
H30H H 0.9328 -0.1122 0.4751 0.101 Uiso 0.20 1 d PG Q 25
H30I H 0.9443 -0.1159 0.4370 0.101 Uiso 0.20 1 d PG Q 25
C305 C 0.980(2) -0.0639(17) 0.459(2) 0.084(15) Uiso 0.20 1 d PG Q 25
H30J H 0.9676 -0.0515 0.4501 0.126 Uiso 0.20 1 d PG Q 25
H30K H 1.0011 -0.0587 0.4437 0.126 Uiso 0.20 1 d PG Q 25
H30L H 0.9897 -0.0550 0.4813 0.126 Uiso 0.20 1 d PG Q 25

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1A 0.0477(5) 0.0674(5) 0.0601(5) -0.0011(4) 0.0015(4) 0.0336(4)
Au1A 0.0467(4) 0.0525(5) 0.0510(4) -0.0056(3) 0.0031(3) 0.0334(4)
Au2A 0.0457(4) 0.0594(5) 0.0531(4) -0.0032(3) 0.0030(3) 0.0330(4)
P3A 0.047(3) 0.050(3) 0.046(3) -0.006(2) -0.004(2) 0.032(2)
P4A 0.052(3) 0.052(3) 0.051(3) -0.008(2) 0.001(2) 0.033(3)
O3A 0.097(11) 0.068(10) 0.067(9) -0.007(8) -0.009(8) 0.057(9)
O4A 0.088(11) 0.069(9) 0.077(9) -0.019(7) -0.025(8) 0.063(9)
N1A 0.034(8) 0.044(9) 0.071(10) -0.017(8) 0.009(7) 0.016(7)
N2A 0.058(11) 0.054(11) 0.089(13) 0.002(9) 0.016(9) 0.030(9)
N3A 0.056(10) 0.073(12) 0.066(11) -0.018(9) 0.006(8) 0.043(10)
N5A 0.042(9) 0.056(10) 0.049(9) 0.008(7) 0.010(7) 0.030(8)
N6A 0.048(9) 0.048(9) 0.052(9) 0.001(7) 0.004(8) 0.029(8)
N7A 0.056(10) 0.053(10) 0.061(10) -0.004(8) 0.006(8) 0.036(9)
N8A 0.074(12) 0.044(10) 0.059(11) -0.002(8) 0.001(9) 0.035(9)
C1A 0.036(10) 0.071(13) 0.058(11) -0.009(10) 0.002(9) 0.038(10)
C2A 0.047(12) 0.054(13) 0.074(14) -0.009(10) 0.006(10) 0.026(10)
C3A 0.064(13) 0.048(11) 0.034(9) -0.005(8) 0.006(9) 0.027(10)
C4A 0.070(16) 0.090(18) 0.077(15) -0.015(13) 0.013(12) 0.042(14)
C5A 0.12(2) 0.066(16) 0.12(2) 0.031(15) 0.061(18) 0.058(17)
C6A 0.18(3) 0.085(19) 0.058(14) 0.008(13) 0.005(16) 0.10(2)
C7A 0.091(17) 0.064(14) 0.052(12) 0.003(11) 0.022(12) 0.045(14)
C8A 0.075(15) 0.057(13) 0.055(12) -0.007(10) 0.00(1) 0.034(12)
C11A 0.029(9) 0.048(10) 0.060(11) 0.000(8) 0.018(8) 0.031(8)
C12A 0.067(13) 0.046(11) 0.058(12) 0.003(9) 0.014(10) 0.041(10)
C13A 0.046(11) 0.032(10) 0.066(13) 0.009(9) 0.002(9) 0.019(9)
C14A 0.047(11) 0.032(9) 0.046(10) 0.008(8) 0.012(9) 0.023(8)
C15A 0.058(12) 0.045(11) 0.050(11) 0.001(9) 0.008(9) 0.032(10)
C16A 0.057(12) 0.043(11) 0.054(11) -0.003(9) -0.003(9) 0.033(10)
C17A 0.060(13) 0.070(14) 0.065(13) 0.000(11) -0.002(10) 0.047(12)
C18A 0.070(13) 0.065(13) 0.049(11) 0.001(9) 0.017(10) 0.054(12)
C19A 0.053(11) 0.046(11) 0.038(9) -0.007(8) -0.012(8) 0.029(9)
C41A 0.059(12) 0.055(12) 0.043(10) 0.009(9) 0.007(9) 0.038(10)
C42A 0.070(14) 0.039(11) 0.072(13) -0.029(10) -0.008(11) 0.034(10)
C43A 0.049(12) 0.045(12) 0.075(14) 0.001(10) -0.008(10) 0.011(10)
C44A 0.041(12) 0.101(18) 0.062(13) 0.007(12) -0.004(10) 0.037(12)
C45A 0.051(13) 0.066(14) 0.081(15) -0.026(12) -0.007(11) 0.031(11)
C46A 0.035(11) 0.057(12) 0.066(13) -0.01(1) 0.002(9) 0.014(10)
C51A 0.050(12) 0.054(13) 0.069(14) -0.014(10) -0.009(10) 0.027(11)
C52A 0.17(3) 0.061(17) 0.057(14) 0.010(12) 0.002(16) 0.052(18)
C53A 0.19(4) 0.061(19) 0.18(4) -0.01(2) -0.04(3) 0.06(2)
C54A 0.15(3) 0.15(3) 0.038(13) 0.013(16) -0.009(15) 0.10(3)
C55A 0.074(17) 0.063(16) 0.095(19) 0.004(14) -0.003(14) 0.025(14)
C56A 0.055(13) 0.077(16) 0.077(16) 0.008(13) 0.000(12) 0.030(12)
C61A 0.047(11) 0.075(13) 0.023(8) 0.009(8) 0.010(7) 0.037(10)
C62A 0.051(12) 0.081(14) 0.045(11) -0.013(10) 0.001(9) 0.045(11)
C63A 0.049(12) 0.081(15) 0.045(11) 0.00(1) -0.008(9) 0.038(11)
C64A 0.042(11) 0.050(11) 0.042(10) 0.004(8) 0.004(8) 0.020(9)
C65A 0.077(15) 0.083(15) 0.058(13) -0.008(11) 0.002(11) 0.062(13)
C66A 0.065(13) 0.079(14) 0.049(11) -0.008(10) -0.003(10) 0.054(12)
C71A 0.046(11) 0.058(12) 0.061(12) 0.014(10) 0.010(9) 0.034(10)
C72A 0.073(14) 0.093(17) 0.027(10) -0.016(10) -0.002(9) 0.040(13)
C73A 0.093(18) 0.043(13) 0.091(18) -0.001(11) 0.008(14) 0.031(12)
C74A 0.13(2) 0.056(14) 0.049(13) -0.007(11) -0.016(13) 0.057(14)
C75A 0.086(15) 0.054(13) 0.055(12) -0.007(10) -0.020(11) 0.048(12)
C76A 0.052(11) 0.053(12) 0.043(10) -0.007(8) -0.010(8) 0.034(10)
Pt1B 0.0405(4) 0.0372(4) 0.0574(4) -0.0008(3) -0.0032(3) 0.0208(3)
Au1B 0.0325(4) 0.0313(4) 0.0429(4) -0.0024(3) -0.0020(3) 0.0157(3)
Au2B 0.0345(4) 0.0357(4) 0.0472(4) -0.0022(3) -0.0030(3) 0.0183(3)
P1B 0.041(3) 0.037(3) 0.057(3) 0.006(2) -0.005(2) 0.018(2)
P2B 0.052(3) 0.052(3) 0.065(3) 0.004(3) -0.007(3) 0.024(3)
P3B 0.029(2) 0.032(2) 0.042(2) -0.0027(18) -0.0044(18) 0.0135(19)
P4B 0.031(2) 0.035(2) 0.042(2) 0.0001(19) -0.0013(19) 0.016(2)
O3B 0.044(10) 0.105(14) 0.155(17) 0.012(12) 0.006(11) 0.024(10)
O4B 0.052(10) 0.082(12) 0.122(14) 0.008(11) -0.035(9) 0.007(9)
N1B 0.032(7) 0.029(7) 0.046(8) -0.005(6) 0.002(6) 0.014(6)
N2B 0.061(11) 0.038(9) 0.073(11) -0.002(8) 0.004(8) 0.030(8)
N3B 0.054(10) 0.049(10) 0.074(11) 0.009(9) 0.020(8) 0.028(9)
N5B 0.024(8) 0.045(9) 0.079(11) -0.003(8) -0.013(7) 0.017(7)
N6B 0.049(10) 0.042(9) 0.078(11) 0.008(8) 0.008(8) 0.023(9)
N7B 0.054(11) 0.062(11) 0.054(9) -0.010(8) -0.019(8) 0.033(9)
N8B 0.026(10) 0.074(14) 0.116(17) 0.003(12) -0.023(11) 0.007(10)
C1B 0.022(8) 0.032(9) 0.043(10) 0.000(7) -0.003(7) 0.013(7)
C2B 0.033(9) 0.029(9) 0.068(12) -0.014(8) 0.010(8) 0.016(8)
C3B 0.033(10) 0.048(11) 0.044(10) -0.017(8) -0.012(8) 0.010(9)
C4B 0.042(11) 0.046(11) 0.064(13) -0.008(10) 0.014(9) 0.011(9)
C5B 0.051(12) 0.034(10) 0.050(11) 0.004(9) -0.002(9) 0.002(9)
C6B 0.052(12) 0.041(11) 0.047(11) -0.001(9) -0.018(10) 0.007(10)
C7B 0.043(10) 0.037(10) 0.049(11) -0.001(8) -0.014(9) 0.018(9)
C8B 0.039(10) 0.039(10) 0.038(9) -0.011(8) -0.005(7) 0.018(8)
C11B 0.047(11) 0.038(10) 0.060(11) -0.022(9) -0.025(9) 0.024(9)
C12B 0.047(11) 0.03(1) 0.062(12) -0.008(8) -0.004(9) 0.020(9)
C13B 0.03(1) 0.062(13) 0.073(13) 0.004(10) -0.006(9) 0.022(10)
C14B 0.043(13) 0.068(15) 0.12(2) -0.020(13) 0.008(12) 0.023(12)
C15B 0.063(17) 0.14(3) 0.10(2) 0.020(19) 0.023(14) 0.059(19)
C16B 0.065(16) 0.080(17) 0.060(14) 0.001(12) -0.005(11) 0.036(14)
C17B 0.057(14) 0.055(14) 0.099(17) 0.007(12) -0.027(13) 0.017(12)
C18B 0.060(13) 0.060(13) 0.082(14) -0.027(11) -0.055(11) 0.044(11)
C19B 0.024(8) 0.032(9) 0.05(1) -0.002(8) -0.004(7) 0.003(7)
C21B 0.054(12) 0.048(12) 0.068(13) -0.004(10) -0.009(10) 0.018(10)
C22B 0.089(17) 0.040(12) 0.103(18) -0.006(12) -0.014(14) 0.030(12)
C23B 0.047(11) 0.066(13) 0.047(11) 0.011(9) -0.004(9) 0.027(10)
C24B 0.057(13) 0.074(15) 0.061(13) 0.001(11) 0.02(1) 0.026(12)
C25B 0.033(9) 0.024(9) 0.056(11) -0.001(8) -0.020(8) -0.003(7)
C26B 0.069(15) 0.058(14) 0.087(17) 0.020(12) -0.006(12) 0.018(12)
C31B 0.086(16) 0.055(13) 0.083(15) -0.001(11) -0.023(12) 0.040(13)
C32B 0.078(16) 0.058(14) 0.086(16) 0.008(12) 0.003(12) 0.034(13)
C33B 0.078(15) 0.081(15) 0.042(11) 0.017(10) 0.00(1) 0.049(13)
C34B 0.12(2) 0.082(18) 0.097(19) 0.004(15) -0.024(16) 0.061(18)
C35B 0.060(14) 0.084(16) 0.062(13) 0.008(11) -0.009(11) 0.031(12)
C36B 0.067(18) 0.18(3) 0.11(2) 0.06(2) -0.027(16) 0.015(19)
C41B 0.045(4) 0.046(4) 0.047(4) -0.002(3) -0.002(3) 0.024(4)
C42B 0.045(4) 0.046(4) 0.047(4) -0.002(3) -0.002(3) 0.024(4)
C43B 0.045(4) 0.046(4) 0.047(4) -0.002(3) -0.002(3) 0.024(4)
C44B 0.045(4) 0.046(4) 0.047(4) -0.002(3) -0.002(3) 0.024(4)
C45B 0.045(4) 0.046(4) 0.047(4) -0.002(3) -0.002(3) 0.024(4)
C46B 0.045(4) 0.046(4) 0.047(4) -0.002(3) -0.002(3) 0.024(4)
C51B 0.045(10) 0.034(9) 0.035(9) 0.005(7) 0.009(8) 0.023(8)
C52B 0.029(10) 0.035(10) 0.075(13) -0.003(9) -0.005(9) 0.016(8)
C53B 0.046(12) 0.046(11) 0.056(12) -0.005(9) -0.006(10) 0.016(9)
C54B 0.045(12) 0.049(12) 0.086(16) 0.017(11) 0.016(11) 0.015(10)
C55B 0.055(13) 0.056(13) 0.056(12) 0.005(10) 0.01(1) 0.021(11)
C56B 0.035(10) 0.060(12) 0.04(1) 0.002(9) 0.013(8) 0.010(9)
C61B 0.023(8) 0.037(9) 0.048(10) 0.006(8) 0.002(7) 0.018(7)
C62B 0.026(9) 0.075(13) 0.027(9) -0.006(9) -0.011(7) 0.023(9)
C63B 0.036(10) 0.059(12) 0.047(10) 0.006(9) -0.002(8) 0.026(10)
C64B 0.029(9) 0.058(12) 0.056(11) -0.014(9) -0.013(8) 0.027(9)
C65B 0.023(9) 0.045(11) 0.076(13) 0.004(10) 0.007(9) 0.009(8)
C66B 0.033(10) 0.062(12) 0.035(9) -0.013(8) -0.005(7) 0.021(9)
C71B 0.041(11) 0.039(10) 0.082(14) 0.025(10) -0.014(10) 0.022(9)
C72B 0.042(10) 0.029(9) 0.066(12) 0.008(8) -0.001(9) 0.020(8)
C73B 0.036(10) 0.027(9) 0.062(12) 0.011(8) -0.013(8) 0.007(8)
C74B 0.059(13) 0.031(10) 0.062(13) 0.009(9) -0.022(10) 0.012(9)
C75B 0.053(12) 0.049(12) 0.043(11) 0.003(9) -0.009(9) 0.001(10)
C76B 0.042(11) 0.042(11) 0.057(12) -0.004(9) -0.012(9) 0.015(9)
C91 0.041(13) 0.041(13) 0.16(4) 0.000 0.000 0.020(6)
Cl1 0.11(2) 0.26(4) 0.24(4) -0.05(3) 0.03(2) 0.07(2)
Cl1' 0.029(7) 0.031(5) 0.084(9) 0.001(5) -0.003(6) 0.018(5)

_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
Pt1A N1A 2.025(15) . ?
Pt1A N5A 2.042(14) . ?
Pt1A P2A 2.190(9) . ?
Pt1A P1A 2.265(6) . ?
Pt1A P2A' 2.440(18) . ?
Au1A C11A 2.055(14) . ?
Au1A P4A 2.303(5) . ?
Au1A Au2A 3.1631(11) . ?
Au2A C1A 2.036(16) . ?
Au2A P3A 2.283(5) . ?
P3A C71A 1.78(2) . ?
P3A C61A 1.829(17) . ?
P3A C19A 1.890(17) . ?
P4A C19A 1.804(16) . ?
P4A C51A 1.83(2) . ?
P4A C41A 1.858(19) . ?
O1A N4A 1.211(16) . ?
O2A N4A 1.212(16) . ?
N4A C6A 1.494(19) . ?
O1A' N4A' 1.212(16) . ?
O2A' N4A' 1.213(16) . ?
N4A' C6A 1.495(19) . ?
O3A N8A 1.233(18) . ?
O4A N8A 1.228(19) . ?
N1A C1A 1.36(2) . ?
N1A N2A 1.38(2) . ?
N2A N3A 1.33(2) . ?
N3A C2A 1.40(2) . ?
N5A N6A 1.348(18) . ?
N5A C11A 1.35(2) . ?
N6A N7A 1.323(19) . ?
N7A C12A 1.37(2) . ?
N8A C16A 1.46(2) . ?
C1A C2A 1.41(3) . ?
C2A C3A 1.45(3) . ?
C3A C4A 1.39(3) . ?
C3A C8A 1.44(3) . ?
C4A C5A 1.38(3) . ?
C4A H4AA 0.9500 . ?
C5A C6A 1.41(4) . ?
C5A H5AA 0.9500 . ?
C6A C7A 1.38(3) . ?
C7A C8A 1.33(3) . ?
C7A H7AA 0.9500 . ?
C8A H8AA 0.9500 . ?
C11A C12A 1.42(2) . ?
C12A C13A 1.44(3) . ?
C13A C14A 1.37(2) . ?
C13A C18A 1.41(2) . ?
C14A C15A 1.34(2) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.42(2) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.36(2) . ?
C17A C18A 1.38(3) . ?
C17A H17A 0.9500 . ?
C18A H18A 0.9500 . ?
C19A H19A 0.9900 . ?
C19A H19B 0.9900 . ?
P1A C25C 1.821(15) . ?
P1A C25A 1.821(15) . ?
P1A C23A 1.822(15) . ?
P1A C21A 1.822(15) . ?
P1A C23C 1.822(15) . ?
P1A C21C 1.823(15) . ?
C21A C22A 1.61(2) . ?
C21A H21A 0.9900 . ?
C21A H21B 0.9900 . ?
C22A H22A 0.9800 . ?
C22A H22B 0.9800 . ?
C22A H22C 0.9800 . ?
C23A C24A 1.61(2) . ?
C23A H23A 0.9900 . ?
C23A H23B 0.9900 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C25A C26A 1.61(2) . ?
C25A H25A 0.9900 . ?
C25A H25B 0.9900 . ?
C26A H26A 0.9800 . ?
C26A H26B 0.9800 . ?
C26A H26C 0.9800 . ?
C21C C22C 1.61(2) . ?
C21C H21C 0.9900 . ?
C21C H21D 0.9900 . ?
C22C H22D 0.9800 . ?
C22C H22E 0.9800 . ?
C22C H22F 0.9800 . ?
C23C C24C 1.61(2) . ?
C23C H23C 0.9900 . ?
C23C H23D 0.9900 . ?
C24C H24D 0.9800 . ?
C24C H24E 0.9800 . ?
C24C H24F 0.9800 . ?
C25C C26C 1.61(2) . ?
C25C H25C 0.9900 . ?
C25C H25D 0.9900 . ?
C26C H26D 0.9800 . ?
C26C H26E 0.9800 . ?
C26C H26F 0.9800 . ?
P2A C35A 1.815(17) . ?
P2A C33A 1.815(17) . ?
P2A C31A 1.816(17) . ?
C31A C32A 1.46(2) . ?
C31A H31A 0.9900 . ?
C31A H31B 0.9900 . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C32A H32C 0.9800 . ?
C33A C34A 1.46(2) . ?
C33A H33A 0.9900 . ?
C33A H33B 0.9900 . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C34A H34C 0.9800 . ?
C35A C36A 1.46(2) . ?
C35A H35A 0.9900 . ?
C35A H35B 0.9900 . ?
C36A H36A 0.9800 . ?
C36A H36B 0.9800 . ?
C36A H36C 0.9800 . ?
P2A' C35C 1.815(17) . ?
P2A' C33C 1.815(17) . ?
P2A' C31C 1.815(17) . ?
C31C C32C 1.46(2) . ?
C31C H31E 0.9900 . ?
C31C H31F 0.9900 . ?
C32C H32D 0.9800 . ?
C32C H32E 0.9800 . ?
C32C H32F 0.9800 . ?
C33C C34C 1.46(2) . ?
C33C H33E 0.9900 . ?
C33C H33F 0.9900 . ?
C34C H34D 0.9800 . ?
C34C H34E 0.9800 . ?
C34C H34F 0.9800 . ?
C35C C36C 1.46(2) . ?
C35C H35E 0.9900 . ?
C35C H35F 0.9900 . ?
C36C H36D 0.9800 . ?
C36C H36E 0.9800 . ?
C36C H36F 0.9800 . ?
C41A C42A 1.35(2) . ?
C41A C46A 1.37(2) . ?
C42A C43A 1.40(3) . ?
C42A H42A 0.9500 . ?
C43A C44A 1.42(3) . ?
C43A H43A 0.9500 . ?
C44A C45A 1.36(3) . ?
C44A H44A 0.9500 . ?
C45A C46A 1.37(3) . ?
C45A H45A 0.9500 . ?
C46A H46A 0.9500 . ?
C51A C52A 1.30(3) . ?
C51A C56A 1.32(3) . ?
C52A C53A 1.44(4) . ?
C52A H52A 0.9500 . ?
C53A C54A 1.33(4) . ?
C53A H53A 0.9500 . ?
C54A C55A 1.33(4) . ?
C54A H54A 0.9500 . ?
C55A C56A 1.43(3) . ?
C55A H55A 0.9500 . ?
C56A H56A 0.9500 . ?
C61A C62A 1.36(2) . ?
C61A C66A 1.38(2) . ?
C62A C63A 1.35(2) . ?
C62A H62A 0.9500 . ?
C63A C64A 1.35(2) . ?
C63A H63A 0.9500 . ?
C64A C65A 1.36(2) . ?
C64A H64A 0.9500 . ?
C65A C66A 1.40(3) . ?
C65A H65A 0.9500 . ?
C66A H66A 0.9500 . ?
C71A C72A 1.37(3) . ?
C71A C76A 1.39(2) . ?
C72A C73A 1.46(3) . ?
C72A H72A 0.9500 . ?
C73A C74A 1.39(3) . ?
C73A H73A 0.9500 . ?
C74A C75A 1.29(3) . ?
C74A H74A 0.9500 . ?
C75A C76A 1.42(2) . ?
C75A H75A 0.9500 . ?
C76A H76A 0.9500 . ?
Pt1B N5B 2.037(13) . ?
Pt1B N1B 2.073(13) . ?
Pt1B P2B 2.264(5) . ?
Pt1B P1B 2.266(5) . ?
Au1B C1B 2.022(15) . ?
Au1B P3B 2.291(4) . ?
Au1B Au2B 3.2124(9) . ?
Au2B C11B 2.026(16) . ?
Au2B P4B 2.279(4) . ?
P1B C25B 1.765(16) . ?
P1B C21B 1.789(19) . ?
P1B C23B 1.816(18) . ?
P2B C31B 1.79(2) . ?
P2B C35B 1.81(2) . ?
P2B C33B 1.82(2) . ?
P3B C41B 1.814(17) . ?
P3B C51B 1.833(15) . ?
P3B C19B 1.840(15) . ?
P4B C61B 1.815(16) . ?
P4B C71B 1.841(16) . ?
P4B C19B 1.850(16) . ?
O1B N4B 1.226(13) . ?
O2B N4B 1.225(13) . ?
N4B C6B 1.495(19) . ?
O1B' N4B' 1.224(13) . ?
O2B' N4B' 1.224(13) . ?
N4B' C6B 1.494(19) . ?
O3B N8B 1.23(2) . ?
O4B N8B 1.22(2) . ?
N1B C1B 1.322(18) . ?
N1B N2B 1.349(18) . ?
N2B N3B 1.27(2) . ?
N3B C2B 1.35(2) . ?
N5B C11B 1.33(2) . ?
N5B N6B 1.382(19) . ?
N6B N7B 1.28(2) . ?
N7B C12B 1.37(2) . ?
N8B C16B 1.43(3) . ?
C1B C2B 1.39(2) . ?
C2B C3B 1.48(2) . ?
C3B C8B 1.37(2) . ?
C3B C4B 1.42(2) . ?
C4B C5B 1.40(3) . ?
C4B H4BA 0.9500 . ?
C5B C6B 1.38(3) . ?
C5B H5BA 0.9500 . ?
C6B C7B 1.35(2) . ?
C7B C8B 1.44(2) . ?
C7B H7BA 0.9500 . ?
C8B H8BA 0.9500 . ?
C11B C12B 1.45(2) . ?
C12B C13B 1.43(2) . ?
C13B C18B 1.41(3) . ?
C13B C14B 1.42(3) . ?
C14B C15B 1.37(3) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.35(3) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.36(3) . ?
C17B C18B 1.38(3) . ?
C17B H17B 0.9500 . ?
C18B H18B 0.9500 . ?
C19B H19C 0.9900 . ?
C19B H19D 0.9900 . ?
C21B C22B 1.51(3) . ?
C21B H21E 0.9900 . ?
C21B H21F 0.9900 . ?
C22B H22G 0.9800 . ?
C22B H22H 0.9800 . ?
C22B H22I 0.9800 . ?
C23B C24B 1.54(3) . ?
C23B H23E 0.9900 . ?
C23B H23F 0.9900 . ?
C24B H24G 0.9800 . ?
C24B H24H 0.9800 . ?
C24B H24I 0.9800 . ?
C25B C26B 1.58(3) . ?
C25B H25E 0.9900 . ?
C25B H25F 0.9900 . ?
C26B H26G 0.9800 . ?
C26B H26H 0.9800 . ?
C26B H26I 0.9800 . ?
C31B C32B 1.51(3) . ?
C31B H31C 0.9900 . ?
C31B H31D 0.9900 . ?
C32B H32G 0.9800 . ?
C32B H32H 0.9800 . ?
C32B H32I 0.9800 . ?
C33B C34B 1.43(3) . ?
C33B H33C 0.9900 . ?
C33B H33D 0.9900 . ?
C34B H34G 0.9800 . ?
C34B H34H 0.9800 . ?
C34B H34I 0.9800 . ?
C35B C36B 1.53(3) . ?
C35B H35C 0.9900 . ?
C35B H35D 0.9900 . ?
C36B H36G 0.9800 . ?
C36B H36H 0.9800 . ?
C36B H36I 0.9800 . ?
C41B C42B 1.38(2) . ?
C41B C46B 1.41(2) . ?
C42B C43B 1.38(2) . ?
C42B H42B 0.9500 . ?
C43B C44B 1.37(2) . ?
C43B H43B 0.9500 . ?
C44B C45B 1.38(2) . ?
C44B H44B 0.9500 . ?
C45B C46B 1.34(2) . ?
C45B H45B 0.9500 . ?
C46B H46B 0.9500 . ?
C51B C52B 1.37(2) . ?
C51B C56B 1.38(2) . ?
C52B C53B 1.36(2) . ?
C52B H52B 0.9500 . ?
C53B C54B 1.37(3) . ?
C53B H53B 0.9500 . ?
C54B C55B 1.36(3) . ?
C54B H54B 0.9500 . ?
C55B C56B 1.41(2) . ?
C55B H55B 0.9500 . ?
C56B H56B 0.9500 . ?
C61B C62B 1.35(2) . ?
C61B C66B 1.38(2) . ?
C62B C63B 1.33(2) . ?
C62B H62B 0.9500 . ?
C63B C64B 1.38(2) . ?
C63B H63B 0.9500 . ?
C64B C65B 1.36(2) . ?
C64B H64B 0.9500 . ?
C65B C66B 1.38(2) . ?
C65B H65B 0.9500 . ?
C66B H66B 0.9500 . ?
C71B C72B 1.37(2) . ?
C71B C76B 1.39(3) . ?
C72B C73B 1.41(2) . ?
C72B H72B 0.9500 . ?
C73B C74B 1.38(2) . ?
C73B H73C 0.9500 . ?
C74B C75B 1.38(3) . ?
C74B H74B 0.9500 . ?
C75B C76B 1.33(2) . ?
C75B H75B 0.9500 . ?
C76B H76B 0.9500 . ?
C91 Cl1 1.66(4) 2_655 ?
C91 Cl1 1.66(4) . ?
C91 Cl1 1.66(4) 3_665 ?
C91 Cl1' 1.77(2) 3_665 ?
C91 Cl1' 1.77(2) . ?
C91 Cl1' 1.77(2) 2_655 ?
C95 Cl11 1.687(10) 3_665 ?
C95 Cl11 1.687(10) 16_655 ?
C95 Cl11 1.687(10) 18_545 ?
C95 Cl11 1.687(10) . ?
C95 Cl11 1.687(10) 17 ?
C95 Cl11 1.687(10) 2_655 ?
Cl11 Cl11 1.802(12) 17 ?
Cl11 Cl11 1.802(12) 18_545 ?
C92 Cl3 1.7757 . ?
C92 Cl2 1.7757 . ?
C92 Cl4 1.7765 . ?
C92 H92A 0.9999 . ?
Cl2 H92B 1.7344 . ?
C92' Cl3' 1.7084 . ?
C92' Cl2' 1.7468 . ?
C92' Cl4' 1.7727 . ?
C92' H92B 1.0000 . ?
Cl3' H92A 1.7906 . ?
C93 Cl6 1.7756 . ?
C93 Cl7 1.7767 . ?
C93 Cl5 1.7768 . ?
C93 H93A 1.0000 . ?
Cl6 H93B 1.7077 . ?
C93' Cl5' 1.7758 . ?
C93' Cl7' 1.7761 . ?
C93' Cl6' 1.7767 . ?
C93' H93B 1.0002 . ?
Cl7' H93A 1.2895 . ?
C94 Cl9 1.7760 . ?
C94 Cl10 1.7761 . ?
C94 Cl8 1.7765 . ?
C94 H94A 0.9999 . ?
C94" Cl9" 1.7110 . ?
C94" Cl0" 1.7643 . ?
C94" Cl8" 1.9367 . ?
C94" H94B 1.0000 . ?
C97 Cl14 1.7759 . ?
C97 Cl15 1.7761 . ?
C97 Cl13 1.7762 . ?
C97 H97 1.0000 . ?
C97 H97A 0.9600 . ?
C96 Cl17 1.7756 . ?
C96 Cl18 1.7759 . ?
C96 Cl16 1.7771 . ?
C96 H96A 1.0002 . ?
C98 Cl22 1.7761 . ?
C98 Cl21 1.7765 . ?
C98 Cl23 1.7769 . ?
C98 H98A 1.0000 . ?
Cl23 H30G 1.7707 . ?
C201 C202 1.5449 . ?
C201 H20A 0.9800 . ?
C201 H20B 0.9799 . ?
C201 H20C 0.9800 . ?
C202 C203 1.5516 . ?
C202 H20D 0.9899 . ?
C202 H20E 0.9902 . ?
C203 C204 1.5341 . ?
C203 H20F 0.9898 . ?
C203 H20G 0.9900 . ?
C204 C205 1.5431 . ?
C204 H20H 0.9900 . ?
C204 H20I 0.9897 . ?
C205 H20J 0.9797 . ?
C205 H20K 0.9803 . ?
C205 H20L 0.9798 . ?
C301 C302 1.5453 . ?
C301 H30A 0.9801 . ?
C301 H30B 0.9800 . ?
C301 H30C 0.9799 . ?
C302 C303 1.5516 . ?
C302 H30D 0.9897 . ?
C302 H30E 0.9899 . ?
C303 C304 1.5335 . ?
C303 H30F 0.9902 . ?
C303 H30G 0.9898 . ?
C304 C305 1.5430 . ?
C304 H30H 0.9901 . ?
C304 H30I 0.9899 . ?
C305 H30J 0.9801 . ?
C305 H30K 0.9801 . ?
C305 H30L 0.9798 . ?

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
N1A Pt1A N5A 84.7(6) . . ?
N1A Pt1A P2A 173.1(5) . . ?
N5A Pt1A P2A 92.7(5) . . ?
N1A Pt1A P1A 88.5(4) . . ?
N5A Pt1A P1A 172.1(4) . . ?
P2A Pt1A P1A 94.4(3) . . ?
N1A Pt1A P2A' 161.5(6) . . ?
N5A Pt1A P2A' 81.4(6) . . ?
P2A Pt1A P2A' 12.7(4) . . ?
P1A Pt1A P2A' 106.1(5) . . ?
C11A Au1A P4A 176.8(5) . . ?
C11A Au1A Au2A 90.1(5) . . ?
P4A Au1A Au2A 92.47(13) . . ?
C1A Au2A P3A 172.4(6) . . ?
C1A Au2A Au1A 107.0(5) . . ?
P3A Au2A Au1A 80.63(12) . . ?
C71A P3A C61A 105.1(8) . . ?
C71A P3A C19A 103.7(8) . . ?
C61A P3A C19A 107.5(8) . . ?
C71A P3A Au2A 110.8(6) . . ?
C61A P3A Au2A 115.2(5) . . ?
C19A P3A Au2A 113.6(6) . . ?
C19A P4A C51A 103.1(8) . . ?
C19A P4A C41A 107.7(8) . . ?
C51A P4A C41A 103.0(8) . . ?
C19A P4A Au1A 113.2(6) . . ?
C51A P4A Au1A 117.5(6) . . ?
C41A P4A Au1A 111.5(6) . . ?
O1A N4A O2A 120(3) . . ?
O1A N4A C6A 126(3) . . ?
O2A N4A C6A 113(2) . . ?
O1A' N4A' O2A' 112(4) . . ?
O1A' N4A' C6A 117(3) . . ?
O2A' N4A' C6A 131(4) . . ?
C1A N1A N2A 110.3(15) . . ?
C1A N1A Pt1A 131.5(12) . . ?
N2A N1A Pt1A 118.2(12) . . ?
N3A N2A N1A 108.8(15) . . ?
N2A N3A C2A 107.6(16) . . ?
N6A N5A C11A 108.9(14) . . ?
N6A N5A Pt1A 122.6(11) . . ?
C11A N5A Pt1A 127.7(11) . . ?
N7A N6A N5A 110.1(13) . . ?
N6A N7A C12A 108.3(15) . . ?
O4A N8A O3A 122.4(17) . . ?
O4A N8A C16A 119.1(16) . . ?
O3A N8A C16A 118.4(17) . . ?
N1A C1A C2A 105.0(15) . . ?
N1A C1A Au2A 123.5(14) . . ?
C2A C1A Au2A 131.6(14) . . ?
N3A C2A C1A 108.2(17) . . ?
N3A C2A C3A 118.0(17) . . ?
C1A C2A C3A 133.8(17) . . ?
C4A C3A C8A 116.9(19) . . ?
C4A C3A C2A 121.5(19) . . ?
C8A C3A C2A 121.5(17) . . ?
C5A C4A C3A 122(2) . . ?
C5A C4A H4AA 118.8 . . ?
C3A C4A H4AA 118.8 . . ?
C4A C5A C6A 116(2) . . ?
C4A C5A H5AA 122.1 . . ?
C6A C5A H5AA 122.1 . . ?
C7A C6A C5A 125(2) . . ?
C7A C6A N4A 127(2) . . ?
C5A C6A N4A 108(3) . . ?
C7A C6A N4A' 107(3) . . ?
C5A C6A N4A' 126(3) . . ?
N4A C6A N4A' 25(2) . . ?
C8A C7A C6A 117(2) . . ?
C8A C7A H7AA 121.5 . . ?
C6A C7A H7AA 121.5 . . ?
C7A C8A C3A 123(2) . . ?
C7A C8A H8AA 118.5 . . ?
C3A C8A H8AA 118.5 . . ?
N5A C11A C12A 105.8(13) . . ?
N5A C11A Au1A 120.3(12) . . ?
C12A C11A Au1A 133.8(12) . . ?
N7A C12A C11A 106.9(16) . . ?
N7A C12A C13A 118.9(16) . . ?
C11A C12A C13A 134.2(16) . . ?
C14A C13A C18A 118.4(17) . . ?
C14A C13A C12A 120.5(17) . . ?
C18A C13A C12A 121.0(17) . . ?
C15A C14A C13A 122.5(17) . . ?
C15A C14A H14A 118.8 . . ?
C13A C14A H14A 118.8 . . ?
C14A C15A C16A 119.0(17) . . ?
C14A C15A H15A 120.5 . . ?
C16A C15A H15A 120.5 . . ?
C17A C16A C15A 120.7(17) . . ?
C17A C16A N8A 119.4(17) . . ?
C15A C16A N8A 119.9(16) . . ?
C16A C17A C18A 119.1(17) . . ?
C16A C17A H17A 120.5 . . ?
C18A C17A H17A 120.5 . . ?
C17A C18A C13A 120.4(17) . . ?
C17A C18A H18A 119.8 . . ?
C13A C18A H18A 119.8 . . ?
P4A C19A P3A 108.8(8) . . ?
P4A C19A H19A 109.9 . . ?
P3A C19A H19A 109.9 . . ?
P4A C19A H19B 109.9 . . ?
P3A C19A H19B 109.9 . . ?
H19A C19A H19B 108.3 . . ?
C25C P1A C25A 17(2) . . ?
C25C P1A C23A 97(3) . . ?
C25A P1A C23A 106(3) . . ?
C25C P1A C21A 98(3) . . ?
C25A P1A C21A 81(3) . . ?
C23A P1A C21A 115(2) . . ?
C25C P1A C23C 105(2) . . ?
C25A P1A C23C 112(3) . . ?
C23A P1A C23C 10.0(19) . . ?
C21A P1A C23C 107.9(18) . . ?
C25C P1A C21C 116(2) . . ?
C25A P1A C21C 99(3) . . ?
C23A P1A C21C 109.1(19) . . ?
C21A P1A C21C 18(2) . . ?
C23C P1A C21C 99.9(15) . . ?
C25C P1A Pt1A 109.2(10) . . ?
C25A P1A Pt1A 116.9(13) . . ?
C23A P1A Pt1A 114(3) . . ?
C21A P1A Pt1A 118.5(16) . . ?
C23C P1A Pt1A 115.8(19) . . ?
C21C P1A Pt1A 110.7(14) . . ?
C22A C21A P1A 112.9(12) . . ?
C22A C21A H21A 109.0 . . ?
P1A C21A H21A 109.0 . . ?
C22A C21A H21B 109.0 . . ?
P1A C21A H21B 109.0 . . ?
H21A C21A H21B 107.8 . . ?
C21A C22A H22A 109.5 . . ?
C21A C22A H22B 109.5 . . ?
H22A C22A H22B 109.5 . . ?
C21A C22A H22C 109.5 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
C24A C23A P1A 112.9(12) . . ?
C24A C23A H23A 109.0 . . ?
P1A C23A H23A 109.0 . . ?
C24A C23A H23B 109.0 . . ?
P1A C23A H23B 109.0 . . ?
H23A C23A H23B 107.8 . . ?
C23A C24A H24A 109.5 . . ?
C23A C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C23A C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C26A C25A P1A 113.0(12) . . ?
C26A C25A H25A 109.0 . . ?
P1A C25A H25A 109.0 . . ?
C26A C25A H25B 109.0 . . ?
P1A C25A H25B 109.0 . . ?
H25A C25A H25B 107.8 . . ?
C25A C26A H26A 109.5 . . ?
C25A C26A H26B 109.5 . . ?
H26A C26A H26B 109.5 . . ?
C25A C26A H26C 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
C22C C21C P1A 112.9(12) . . ?
C22C C21C H21C 109.0 . . ?
P1A C21C H21C 109.0 . . ?
C22C C21C H21D 109.0 . . ?
P1A C21C H21D 109.0 . . ?
H21C C21C H21D 107.8 . . ?
C21C C22C H22D 109.5 . . ?
C21C C22C H22E 109.5 . . ?
H22D C22C H22E 109.5 . . ?
C21C C22C H22F 109.5 . . ?
H22D C22C H22F 109.5 . . ?
H22E C22C H22F 109.5 . . ?
C24C C23C P1A 112.9(12) . . ?
C24C C23C H23C 109.0 . . ?
P1A C23C H23C 109.0 . . ?
C24C C23C H23D 109.0 . . ?
P1A C23C H23D 109.0 . . ?
H23C C23C H23D 107.8 . . ?
C23C C24C H24D 109.5 . . ?
C23C C24C H24E 109.5 . . ?
H24D C24C H24E 109.5 . . ?
C23C C24C H24F 109.5 . . ?
H24D C24C H24F 109.5 . . ?
H24E C24C H24F 109.5 . . ?
C26C C25C P1A 113.1(12) . . ?
C26C C25C H25C 109.0 . . ?
P1A C25C H25C 109.0 . . ?
C26C C25C H25D 109.0 . . ?
P1A C25C H25D 109.0 . . ?
H25C C25C H25D 107.8 . . ?
C25C C26C H26D 109.5 . . ?
C25C C26C H26E 109.5 . . ?
H26D C26C H26E 109.5 . . ?
C25C C26C H26F 109.5 . . ?
H26D C26C H26F 109.5 . . ?
H26E C26C H26F 109.5 . . ?
C35A P2A C33A 103.6(17) . . ?
C35A P2A C31A 103.9(16) . . ?
C33A P2A C31A 105.1(14) . . ?
C35A P2A Pt1A 112.0(9) . . ?
C33A P2A Pt1A 108.5(12) . . ?
C31A P2A Pt1A 122.0(12) . . ?
C32A C31A P2A 117.8(14) . . ?
C32A C31A H31A 107.9 . . ?
P2A C31A H31A 107.9 . . ?
C32A C31A H31B 107.9 . . ?
P2A C31A H31B 107.9 . . ?
H31A C31A H31B 107.2 . . ?
C31A C32A H32A 109.5 . . ?
C31A C32A H32B 109.5 . . ?
H32A C32A H32B 109.5 . . ?
C31A C32A H32C 109.5 . . ?
H32A C32A H32C 109.5 . . ?
H32B C32A H32C 109.5 . . ?
C34A C33A P2A 118.0(14) . . ?
C34A C33A H33A 107.8 . . ?
P2A C33A H33A 107.8 . . ?
C34A C33A H33B 107.8 . . ?
P2A C33A H33B 107.8 . . ?
H33A C33A H33B 107.2 . . ?
C33A C34A H34A 109.5 . . ?
C33A C34A H34B 109.5 . . ?
H34A C34A H34B 109.5 . . ?
C33A C34A H34C 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
C36A C35A P2A 117.9(14) . . ?
C36A C35A H35A 107.8 . . ?
P2A C35A H35A 107.8 . . ?
C36A C35A H35B 107.8 . . ?
P2A C35A H35B 107.8 . . ?
H35A C35A H35B 107.2 . . ?
C35A C36A H36A 109.5 . . ?
C35A C36A H36B 109.5 . . ?
H36A C36A H36B 109.5 . . ?
C35A C36A H36C 109.5 . . ?
H36A C36A H36C 109.5 . . ?
H36B C36A H36C 109.5 . . ?
C35C P2A' C33C 106(2) . . ?
C35C P2A' C31C 109(3) . . ?
C33C P2A' C31C 97(3) . . ?
C35C P2A' Pt1A 113(3) . . ?
C33C P2A' Pt1A 113(2) . . ?
C31C P2A' Pt1A 118.3(16) . . ?
C32C C31C P2A' 117.9(14) . . ?
C32C C31C H31E 107.8 . . ?
P2A' C31C H31E 107.8 . . ?
C32C C31C H31F 107.8 . . ?
P2A' C31C H31F 107.8 . . ?
H31E C31C H31F 107.2 . . ?
C31C C32C H32D 109.5 . . ?
C31C C32C H32E 109.5 . . ?
H32D C32C H32E 109.5 . . ?
C31C C32C H32F 109.5 . . ?
H32D C32C H32F 109.5 . . ?
H32E C32C H32F 109.5 . . ?
C34C C33C P2A' 117.9(14) . . ?
C34C C33C H33E 107.8 . . ?
P2A' C33C H33E 107.8 . . ?
C34C C33C H33F 107.8 . . ?
P2A' C33C H33F 107.8 . . ?
H33E C33C H33F 107.2 . . ?
C33C C34C H34D 109.5 . . ?
C33C C34C H34E 109.5 . . ?
H34D C34C H34E 109.5 . . ?
C33C C34C H34F 109.5 . . ?
H34D C34C H34F 109.5 . . ?
H34E C34C H34F 109.5 . . ?
C36C C35C P2A' 117.9(14) . . ?
C36C C35C H35E 107.8 . . ?
P2A' C35C H35E 107.8 . . ?
C36C C35C H35F 107.8 . . ?
P2A' C35C H35F 107.8 . . ?
H35E C35C H35F 107.2 . . ?
C35C C36C H36D 109.5 . . ?
C35C C36C H36E 109.5 . . ?
H36D C36C H36E 109.5 . . ?
C35C C36C H36F 109.5 . . ?
H36D C36C H36F 109.5 . . ?
H36E C36C H36F 109.5 . . ?
C42A C41A C46A 122.0(18) . . ?
C42A C41A P4A 116.3(14) . . ?
C46A C41A P4A 121.2(14) . . ?
C41A C42A C43A 119.0(18) . . ?
C41A C42A H42A 120.5 . . ?
C43A C42A H42A 120.5 . . ?
C42A C43A C44A 118.5(18) . . ?
C42A C43A H43A 120.7 . . ?
C44A C43A H43A 120.7 . . ?
C45A C44A C43A 120.1(18) . . ?
C45A C44A H44A 120.0 . . ?
C43A C44A H44A 120.0 . . ?
C44A C45A C46A 120.0(19) . . ?
C44A C45A H45A 120.0 . . ?
C46A C45A H45A 120.0 . . ?
C41A C46A C45A 119.7(18) . . ?
C41A C46A H46A 120.1 . . ?
C45A C46A H46A 120.1 . . ?
C52A C51A C56A 122(2) . . ?
C52A C51A P4A 117.2(17) . . ?
C56A C51A P4A 120.5(17) . . ?
C51A C52A C53A 119(2) . . ?
C51A C52A H52A 120.5 . . ?
C53A C52A H52A 120.5 . . ?
C54A C53A C52A 119(3) . . ?
C54A C53A H53A 120.5 . . ?
C52A C53A H53A 120.5 . . ?
C55A C54A C53A 122(3) . . ?
C55A C54A H54A 119.0 . . ?
C53A C54A H54A 119.0 . . ?
C54A C55A C56A 117(2) . . ?
C54A C55A H55A 121.3 . . ?
C56A C55A H55A 121.3 . . ?
C51A C56A C55A 121(2) . . ?
C51A C56A H56A 119.7 . . ?
C55A C56A H56A 119.7 . . ?
C62A C61A C66A 118.2(16) . . ?
C62A C61A P3A 122.9(13) . . ?
C66A C61A P3A 119.0(13) . . ?
C63A C62A C61A 122.3(17) . . ?
C63A C62A H62A 118.8 . . ?
C61A C62A H62A 118.8 . . ?
C62A C63A C64A 119.9(18) . . ?
C62A C63A H63A 120.1 . . ?
C64A C63A H63A 120.1 . . ?
C63A C64A C65A 120.3(17) . . ?
C63A C64A H64A 119.8 . . ?
C65A C64A H64A 119.8 . . ?
C64A C65A C66A 119.7(17) . . ?
C64A C65A H65A 120.2 . . ?
C66A C65A H65A 120.2 . . ?
C61A C66A C65A 119.6(17) . . ?
C61A C66A H66A 120.2 . . ?
C65A C66A H66A 120.2 . . ?
C72A C71A C76A 117.7(18) . . ?
C72A C71A P3A 115.9(15) . . ?
C76A C71A P3A 126.3(14) . . ?
C71A C72A C73A 122.7(18) . . ?
C71A C72A H72A 118.6 . . ?
C73A C72A H72A 118.6 . . ?
C74A C73A C72A 114.3(19) . . ?
C74A C73A H73A 122.8 . . ?
C72A C73A H73A 122.8 . . ?
C75A C74A C73A 124(2) . . ?
C75A C74A H74A 117.8 . . ?
C73A C74A H74A 117.8 . . ?
C74A C75A C76A 120.8(19) . . ?
C74A C75A H75A 119.6 . . ?
C76A C75A H75A 119.6 . . ?
C71A C76A C75A 119.8(17) . . ?
C71A C76A H76A 120.1 . . ?
C75A C76A H76A 120.1 . . ?
N5B Pt1B N1B 85.4(5) . . ?
N5B Pt1B P2B 89.6(4) . . ?
N1B Pt1B P2B 171.0(4) . . ?
N5B Pt1B P1B 168.9(5) . . ?
N1B Pt1B P1B 89.1(4) . . ?
P2B Pt1B P1B 97.11(18) . . ?
C1B Au1B P3B 174.8(4) . . ?
C1B Au1B Au2B 82.8(4) . . ?
P3B Au1B Au2B 95.14(10) . . ?
C11B Au2B P4B 173.9(5) . . ?
C11B Au2B Au1B 112.2(5) . . ?
P4B Au2B Au1B 73.69(11) . . ?
C25B P1B C21B 106.6(9) . . ?
C25B P1B C23B 98.9(8) . . ?
C21B P1B C23B 101.4(9) . . ?
C25B P1B Pt1B 117.6(6) . . ?
C21B P1B Pt1B 110.1(7) . . ?
C23B P1B Pt1B 120.2(6) . . ?
C31B P2B C35B 103.4(10) . . ?
C31B P2B C33B 105.1(10) . . ?
C35B P2B C33B 105.7(10) . . ?
C31B P2B Pt1B 112.5(7) . . ?
C35B P2B Pt1B 111.9(7) . . ?
C33B P2B Pt1B 117.1(6) . . ?
C41B P3B C51B 102.1(7) . . ?
C41B P3B C19B 106.0(8) . . ?
C51B P3B C19B 105.9(7) . . ?
C41B P3B Au1B 113.7(6) . . ?
C51B P3B Au1B 118.4(5) . . ?
C19B P3B Au1B 109.8(6) . . ?
C61B P4B C71B 102.7(8) . . ?
C61B P4B C19B 105.3(7) . . ?
C71B P4B C19B 105.4(8) . . ?
C61B P4B Au2B 111.0(5) . . ?
C71B P4B Au2B 113.8(7) . . ?
C19B P4B Au2B 117.2(6) . . ?
O2B N4B O1B 120(2) . . ?
O2B N4B C6B 123(2) . . ?
O1B N4B C6B 117.7(19) . . ?
O1B' N4B' O2B' 131(2) . . ?
O1B' N4B' C6B 125(2) . . ?
O2B' N4B' C6B 104(2) . . ?
C1B N1B N2B 113.1(13) . . ?
C1B N1B Pt1B 124.6(10) . . ?
N2B N1B Pt1B 122.1(10) . . ?
N3B N2B N1B 106.8(14) . . ?
N2B N3B C2B 109.2(16) . . ?
C11B N5B N6B 110.3(14) . . ?
C11B N5B Pt1B 131.8(12) . . ?
N6B N5B Pt1B 117.6(11) . . ?
N7B N6B N5B 107.6(14) . . ?
N6B N7B C12B 111.8(15) . . ?
O4B N8B O3B 119.3(19) . . ?
O4B N8B C16B 119(2) . . ?
O3B N8B C16B 122(2) . . ?
N1B C1B C2B 101.8(13) . . ?
N1B C1B Au1B 126.4(11) . . ?
C2B C1B Au1B 131.1(11) . . ?
N3B C2B C1B 109.1(15) . . ?
N3B C2B C3B 120.1(16) . . ?
C1B C2B C3B 130.7(14) . . ?
C8B C3B C4B 118.9(17) . . ?
C8B C3B C2B 121.0(16) . . ?
C4B C3B C2B 120.1(16) . . ?
C5B C4B C3B 120.9(18) . . ?
C5B C4B H4BA 119.5 . . ?
C3B C4B H4BA 119.5 . . ?
C6B C5B C4B 117.6(17) . . ?
C6B C5B H5BA 121.2 . . ?
C4B C5B H5BA 121.2 . . ?
C7B C6B C5B 123.4(16) . . ?
C7B C6B N4B' 131(2) . . ?
C5B C6B N4B' 105.1(19) . . ?
C7B C6B N4B 112.0(19) . . ?
C5B C6B N4B 124.6(18) . . ?
N4B' C6B N4B 20.4(12) . . ?
C6B C7B C8B 118.6(17) . . ?
C6B C7B H7BA 120.7 . . ?
C8B C7B H7BA 120.7 . . ?
C3B C8B C7B 120.4(16) . . ?
C3B C8B H8BA 119.8 . . ?
C7B C8B H8BA 119.8 . . ?
N5B C11B C12B 105.2(14) . . ?
N5B C11B Au2B 123.8(13) . . ?
C12B C11B Au2B 131.0(13) . . ?
N7B C12B C13B 122.0(16) . . ?
N7B C12B C11B 105.1(15) . . ?
C13B C12B C11B 132.9(16) . . ?
C18B C13B C14B 115.3(18) . . ?
C18B C13B C12B 123.5(18) . . ?
C14B C13B C12B 121.0(18) . . ?
C15B C14B C13B 119(2) . . ?
C15B C14B H14B 120.5 . . ?
C13B C14B H14B 120.5 . . ?
C16B C15B C14B 123(2) . . ?
C16B C15B H15B 118.4 . . ?
C14B C15B H15B 118.4 . . ?
C15B C16B C17B 120(2) . . ?
C15B C16B N8B 118(2) . . ?
C17B C16B N8B 121(2) . . ?
C16B C17B C18B 118(2) . . ?
C16B C17B H17B 121.0 . . ?
C18B C17B H17B 121.0 . . ?
C17B C18B C13B 124(2) . . ?
C17B C18B H18B 118.2 . . ?
C13B C18B H18B 118.2 . . ?
P3B C19B P4B 109.2(8) . . ?
P3B C19B H19C 109.8 . . ?
P4B C19B H19C 109.8 . . ?
P3B C19B H19D 109.8 . . ?
P4B C19B H19D 109.8 . . ?
H19C C19B H19D 108.3 . . ?
C22B C21B P1B 116.3(14) . . ?
C22B C21B H21E 108.2 . . ?
P1B C21B H21E 108.2 . . ?
C22B C21B H21F 108.2 . . ?
P1B C21B H21F 108.2 . . ?
H21E C21B H21F 107.4 . . ?
C21B C22B H22G 109.5 . . ?
C21B C22B H22H 109.5 . . ?
H22G C22B H22H 109.5 . . ?
C21B C22B H22I 109.5 . . ?
H22G C22B H22I 109.5 . . ?
H22H C22B H22I 109.5 . . ?
C24B C23B P1B 113.4(13) . . ?
C24B C23B H23E 108.9 . . ?
P1B C23B H23E 108.9 . . ?
C24B C23B H23F 108.9 . . ?
P1B C23B H23F 108.9 . . ?
H23E C23B H23F 107.7 . . ?
C23B C24B H24G 109.5 . . ?
C23B C24B H24H 109.5 . . ?
H24G C24B H24H 109.5 . . ?
C23B C24B H24I 109.5 . . ?
H24G C24B H24I 109.5 . . ?
H24H C24B H24I 109.5 . . ?
C26B C25B P1B 116.2(14) . . ?
C26B C25B H25E 108.2 . . ?
P1B C25B H25E 108.2 . . ?
C26B C25B H25F 108.2 . . ?
P1B C25B H25F 108.2 . . ?
H25E C25B H25F 107.4 . . ?
C25B C26B H26G 109.5 . . ?
C25B C26B H26H 109.5 . . ?
H26G C26B H26H 109.5 . . ?
C25B C26B H26I 109.5 . . ?
H26G C26B H26I 109.5 . . ?
H26H C26B H26I 109.5 . . ?
C32B C31B P2B 112.3(16) . . ?
C32B C31B H31C 109.1 . . ?
P2B C31B H31C 109.1 . . ?
C32B C31B H31D 109.1 . . ?
P2B C31B H31D 109.1 . . ?
H31C C31B H31D 107.9 . . ?
C31B C32B H32G 109.5 . . ?
C31B C32B H32H 109.5 . . ?
H32G C32B H32H 109.5 . . ?
C31B C32B H32I 109.5 . . ?
H32G C32B H32I 109.5 . . ?
H32H C32B H32I 109.5 . . ?
C34B C33B P2B 114.7(16) . . ?
C34B C33B H33C 108.6 . . ?
P2B C33B H33C 108.6 . . ?
C34B C33B H33D 108.6 . . ?
P2B C33B H33D 108.6 . . ?
H33C C33B H33D 107.6 . . ?
C33B C34B H34G 109.5 . . ?
C33B C34B H34H 109.5 . . ?
H34G C34B H34H 109.5 . . ?
C33B C34B H34I 109.5 . . ?
H34G C34B H34I 109.5 . . ?
H34H C34B H34I 109.5 . . ?
C36B C35B P2B 114.6(16) . . ?
C36B C35B H35C 108.6 . . ?
P2B C35B H35C 108.6 . . ?
C36B C35B H35D 108.6 . . ?
P2B C35B H35D 108.6 . . ?
H35C C35B H35D 107.6 . . ?
C35B C36B H36G 109.5 . . ?
C35B C36B H36H 109.5 . . ?
H36G C36B H36H 109.5 . . ?
C35B C36B H36I 109.5 . . ?
H36G C36B H36I 109.5 . . ?
H36H C36B H36I 109.5 . . ?
C42B C41B C46B 118.0(16) . . ?
C42B C41B P3B 119.8(13) . . ?
C46B C41B P3B 122.0(13) . . ?
C43B C42B C41B 119.1(16) . . ?
C43B C42B H42B 120.4 . . ?
C41B C42B H42B 120.4 . . ?
C44B C43B C42B 121.7(17) . . ?
C44B C43B H43B 119.2 . . ?
C42B C43B H43B 119.2 . . ?
C43B C44B C45B 118.9(17) . . ?
C43B C44B H44B 120.5 . . ?
C45B C44B H44B 120.5 . . ?
C46B C45B C44B 120.7(17) . . ?
C46B C45B H45B 119.7 . . ?
C44B C45B H45B 119.7 . . ?
C45B C46B C41B 121.4(16) . . ?
C45B C46B H46B 119.3 . . ?
C41B C46B H46B 119.3 . . ?
C52B C51B C56B 120.1(15) . . ?
C52B C51B P3B 116.9(13) . . ?
C56B C51B P3B 123.0(13) . . ?
C53B C52B C51B 120.6(17) . . ?
C53B C52B H52B 119.7 . . ?
C51B C52B H52B 119.7 . . ?
C52B C53B C54B 119.7(18) . . ?
C52B C53B H53B 120.1 . . ?
C54B C53B H53B 120.1 . . ?
C55B C54B C53B 121.9(18) . . ?
C55B C54B H54B 119.0 . . ?
C53B C54B H54B 119.0 . . ?
C54B C55B C56B 117.8(19) . . ?
C54B C55B H55B 121.1 . . ?
C56B C55B H55B 121.1 . . ?
C51B C56B C55B 119.8(17) . . ?
C51B C56B H56B 120.1 . . ?
C55B C56B H56B 120.1 . . ?
C62B C61B C66B 116.9(15) . . ?
C62B C61B P4B 124.9(12) . . ?
C66B C61B P4B 117.5(12) . . ?
C63B C62B C61B 122.4(16) . . ?
C63B C62B H62B 118.8 . . ?
C61B C62B H62B 118.8 . . ?
C62B C63B C64B 121.9(17) . . ?
C62B C63B H63B 119.1 . . ?
C64B C63B H63B 119.1 . . ?
C65B C64B C63B 117.5(16) . . ?
C65B C64B H64B 121.3 . . ?
C63B C64B H64B 121.3 . . ?
C64B C65B C66B 120.3(16) . . ?
C64B C65B H65B 119.9 . . ?
C66B C65B H65B 119.9 . . ?
C61B C66B C65B 120.8(16) . . ?
C61B C66B H66B 119.6 . . ?
C65B C66B H66B 119.6 . . ?
C72B C71B C76B 120.4(16) . . ?
C72B C71B P4B 119.3(16) . . ?
C76B C71B P4B 120.1(14) . . ?
C71B C72B C73B 119.9(18) . . ?
C71B C72B H72B 120.0 . . ?
C73B C72B H72B 120.0 . . ?
C74B C73B C72B 118.2(17) . . ?
C74B C73B H73C 120.9 . . ?
C72B C73B H73C 120.9 . . ?
C73B C74B C75B 120.1(16) . . ?
C73B C74B H74B 119.9 . . ?
C75B C74B H74B 119.9 . . ?
C76B C75B C74B 121.5(19) . . ?
C76B C75B H75B 119.3 . . ?
C74B C75B H75B 119.3 . . ?
C75B C76B C71B 119.8(18) . . ?
C75B C76B H76B 120.1 . . ?
C71B C76B H76B 120.1 . . ?
Cl1 C91 Cl1 113.2(19) 2_655 . ?
Cl1 C91 Cl1 113.2(19) 2_655 3_665 ?
Cl1 C91 Cl1 113.2(19) . 3_665 ?
Cl1 C91 Cl1' 107(2) 2_655 3_665 ?
Cl1 C91 Cl1' 117(2) . 3_665 ?
Cl1 C91 Cl1' 5.9(18) 3_665 3_665 ?
Cl1 C91 Cl1' 117(2) 2_655 . ?
Cl1 C91 Cl1' 5.9(18) . . ?
Cl1 C91 Cl1' 107(2) 3_665 . ?
Cl1' C91 Cl1' 110.8(14) 3_665 . ?
Cl1 C91 Cl1' 5.9(18) 2_655 2_655 ?
Cl1 C91 Cl1' 107(2) . 2_655 ?
Cl1 C91 Cl1' 117(2) 3_665 2_655 ?
Cl1' C91 Cl1' 110.7(14) 3_665 2_655 ?
Cl1' C91 Cl1' 110.7(14) . 2_655 ?
Cl11 C95 Cl11 64.5(2) 3_665 16_655 ?
Cl11 C95 Cl11 179.993(4) 3_665 18_545 ?
Cl11 C95 Cl11 115.5(2) 16_655 18_545 ?
Cl11 C95 Cl11 115.5(2) 3_665 . ?
Cl11 C95 Cl11 179.999(1) 16_655 . ?
Cl11 C95 Cl11 64.5(2) 18_545 . ?
Cl11 C95 Cl11 64.5(2) 3_665 17 ?
Cl11 C95 Cl11 115.5(2) 16_655 17 ?
Cl11 C95 Cl11 115.5(2) 18_545 17 ?
Cl11 C95 Cl11 64.5(2) . 17 ?
Cl11 C95 Cl11 115.5(2) 3_665 2_655 ?
Cl11 C95 Cl11 64.5(2) 16_655 2_655 ?
Cl11 C95 Cl11 64.5(2) 18_545 2_655 ?
Cl11 C95 Cl11 115.5(2) . 2_655 ?
Cl11 C95 Cl11 179.995(2) 17 2_655 ?
C95 Cl11 Cl11 57.74(11) . 17 ?
C95 Cl11 Cl11 57.74(11) . 18_545 ?
Cl11 Cl11 Cl11 104.7(7) 17 18_545 ?
Cl3 C92 Cl2 111.2 . . ?
Cl3 C92 Cl4 111.2 . . ?
Cl2 C92 Cl4 111.2 . . ?
Cl3' C92' Cl2' 116.1 . . ?
Cl3' C92' Cl4' 114.7 . . ?
Cl2' C92' Cl4' 112.8 . . ?
Cl3' C92' H92B 103.7 . . ?
Cl2' C92' H92B 103.7 . . ?
Cl4' C92' H92B 103.7 . . ?
C92' Cl3' H92A 74.4 . . ?
Cl6 C93 Cl7 111.2 . . ?
Cl6 C93 Cl5 111.2 . . ?
Cl7 C93 Cl5 111.2 . . ?
Cl5' C93' Cl7' 111.2 . . ?
Cl5' C93' Cl6' 111.2 . . ?
Cl7' C93' Cl6' 111.2 . . ?
Cl5' C93' H93B 107.7 . . ?
Cl7' C93' H93B 107.7 . . ?
Cl6' C93' H93B 107.7 . . ?
C93' Cl7' H93A 82.9 . . ?
Cl9 C94 Cl10 111.2 . . ?
Cl9 C94 Cl8 111.2 . . ?
Cl10 C94 Cl8 111.2 . . ?
Cl9" C94" Cl0" 115.0 . . ?
Cl9" C94" Cl8" 106.8 . . ?
Cl0" C94" Cl8" 104.6 . . ?
Cl14 C97 Cl15 111.2 . . ?
Cl14 C97 Cl13 111.2 . . ?
Cl15 C97 Cl13 111.2 . . ?
Cl14 C97 H97 107.7 . . ?
Cl15 C97 H97 107.7 . . ?
Cl13 C97 H97 107.7 . . ?
Cl17 C96 Cl18 111.2 . . ?
Cl17 C96 Cl16 111.2 . . ?
Cl18 C96 Cl16 111.2 . . ?
Cl22 C98 Cl21 111.2 . . ?
Cl22 C98 Cl23 111.2 . . ?
Cl21 C98 Cl23 111.2 . . ?
C201 C202 C203 98.4 . . ?
C204 C203 C202 98.8 . . ?
C203 C204 C205 99.4 . . ?
C301 C302 C303 98.4 . . ?
C304 C303 C302 98.8 . . ?
C303 C304 C305 99.4 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         3.934
_refine_diff_density_min         -1.762
_refine_diff_density_rms         0.272

_database_code_depnum_ccdc_archive 'CCDC 931005'