#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/37/7023784.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7023784
loop_
_publ_author_name
'Powers, Andrew R.'
'Yang, Xi'
'Del Castillo, Trevor J.'
'Ghiviriga, Ion'
'Abboud, Khalil A.'
'Veige, Adam S.'
_publ_section_title
;
 Inorganic click (iClick) synthesis of heterotrinuclear Pt(II)/Au(I)2
 complexes.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14963
_journal_page_last               14966
_journal_paper_doi               10.1039/c3dt52105b
_journal_volume                  42
_journal_year                    2013
_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 H114.8 Au4 Cl0.56 N16 O8 P8 Pt2'
_chemical_formula_weight         3250.49
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-03-06 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   42.079(3)
_cell_length_b                   42.079(3)
_cell_length_c                   39.683(3)
_cell_measurement_reflns_used    9844
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.93
_cell_measurement_theta_min      2.28
_cell_volume                     60851(8)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2 (Bruker, 2008)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2008)'
_computing_molecular_graphics    'Olex2 v1.2.2'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II DUO'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Bruker Triumph'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1842
_diffrn_reflns_av_sigmaI/netI    0.0730
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            23814
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.52
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.543
_exptl_absorpt_correction_T_max  0.5844
_exptl_absorpt_correction_T_min  0.4589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'multiscan (SADABS, Blessing 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       squares
_exptl_crystal_F_000             28084
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         3.934
_refine_diff_density_min         -1.762
_refine_diff_density_rms         0.272
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.365
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1328
_refine_ls_number_reflns         23814
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      1.361
_refine_ls_R_factor_all          0.1422
_refine_ls_R_factor_gt           0.0689
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1871
_refine_ls_wR_factor_ref         0.2306
_reflns_number_gt                13830
_reflns_number_total             23814
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c3dt52105b.txt
_cod_data_source_block           xy04
_cod_original_sg_symbol_H-M      R-3
_cod_original_formula_sum        'C111.33 H114.80 Au4 Cl0.56 N16 O8 P8 Pt2'
_cod_database_code               7023784
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'
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_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'
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
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 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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 .
