# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2014

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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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#  except for the purpose of generating routine backup copies
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data_shelxl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C134 H118 B2 N6 P4 Pt2 S2, C8 H3 S2 O6, 2.5(C3 H6 N O)'
_chemical_formula_sum            'C299 H277 B4 N17 O17 P8 Pt4 S4'
_chemical_formula_weight         2789.99

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0000 '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'
B B 0.0090 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorombic
_symmetry_space_group_name_H-M   'P c c n'

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

_cell_length_a                   26.739(3)
_cell_length_b                   47.581(3)
_cell_length_c                   26.660(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     33919(58)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.093
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             11368
_exptl_absorpt_coefficient_mu    4.008
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.00000
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         'Swiss Light Source'
_diffrn_radiation_monochromator  ?
_diffrn_measurement_device_type  'CCD camera'
_diffrn_measurement_method       rotation
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         none
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            146734
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.20
_diffrn_reflns_theta_max         28.85
_reflns_number_total             13392
_reflns_number_gt                11750
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.2150P)^2^+0.0000P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13392
_refine_ls_number_parameters     1564
_refine_ls_number_restraints     221
_refine_ls_R_factor_all          0.1335
_refine_ls_R_factor_gt           0.1285
_refine_ls_wR_factor_ref         0.4193
_refine_ls_wR_factor_gt          0.4147
_refine_ls_goodness_of_fit_ref   1.955
_refine_ls_restrained_S_all      1.949
_refine_ls_shift/su_max          0.044
_refine_ls_shift/su_mean         0.010

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 0.57297(4) 0.150835(14) 0.26471(3) 0.1291(6) Uani 1 1 d . . .
Pt2 Pt 0.50274(3) 0.173003(15) -0.15654(3) 0.1212(6) Uani 1 1 d . . .
C1 C 0.5702(7) 0.1904(4) 0.2370(5) 0.150(8) Uani 1 1 d D . .
C2 C 0.5724(7) 0.1939(4) 0.1844(6) 0.190(11) Uani 1 1 d D . .
H2 H 0.5755 0.1775 0.1642 0.227 Uiso 1 1 calc R . .
C3 C 0.5702(8) 0.2200(3) 0.1604(6) 0.156(8) Uani 1 1 d D . .
H3 H 0.5729 0.2214 0.1249 0.187 Uiso 1 1 calc R . .
C4 C 0.5637(7) 0.2441(4) 0.1902(5) 0.140(7) Uani 1 1 d D . .
C5 C 0.5639(8) 0.2422(3) 0.2421(6) 0.145(7) Uani 1 1 d D . .
H5 H 0.5628 0.2587 0.2620 0.174 Uiso 1 1 calc R . .
C6 C 0.5656(7) 0.2158(3) 0.2650(8) 0.161(8) Uani 1 1 d D . .
H6 H 0.5636 0.2147 0.3005 0.194 Uiso 1 1 calc R . .
C7 C 0.5562(8) 0.2688(4) 0.1646(6) 0.140(7) Uani 1 1 d . . .
C8 C 0.5492(8) 0.2885(5) 0.1333(7) 0.152(7) Uani 1 1 d . . .
B1 B 0.5318(10) 0.3083(5) 0.0830(8) 0.146(8) Uani 1 1 d D . .
C9 C 0.5304(8) 0.2861(3) 0.0416(6) 0.122(6) Uani 1 1 d . . .
C10 C 0.5311(7) 0.2698(4) 0.0064(9) 0.144(8) Uani 1 1 d . . .
C11 C 0.5267(6) 0.2464(3) -0.0328(5) 0.114(4) Uani 1 1 d D . .
C12 C 0.5290(5) 0.2521(3) -0.0838(5) 0.123(5) Uani 1 1 d D . .
H12 H 0.5346 0.2708 -0.0951 0.148 Uiso 1 1 calc R . .
C13 C 0.5233(6) 0.2308(3) -0.1178(5) 0.111(4) Uani 1 1 d D . .
H13 H 0.5250 0.2355 -0.1523 0.133 Uiso 1 1 calc R . .
C14 C 0.5153(6) 0.2028(3) -0.1060(5) 0.103(4) Uani 1 1 d D . .
C15 C 0.5146(7) 0.1986(3) -0.0539(5) 0.126(5) Uani 1 1 d D . .
H15 H 0.5101 0.1798 -0.0427 0.151 Uiso 1 1 calc R . .
C16 C 0.5197(7) 0.2189(3) -0.0174(5) 0.129(5) Uani 1 1 d D . .
H16 H 0.5186 0.2142 0.0172 0.154 Uiso 1 1 calc R . .
N1 N 0.4849(6) 0.1387(3) -0.2083(5) 0.133(4) Uani 1 1 d D . .
C17 C 0.4948(6) 0.1131(3) -0.1927(7) 0.140(7) Uani 1 1 d D . .
H17 H 0.5067 0.1100 -0.1595 0.168 Uiso 1 1 calc R . .
C18 C 0.4877(7) 0.0906(4) -0.2251(6) 0.155(8) Uani 1 1 d D . .
H18 H 0.4949 0.0721 -0.2143 0.186 Uiso 1 1 calc R . .
C19 C 0.4697(7) 0.0953(3) -0.2740(6) 0.132(6) Uani 1 1 d D . .
C20 C 0.4620(8) 0.1230(4) -0.2873(6) 0.155(7) Uani 1 1 d D . .
H20 H 0.4524 0.1274 -0.3208 0.186 Uiso 1 1 calc R . .
C21 C 0.4681(8) 0.1448(4) -0.2527(7) 0.143(7) Uani 1 1 d D . .
H21 H 0.4600 0.1636 -0.2614 0.171 Uiso 1 1 calc R . .
C22 C 0.4640(9) 0.0703(4) -0.3078(8) 0.159(8) Uani 1 1 d . . .
C23 C 0.4622(9) 0.0525(4) -0.3344(8) 0.154(7) Uani 1 1 d . . .
B2 B 0.4620(13) 0.0274(7) -0.3781(14) 0.200(14) Uani 1 1 d D . .
N2 N 0.5762(5) 0.1083(3) 0.2919(7) 0.138(5) Uani 1 1 d D . .
C24 C 0.5797(6) 0.1015(3) 0.3410(6) 0.139(7) Uani 1 1 d D . .
H24 H 0.5829 0.1158 0.3656 0.167 Uiso 1 1 calc R . .
C25 C 0.5786(7) 0.0730(3) 0.3552(6) 0.146(7) Uani 1 1 d D . .
H25 H 0.5834 0.0682 0.3894 0.175 Uiso 1 1 calc R . .
C26 C 0.5709(7) 0.0525(4) 0.3214(7) 0.142(6) Uani 1 1 d D . .
C27 C 0.5693(7) 0.0609(4) 0.2715(8) 0.147(7) Uani 1 1 d D . .
H27 H 0.5652 0.0468 0.2464 0.176 Uiso 1 1 calc R . .
C28 C 0.5733(7) 0.0886(3) 0.2563(7) 0.135(7) Uani 1 1 d D . .
H28 H 0.5739 0.0935 0.2218 0.163 Uiso 1 1 calc R . .
C29 C 0.5618(10) 0.0233(5) 0.3386(6) 0.172(9) Uani 1 1 d . . .
C30 C 0.5517(11) -0.0004(4) 0.3541(6) 0.181(11) Uani 1 1 d . . .
N3 N 0.4811(10) 0.3198(4) 0.0891(5) 0.137(5) Uani 1 1 d D . .
N4 N 0.5694(10) 0.3306(3) 0.0759(6) 0.140(6) Uani 1 1 d D . .
C31 C 0.4384(15) 0.3058(6) 0.1002(8) 0.161(8) Uani 1 1 d D . .
C32 C 0.3988(14) 0.3258(8) 0.1063(10) 0.203(12) Uani 1 1 d D . .
C33 C 0.4162(16) 0.3518(6) 0.0906(8) 0.177(11) Uani 1 1 d D . .
C34 C 0.4668(15) 0.3481(5) 0.0827(6) 0.157(9) Uani 1 1 d D . .
C35 C 0.5027(15) 0.3709(8) 0.0695(10) 0.25(2) Uani 1 1 d D . .
C36 C 0.5533(15) 0.3579(6) 0.0663(10) 0.187(11) Uani 1 1 d D . .
C37 C 0.5968(14) 0.3728(8) 0.057(2) 0.31(2) Uiso 1 1 d D . .
C38 C 0.6365(13) 0.3535(7) 0.0544(11) 0.226(18) Uani 1 1 d D . .
C39 C 0.6167(15) 0.3273(6) 0.0675(8) 0.167(9) Uani 1 1 d D . .
C40 C 0.4340(10) 0.2751(6) 0.1053(8) 0.189(9) Uani 1 1 d . . .
H40A H 0.4643 0.2676 0.1211 0.227 Uiso 1 1 calc R . .
H40B H 0.4298 0.2666 0.0721 0.227 Uiso 1 1 calc R . .
H40C H 0.4049 0.2706 0.1262 0.227 Uiso 1 1 calc R . .
C41 C 0.3474(19) 0.3243(6) 0.1242(16) 0.249(18) Uani 1 1 d . . .
H41A H 0.3307 0.3421 0.1149 0.299 Uiso 1 1 calc R . .
H41B H 0.3303 0.3091 0.1055 0.299 Uiso 1 1 calc R . .
C42 C 0.3392(15) 0.3199(11) 0.1738(10) 0.35(3) Uani 1 1 d . . .
H42A H 0.3389 0.2997 0.1807 0.417 Uiso 1 1 calc R . .
H42B H 0.3069 0.3281 0.1834 0.417 Uiso 1 1 calc R . .
H42C H 0.3659 0.3288 0.1933 0.417 Uiso 1 1 calc R . .
C43 C 0.3917(12) 0.3817(5) 0.0908(11) 0.220(12) Uani 1 1 d . . .
H43A H 0.4140 0.3951 0.0741 0.264 Uiso 1 1 calc R . .
H43B H 0.3861 0.3877 0.1255 0.264 Uiso 1 1 calc R . .
H43C H 0.3596 0.3810 0.0731 0.264 Uiso 1 1 calc R . .
C44 C 0.505(3) 0.4012(6) 0.0636(19) 0.46(5) Uani 1 1 d . . .
H44A H 0.5371 0.4081 0.0750 0.556 Uiso 1 1 calc R . .
H44B H 0.4780 0.4098 0.0836 0.556 Uiso 1 1 calc R . .
H44C H 0.4999 0.4060 0.0282 0.556 Uiso 1 1 calc R . .
C45 C 0.6155(19) 0.4033(9) 0.049(2) 0.39(3) Uiso 1 1 d D . .
H45A H 0.6024 0.4107 0.0178 0.464 Uiso 1 1 calc R . .
H45B H 0.6522 0.4034 0.0484 0.464 Uiso 1 1 calc R . .
H45C H 0.6039 0.4150 0.0774 0.464 Uiso 1 1 calc R . .
C46 C 0.670(3) 0.3624(7) 0.045(3) 0.59(9) Uani 1 1 d . . .
H46A H 0.6590 0.3801 0.0287 0.703 Uiso 1 1 calc R . .
H46B H 0.6804 0.3502 0.0165 0.703 Uiso 1 1 calc R . .
C47 C 0.709(3) 0.3692(18) 0.060(3) 0.47(4) Uiso 1 1 d . . .
H47A H 0.7103 0.3897 0.0614 0.561 Uiso 1 1 calc R . .
H47B H 0.7350 0.3620 0.0381 0.561 Uiso 1 1 calc R . .
H47C H 0.7130 0.3615 0.0940 0.561 Uiso 1 1 calc R . .
C48 C 0.6472(9) 0.3018(5) 0.0744(6) 0.158(7) Uani 1 1 d . . .
H48A H 0.6350 0.2914 0.1036 0.190 Uiso 1 1 calc R . .
H48B H 0.6822 0.3071 0.0797 0.190 Uiso 1 1 calc R . .
H48C H 0.6446 0.2900 0.0444 0.190 Uiso 1 1 calc R . .
N5 N 0.5106(16) 0.0272(4) -0.4039(7) 0.202(13) Uani 1 1 d D . .
N6 N 0.4259(15) 0.0367(4) -0.4238(12) 0.211(12) Uani 1 1 d . . .
C49 C 0.5563(15) 0.0218(7) -0.3847(13) 0.26(3) Uani 1 1 d D . .
C50 C 0.593(2) 0.0204(5) -0.421(2) 0.40(5) Uani 1 1 d D . .
H50 H 0.6281 0.0217 -0.4148 0.484 Uiso 1 1 calc R . .
C51 C 0.573(2) 0.017(2) -0.4695(17) 0.71(12) Uiso 1 1 d D . .
C52 C 0.528(2) 0.0299(6) -0.4580(11) 0.35(5) Uani 1 1 d D . .
C53 C 0.4864(14) 0.0375(5) -0.4876(14) 0.24(2) Uani 1 1 d D . .
C54 C 0.4368(14) 0.0400(4) -0.4716(10) 0.198(16) Uani 1 1 d D . .
C55 C 0.3925(15) 0.0500(9) -0.4925(10) 0.34(3) Uani 1 1 d D . .
C56 C 0.3542(13) 0.0477(6) -0.4574(13) 0.232(15) Uani 1 1 d D . .
H56 H 0.3198 0.0510 -0.4642 0.278 Uiso 1 1 calc R . .
C57 C 0.374(2) 0.0397(6) -0.4101(12) 0.216(16) Uani 1 1 d D . .
C58 C 0.5623(15) 0.0198(6) -0.3287(15) 0.252(16) Uani 1 1 d . . .
H58A H 0.5417 0.0342 -0.3125 0.302 Uiso 1 1 calc R . .
H58B H 0.5975 0.0227 -0.3198 0.302 Uiso 1 1 calc R . .
H58C H 0.5516 0.0011 -0.3174 0.302 Uiso 1 1 calc R . .
C59 C 0.5859(17) 0.0271(4) -0.5222(10) 0.30(2) Uani 1 1 d D . .
H59A H 0.5614 0.0198 -0.5462 0.363 Uiso 1 1 calc R . .
H59B H 0.6194 0.0205 -0.5314 0.363 Uiso 1 1 calc R . .
H59C H 0.5853 0.0477 -0.5230 0.363 Uiso 1 1 calc R . .
C60 C 0.4862(15) 0.0431(6) -0.5442(13) 0.258(17) Uani 1 1 d D . .
H60A H 0.4600 0.0568 -0.5522 0.310 Uiso 1 1 calc R . .
H60B H 0.4796 0.0256 -0.5622 0.310 Uiso 1 1 calc R . .
H60C H 0.5187 0.0506 -0.5544 0.310 Uiso 1 1 calc R . .
C61 C 0.365(3) 0.0572(8) -0.5426(18) 0.54(7) Uani 1 1 d D . .
H61A H 0.3901 0.0586 -0.5697 0.654 Uiso 1 1 calc R . .
H61B H 0.3478 0.0751 -0.5392 0.654 Uiso 1 1 calc R . .
H61C H 0.3414 0.0423 -0.5506 0.654 Uiso 1 1 calc R . .
C62 C 0.3468(16) 0.0413(6) -0.3622(16) 0.253(15) Uani 1 1 d . . .
H62A H 0.3377 0.0223 -0.3514 0.304 Uiso 1 1 calc R . .
H62B H 0.3165 0.0526 -0.3664 0.304 Uiso 1 1 calc R . .
H62C H 0.3684 0.0500 -0.3369 0.304 Uiso 1 1 calc R . .
P1 P 0.4883(3) 0.14706(10) 0.2476(2) 0.1406(19) Uani 1 1 d . . .
P2 P 0.6578(2) 0.15643(9) 0.2815(2) 0.1391(17) Uani 1 1 d . . .
C63 C 0.4461(10) 0.1660(3) 0.2844(6) 0.159(8) Uani 1 1 d D . .
C64 C 0.4638(8) 0.1849(4) 0.3219(5) 0.149(7) Uani 1 1 d D . .
H64 H 0.5028 0.1858 0.3258 0.179 Uiso 1 1 calc R . .
C65 C 0.4371(10) 0.2023(5) 0.3540(8) 0.181(11) Uani 1 1 d D . .
H65 H 0.4536 0.2160 0.3801 0.218 Uiso 1 1 calc R . .
C66 C 0.3862(11) 0.1993(4) 0.3474(9) 0.187(11) Uani 1 1 d D . .
H66 H 0.3620 0.2106 0.3710 0.225 Uiso 1 1 calc R . .
C67 C 0.3657(9) 0.1819(6) 0.3103(10) 0.184(9) Uani 1 1 d D . .
H67 H 0.3266 0.1810 0.3071 0.221 Uiso 1 1 calc R . .
C68 C 0.3945(10) 0.1653(5) 0.2770(8) 0.163(8) Uani 1 1 d D . .
H68 H 0.3780 0.1532 0.2485 0.195 Uiso 1 1 calc R . .
C69 C 0.4744(9) 0.1566(5) 0.1836(9) 0.185(10) Uani 1 1 d D . .
C70 C 0.4466(8) 0.1810(5) 0.1732(7) 0.173(9) Uani 1 1 d D . .
H70 H 0.4317 0.1920 0.2038 0.208 Uiso 1 1 calc R . .
C71 C 0.4371(11) 0.1918(7) 0.1244(10) 0.235(16) Uani 1 1 d D . .
H71 H 0.4165 0.2103 0.1183 0.282 Uiso 1 1 calc R . .
C72 C 0.4573(12) 0.1759(5) 0.0855(15) 0.27(2) Uani 1 1 d D . .
H72 H 0.4512 0.1820 0.0481 0.329 Uiso 1 1 calc R . .
C73 C 0.4857(11) 0.1519(6) 0.0963(7) 0.43(5) Uani 1 1 d D . .
H73 H 0.5022 0.1416 0.0656 0.518 Uiso 1 1 calc R . .
C74 C 0.4944(11) 0.1400(5) 0.1444(8) 0.219(15) Uani 1 1 d D . .
H74 H 0.5135 0.1210 0.1502 0.263 Uiso 1 1 calc R . .
C75 C 0.4613(8) 0.1103(3) 0.2588(9) 0.154(7) Uani 1 1 d D . .
C76 C 0.4476(9) 0.0936(4) 0.2179(9) 0.208(12) Uani 1 1 d D . .
H76 H 0.4522 0.1038 0.1832 0.250 Uiso 1 1 calc R . .
C77 C 0.4289(13) 0.0661(5) 0.2132(14) 0.30(3) Uani 1 1 d D . .
H77 H 0.4182 0.0547 0.1812 0.364 Uiso 1 1 calc R . .
C78 C 0.4290(11) 0.0584(6) 0.2641(13) 0.31(3) Uani 1 1 d D . .
H78 H 0.4197 0.0372 0.2701 0.377 Uiso 1 1 calc R . .
C79 C 0.4391(10) 0.0733(5) 0.3092(11) 0.27(2) Uani 1 1 d D . .
H79 H 0.4322 0.0640 0.3443 0.326 Uiso 1 1 calc R . .
C80 C 0.4587(8) 0.1010(4) 0.3056(9) 0.151(7) Uani 1 1 d D . .
H80 H 0.4700 0.1129 0.3368 0.181 Uiso 1 1 calc R . .
C81 C 0.6957(7) 0.1741(5) 0.2391(7) 0.172(9) Uani 1 1 d D . .
C82 C 0.7407(8) 0.1643(4) 0.2167(8) 0.231(14) Uani 1 1 d D . .
H82 H 0.7524 0.1437 0.2251 0.277 Uiso 1 1 calc R . .
C83 C 0.7707(9) 0.1804(4) 0.1837(8) 0.192(11) Uani 1 1 d D . .
H83 H 0.8039 0.1717 0.1693 0.230 Uiso 1 1 calc R . .
C84 C 0.7571(11) 0.2072(5) 0.1702(11) 0.214(12) Uani 1 1 d D . .
H84 H 0.7791 0.2189 0.1451 0.257 Uiso 1 1 calc R . .
C85 C 0.7136(12) 0.2184(5) 0.1906(9) 0.27(2) Uani 1 1 d D . .
H85 H 0.7018 0.2388 0.1812 0.318 Uiso 1 1 calc R . .
C86 C 0.6860(10) 0.2019(4) 0.2241(9) 0.184(9) Uani 1 1 d D . .
H86 H 0.6543 0.2114 0.2399 0.221 Uiso 1 1 calc R . .
C87 C 0.6671(9) 0.1731(3) 0.3412(8) 0.145(7) Uani 1 1 d D . .
C88 C 0.6265(7) 0.1755(3) 0.3745(6) 0.118(5) Uani 1 1 d D . .
H88 H 0.5909 0.1683 0.3638 0.142 Uiso 1 1 calc R . .
C89 C 0.6339(10) 0.1875(4) 0.4225(8) 0.183(9) Uani 1 1 d D . .
H89 H 0.6033 0.1896 0.4469 0.220 Uiso 1 1 calc R . .
C90 C 0.6812(10) 0.1967(4) 0.4381(7) 0.153(7) Uani 1 1 d D . .
H90 H 0.6881 0.2042 0.4745 0.183 Uiso 1 1 calc R . .
C91 C 0.7180(10) 0.1951(5) 0.4017(11) 0.206(11) Uani 1 1 d D . .
H91 H 0.7523 0.2048 0.4102 0.247 Uiso 1 1 calc R . .
C92 C 0.7148(9) 0.1820(5) 0.3549(10) 0.150(6) Uani 1 1 d D . .
H92 H 0.7461 0.1790 0.3317 0.180 Uiso 1 1 calc R . .
C93 C 0.6847(11) 0.1236(4) 0.2874(10) 0.169(8) Uani 1 1 d D . .
C94 C 0.7138(10) 0.1157(4) 0.3290(13) 0.28(2) Uani 1 1 d D . .
H94 H 0.7165 0.1290 0.3603 0.332 Uiso 1 1 calc R . .
C95 C 0.7394(15) 0.0897(7) 0.328(3) 0.82(15) Uani 1 1 d D . .
H95 H 0.7616 0.0840 0.3593 0.985 Uiso 1 1 calc R . .
C96 C 0.736(2) 0.0714(17) 0.2874(19) 0.35(3) Uiso 1 1 d D . .
H96 H 0.7545 0.0522 0.2903 0.422 Uiso 1 1 calc R . .
C97 C 0.7089(14) 0.0763(5) 0.2426(18) 0.30(3) Uani 1 1 d D . .
H97 H 0.7063 0.0632 0.2110 0.363 Uiso 1 1 calc R . .
C98 C 0.6865(11) 0.1028(4) 0.2499(11) 0.227(14) Uani 1 1 d D . .
H98 H 0.6651 0.1086 0.2186 0.273 Uiso 1 1 calc R . .
P3 P 0.5880(2) 0.16398(10) -0.16076(17) 0.1339(17) Uani 1 1 d . . .
P4 P 0.4191(2) 0.18562(12) -0.15260(19) 0.1381(17) Uani 1 1 d . . .
C99 C 0.6110(8) 0.1450(3) -0.1097(7) 0.132(6) Uani 1 1 d D . .
C100 C 0.5775(9) 0.1320(4) -0.0758(7) 0.167(9) Uani 1 1 d D . .
H100 H 0.5392 0.1343 -0.0830 0.200 Uiso 1 1 calc R . .
C101 C 0.5909(12) 0.1164(5) -0.0337(10) 0.220(17) Uani 1 1 d D . .
H101 H 0.5652 0.1070 -0.0092 0.264 Uiso 1 1 calc R . .
C102 C 0.6431(13) 0.1147(6) -0.0280(11) 0.29(3) Uani 1 1 d D . .
H102 H 0.6549 0.1038 0.0041 0.352 Uiso 1 1 calc R . .
C103 C 0.6818(10) 0.1251(6) -0.0579(10) 0.241(19) Uani 1 1 d D . .
H103 H 0.7200 0.1208 -0.0523 0.289 Uiso 1 1 calc R . .
C104 C 0.6623(10) 0.1421(4) -0.0968(10) 0.207(13) Uani 1 1 d D . .
H104 H 0.6882 0.1536 -0.1181 0.248 Uiso 1 1 calc R . .
C105 C 0.6292(8) 0.1950(5) -0.1617(9) 0.159(8) Uani 1 1 d D . .
C106 C 0.6520(8) 0.2045(5) -0.2063(11) 0.195(10) Uani 1 1 d D . .
H106 H 0.6461 0.1918 -0.2380 0.234 Uiso 1 1 calc R . .
C107 C 0.6810(11) 0.2281(6) -0.2140(16) 0.257(19) Uani 1 1 d D . .
H107 H 0.6974 0.2348 -0.2477 0.309 Uiso 1 1 calc R . .
C108 C 0.6835(11) 0.2412(8) -0.1671(14) 0.29(3) Uani 1 1 d D . .
H108 H 0.7055 0.2595 -0.1682 0.344 Uiso 1 1 calc R . .
C109 C 0.6643(7) 0.2361(3) -0.1191(12) 0.208(14) Uani 1 1 d D . .
H109 H 0.6713 0.2490 -0.0879 0.250 Uiso 1 1 calc R . .
C110 C 0.6338(8) 0.2110(4) -0.1177(12) 0.230(15) Uani 1 1 d D . .
H110 H 0.6156 0.2049 -0.0846 0.276 Uiso 1 1 calc R . .
C111 C 0.6054(7) 0.1444(3) -0.2161(7) 0.131(6) Uani 1 1 d D . .
C112 C 0.5898(9) 0.1513(5) -0.2633(9) 0.217(14) Uani 1 1 d D . .
H112 H 0.5695 0.1700 -0.2676 0.261 Uiso 1 1 calc R . .
C113 C 0.5986(10) 0.1352(6) -0.3064(9) 0.205(12) Uani 1 1 d D . .
H113 H 0.5834 0.1406 -0.3414 0.246 Uiso 1 1 calc R . .
C114 C 0.6284(16) 0.1116(7) -0.3002(11) 0.29(2) Uani 1 1 d D . .
H114 H 0.6413 0.1002 -0.3313 0.347 Uiso 1 1 calc R . .
C115 C 0.6407(14) 0.1036(7) -0.2518(10) 0.257(18) Uani 1 1 d D . .
H115 H 0.6604 0.0847 -0.2473 0.308 Uiso 1 1 calc R . .
C116 C 0.6292(10) 0.1186(4) -0.2089(11) 0.196(10) Uani 1 1 d D . .
H116 H 0.6379 0.1111 -0.1730 0.235 Uiso 1 1 calc R . .
C117 C 0.3781(8) 0.1546(5) -0.1665(9) 0.171(9) Uani 1 1 d D . .
C118 C 0.3395(10) 0.1584(5) -0.1998(9) 0.215(12) Uani 1 1 d D . .
H118 H 0.3362 0.1785 -0.2156 0.258 Uiso 1 1 calc R . .
C119 C 0.3045(15) 0.1389(6) -0.2148(10) 0.34(3) Uani 1 1 d D . .
H119 H 0.2749 0.1423 -0.2399 0.402 Uiso 1 1 calc R . .
C120 C 0.3159(13) 0.1137(7) -0.1902(16) 0.45(4) Uani 1 1 d D . .
H120 H 0.2927 0.0967 -0.1997 0.541 Uiso 1 1 calc R . .
C121 C 0.3535(11) 0.1074(4) -0.1549(9) 0.233(15) Uani 1 1 d D . .
H121 H 0.3570 0.0873 -0.1390 0.280 Uiso 1 1 calc R . .
C122 C 0.3856(10) 0.1293(4) -0.1421(8) 0.183(10) Uani 1 1 d D . .
H122 H 0.4141 0.1268 -0.1154 0.220 Uiso 1 1 calc R . .
C123 C 0.3979(7) 0.1978(5) -0.0912(6) 0.159(8) Uani 1 1 d D . .
C124 C 0.3958(7) 0.2266(5) -0.0799(8) 0.152(7) Uani 1 1 d D . .
H124 H 0.4068 0.2411 -0.1075 0.182 Uiso 1 1 calc R . .
C125 C 0.3799(9) 0.2367(7) -0.0340(8) 0.31(3) Uani 1 1 d D . .
H125 H 0.3777 0.2583 -0.0263 0.375 Uiso 1 1 calc R . .
C126 C 0.3669(9) 0.2163(7) 0.0014(8) 0.187(11) Uani 1 1 d D . .
H126 H 0.3566 0.2222 0.0379 0.224 Uiso 1 1 calc R . .
C127 C 0.3679(12) 0.1882(7) -0.0123(11) 0.33(4) Uani 1 1 d D . .
H127 H 0.3539 0.1739 0.0143 0.401 Uiso 1 1 calc R . .
C128 C 0.3850(11) 0.1767(5) -0.0568(7) 0.203(13) Uani 1 1 d D . .
H128 H 0.3880 0.1550 -0.0639 0.244 Uiso 1 1 calc R . .
C129 C 0.4050(8) 0.2129(4) -0.1963(6) 0.132(5) Uani 1 1 d D . .
C130 C 0.4439(8) 0.2218(4) -0.2279(6) 0.132(6) Uani 1 1 d D . .
H130 H 0.4800 0.2131 -0.2278 0.158 Uiso 1 1 calc R . .
C131 C 0.4288(9) 0.2437(4) -0.2597(7) 0.155(8) Uani 1 1 d D . .
H131 H 0.4560 0.2512 -0.2848 0.186 Uiso 1 1 calc R . .
C132 C 0.3825(10) 0.2567(5) -0.2622(8) 0.177(9) Uani 1 1 d D . .
H132 H 0.3766 0.2745 -0.2848 0.213 Uiso 1 1 calc R . .
C133 C 0.3440(10) 0.2451(4) -0.2331(9) 0.200(11) Uani 1 1 d D . .
H133 H 0.3063 0.2504 -0.2388 0.240 Uiso 1 1 calc R . .
C134 C 0.3582(8) 0.2262(4) -0.1966(6) 0.135(6) Uani 1 1 d D . .
H134 H 0.3328 0.2215 -0.1678 0.162 Uiso 1 1 calc R . .
S1 S 0.4541(5) 0.09301(15) -0.0340(3) 0.207(3) Uani 1 1 d D . .
S2 S 0.5760(5) 0.0599(2) 0.1149(4) 0.251(5) Uani 1 1 d D . .
O1 O 0.3975(9) 0.0879(4) -0.0284(8) 0.228(8) Uani 1 1 d D . .
O2 O 0.4723(8) 0.0908(3) -0.0865(5) 0.204(7) Uani 1 1 d D . .
O3 O 0.4686(11) 0.1209(4) -0.0105(6) 0.260(10) Uani 1 1 d D . .
O4 O 0.5702(8) 0.0906(4) 0.1216(9) 0.245(9) Uani 1 1 d D . .
O5 O 0.5546(13) 0.0433(4) 0.1577(8) 0.320(19) Uani 1 1 d D . .
O6 O 0.6267(10) 0.0490(7) 0.1007(16) 0.43(3) Uani 1 1 d D . .
C201 C 0.4813(8) 0.0632(4) -0.0029(8) 0.164(7) Uani 1 1 d D . .
C202 C 0.5109(8) 0.0701(5) 0.0384(8) 0.185(9) Uani 1 1 d D . .
H202 H 0.5128 0.0894 0.0473 0.222 Uiso 1 1 calc R . .
C203 C 0.5377(9) 0.0515(5) 0.0674(7) 0.202(12) Uani 1 1 d D . .
C204 C 0.5324(10) 0.0226(6) 0.0536(8) 0.175(8) Uani 1 1 d D . .
C205 C 0.5045(8) 0.0152(5) 0.0107(9) 0.164(8) Uani 1 1 d D . .
C206 C 0.4751(11) 0.0341(5) -0.0173(7) 0.207(11) Uani 1 1 d D . .
C207 C 0.5587(12) -0.0005(9) 0.0720(9) 0.28(2) Uani 1 1 d D . .
H207 H 0.5830 0.0039 0.0968 0.330 Uiso 1 1 calc R . .
C208 C 0.4447(11) 0.0302(6) -0.0600(8) 0.208(14) Uani 1 1 d D . .
H208 H 0.4288 0.0448 -0.0782 0.250 Uiso 1 1 calc R . .
ND1 N 0.4493(10) 0.1542(4) 0.4504(6) 0.183(8) Uani 1 1 d D . .
CD11 C 0.4237(9) 0.1779(4) 0.4696(7) 0.182(9) Uani 1 1 d D . .
H11A H 0.3882 0.1734 0.4737 0.228 Uiso 1 1 calc R . .
H11B H 0.4272 0.1937 0.4461 0.228 Uiso 1 1 calc R . .
H11C H 0.4379 0.1832 0.5021 0.228 Uiso 1 1 calc R . .
CD12 C 0.4258(14) 0.1276(6) 0.4373(14) 0.32(2) Uani 1 1 d D . .
H12A H 0.3901 0.1285 0.4451 0.397 Uiso 1 1 calc R . .
H12B H 0.4414 0.1124 0.4565 0.397 Uiso 1 1 calc R . .
H12C H 0.4302 0.1241 0.4013 0.397 Uiso 1 1 calc R . .
CD13 C 0.5014(12) 0.1570(7) 0.4417(13) 0.241(15) Uani 1 1 d D . .
OD1 O 0.5248(11) 0.1377(4) 0.4225(8) 0.312(13) Uani 1 1 d D . .
ND2 N 0.6653(18) 0.1978(8) 0.040(2) 0.47(5) Uani 1 1 d D . .
CD21 C 0.6585(19) 0.2273(9) 0.0315(15) 0.58(6) Uani 1 1 d D . .
H21A H 0.6230 0.2321 0.0347 0.731 Uiso 1 1 calc R . .
H21B H 0.6701 0.2322 -0.0023 0.731 Uiso 1 1 calc R . .
H21C H 0.6779 0.2379 0.0563 0.731 Uiso 1 1 calc R . .
CD22 C 0.7147(18) 0.1854(16) 0.0325(18) 0.92(14) Uani 1 1 d D . .
H22A H 0.7401 0.2003 0.0327 1.151 Uiso 1 1 calc R . .
H22B H 0.7156 0.1756 0.0002 1.151 Uiso 1 1 calc R . .
H22C H 0.7216 0.1720 0.0595 1.151 Uiso 1 1 calc R . .
CD23 C 0.6233(16) 0.1790(8) 0.0492(12) 0.38(4) Uani 1 1 d D . .
OD2 O 0.6471(19) 0.1574(10) 0.0754(16) 0.57(5) Uani 1 1 d D . .
ND3 N 0.3628(13) 0.0166(8) 0.7913(14) 0.196(13) Uiso 0.50 1 d PD . .
CD31 C 0.328(2) -0.0003(15) 0.758(3) 0.32(4) Uiso 0.50 1 d PD . .
H31A H 0.2932 0.0047 0.7655 0.403 Uiso 0.50 1 calc PR . .
H31B H 0.3331 -0.0204 0.7643 0.403 Uiso 0.50 1 calc PR . .
H31C H 0.3352 0.0038 0.7227 0.403 Uiso 0.50 1 calc PR . .
CD32 C 0.338(3) 0.0402(18) 0.816(4) 0.47(7) Uiso 0.50 1 d PD . .
H32A H 0.3032 0.0353 0.8230 0.593 Uiso 0.50 1 calc PR . .
H32B H 0.3392 0.0567 0.7941 0.593 Uiso 0.50 1 calc PR . .
H32C H 0.3553 0.0445 0.8476 0.593 Uiso 0.50 1 calc PR . .
CD33 C 0.4128(13) 0.0175(9) 0.7814(15) 0.169(13) Uiso 0.50 1 d PD . .
OD3 O 0.4468(18) 0.0142(18) 0.814(3) 0.41(3) Uiso 0.50 1 d PD . .

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 0.2287(11) 0.0674(8) 0.0912(9) 0.0000(3) 0.0166(4) -0.0243(4)
Pt2 0.2053(11) 0.0770(8) 0.0812(9) -0.0008(3) -0.0058(4) -0.0169(4)
C1 0.31(3) 0.086(14) 0.054(13) -0.012(8) 0.032(10) -0.047(12)
C2 0.40(3) 0.080(15) 0.092(18) -0.050(12) 0.073(15) -0.055(15)
C3 0.32(3) 0.063(12) 0.082(12) -0.030(11) -0.008(11) -0.022(12)
C4 0.241(19) 0.140(19) 0.041(12) 0.012(12) 0.002(9) -0.041(12)
C5 0.30(2) 0.030(9) 0.107(17) 0.042(8) 0.011(11) -0.025(9)
C6 0.206(19) 0.13(2) 0.15(2) -0.025(16) 0.039(12) -0.035(13)
C7 0.28(2) 0.080(11) 0.058(10) 0.038(10) -0.024(10) -0.047(11)
C8 0.221(18) 0.157(18) 0.077(13) 0.001(13) -0.001(11) -0.042(14)
B1 0.21(3) 0.16(3) 0.068(15) -0.024(14) 0.012(14) -0.01(2)
C9 0.27(2) 0.045(8) 0.052(9) -0.022(7) -0.023(10) -0.008(9)
C10 0.173(16) 0.105(16) 0.16(2) 0.075(17) -0.015(12) -0.018(11)
C11 0.196(14) 0.087(13) 0.059(12) -0.008(9) -0.007(8) 0.001(9)
C12 0.198(15) 0.120(14) 0.051(12) -0.029(10) 0.015(8) 0.012(10)
C13 0.211(14) 0.075(11) 0.046(9) 0.018(8) 0.013(8) -0.019(9)
C14 0.168(12) 0.074(11) 0.068(12) 0.010(8) 0.009(8) -0.016(8)
C15 0.207(15) 0.101(14) 0.068(13) 0.024(10) 0.027(9) -0.009(10)
C16 0.245(18) 0.096(14) 0.044(9) -0.005(9) 0.004(9) -0.036(11)
N1 0.234(14) 0.088(12) 0.076(11) -0.018(8) -0.019(9) -0.027(9)
C17 0.26(2) 0.064(12) 0.100(15) 0.002(11) -0.024(11) -0.022(10)
C18 0.28(2) 0.14(2) 0.043(12) -0.001(11) -0.003(11) -0.021(14)
C19 0.242(19) 0.076(13) 0.079(14) 0.007(10) 0.033(11) -0.019(11)
C20 0.27(2) 0.118(17) 0.073(12) -0.018(12) -0.036(13) -0.041(14)
C21 0.207(19) 0.141(18) 0.080(14) 0.021(13) -0.028(12) -0.037(13)
C22 0.28(3) 0.058(12) 0.136(16) -0.020(13) 0.038(15) -0.029(13)
C23 0.28(3) 0.062(13) 0.120(15) 0.031(12) -0.003(14) 0.011(13)
B2 0.32(5) 0.14(3) 0.14(3) -0.02(2) -0.06(3) -0.05(3)
N2 0.207(14) 0.062(9) 0.147(17) -0.024(11) 0.019(9) -0.026(7)
C24 0.26(2) 0.111(17) 0.043(12) -0.001(8) 0.031(9) -0.032(12)
C25 0.29(2) 0.064(12) 0.080(11) 0.022(11) -0.025(11) -0.041(11)
C26 0.24(2) 0.112(16) 0.079(15) -0.022(13) -0.006(10) -0.034(11)
C27 0.206(19) 0.124(19) 0.11(2) -0.014(13) -0.013(11) -0.021(12)
C28 0.24(2) 0.071(14) 0.096(13) 0.018(12) 0.035(10) -0.053(10)
C29 0.35(3) 0.102(18) 0.061(11) 0.021(10) 0.018(12) -0.052(15)
C30 0.41(3) 0.078(13) 0.058(10) 0.033(10) -0.047(13) -0.083(16)
N3 0.247(19) 0.081(12) 0.083(10) -0.014(8) -0.020(11) -0.017(15)
N4 0.26(2) 0.078(11) 0.086(11) 0.019(8) -0.003(11) -0.031(12)
C31 0.27(3) 0.104(19) 0.112(16) -0.036(13) -0.029(16) 0.00(2)
C32 0.30(4) 0.20(4) 0.106(19) 0.00(2) -0.02(2) 0.05(4)
C33 0.35(4) 0.13(2) 0.049(12) -0.038(12) -0.019(15) 0.09(2)
C34 0.31(3) 0.11(2) 0.048(11) -0.018(9) 0.007(15) 0.06(2)
C35 0.38(5) 0.29(5) 0.077(18) -0.07(3) -0.01(2) -0.10(4)
C36 0.31(3) 0.13(2) 0.13(2) 0.074(16) -0.01(2) -0.04(2)
C38 0.31(4) 0.21(4) 0.16(2) -0.06(2) 0.04(2) -0.16(3)
C39 0.23(3) 0.19(3) 0.078(13) 0.042(13) 0.005(15) -0.02(2)
C40 0.30(3) 0.15(2) 0.111(16) -0.004(14) -0.014(15) -0.033(17)
C41 0.38(5) 0.15(2) 0.22(4) 0.01(2) -0.12(4) 0.08(3)
C42 0.37(5) 0.59(9) 0.082(18) 0.10(3) -0.07(2) -0.17(5)
C43 0.31(3) 0.112(18) 0.24(3) -0.080(19) 0.00(2) -0.027(18)
C44 0.94(14) 0.09(2) 0.36(6) 0.09(3) 0.30(7) 0.21(5)
C46 0.75(13) 0.08(2) 0.92(17) -0.04(4) -0.59(14) -0.06(4)
C48 0.24(2) 0.17(2) 0.065(11) -0.006(11) -0.024(11) -0.036(17)
N5 0.43(4) 0.085(12) 0.087(16) 0.009(10) 0.05(2) -0.085(18)
N6 0.40(4) 0.080(12) 0.15(3) 0.015(12) -0.01(3) -0.088(18)
C49 0.41(6) 0.15(3) 0.22(5) 0.06(2) -0.16(4) 0.00(3)
C50 0.80(12) 0.051(14) 0.36(6) 0.03(2) 0.35(8) -0.05(3)
C52 0.89(14) 0.074(19) 0.10(2) 0.031(15) -0.13(5) -0.15(4)
C53 0.48(6) 0.075(16) 0.17(4) -0.05(2) 0.14(4) -0.11(3)
C54 0.51(6) 0.049(11) 0.031(15) 0.016(8) 0.00(3) -0.045(18)
C55 0.74(10) 0.22(4) 0.06(2) 0.08(2) -0.08(4) -0.07(5)
C56 0.44(5) 0.15(2) 0.11(2) 0.012(17) -0.03(3) -0.05(2)
C57 0.42(5) 0.12(2) 0.11(3) -0.003(16) 0.00(3) -0.12(3)
C58 0.39(5) 0.12(2) 0.24(4) -0.01(2) -0.06(3) -0.03(2)
C59 0.71(7) 0.034(11) 0.16(2) -0.011(12) 0.12(3) -0.06(2)
C60 0.44(5) 0.12(2) 0.22(4) -0.08(2) 0.03(3) -0.06(2)
C61 1.13(17) 0.15(3) 0.36(6) 0.14(4) -0.41(9) -0.19(6)
C62 0.40(5) 0.11(2) 0.25(4) 0.00(2) 0.02(3) -0.01(2)
P1 0.252(6) 0.083(3) 0.087(3) 0.011(2) 0.005(3) -0.024(3)
P2 0.212(5) 0.072(3) 0.133(4) -0.009(3) 0.033(3) -0.018(3)
C63 0.29(3) 0.075(12) 0.109(15) -0.072(11) 0.034(16) 0.005(14)
C64 0.211(19) 0.156(17) 0.080(12) -0.051(12) 0.018(12) 0.008(14)
C65 0.19(2) 0.20(3) 0.15(2) -0.072(19) 0.003(16) -0.032(18)
C66 0.32(4) 0.085(14) 0.16(2) 0.023(14) 0.07(2) 0.033(17)
C67 0.20(2) 0.19(2) 0.17(2) 0.00(2) 0.004(18) -0.008(19)
C68 0.20(2) 0.15(2) 0.134(17) -0.072(15) -0.010(16) -0.012(16)
C69 0.30(3) 0.119(17) 0.14(2) 0.000(16) -0.10(2) -0.002(17)
C70 0.25(2) 0.18(2) 0.089(15) 0.077(15) -0.026(14) -0.028(18)
C71 0.30(4) 0.19(3) 0.22(4) -0.01(3) -0.03(2) 0.09(3)
C72 0.31(4) 0.10(2) 0.42(7) 0.09(3) -0.13(4) -0.01(2)
C73 0.66(8) 0.60(8) 0.037(13) 0.02(3) -0.04(2) -0.51(8)
C74 0.48(5) 0.082(15) 0.095(18) 0.009(13) -0.020(18) -0.030(17)
C75 0.25(2) 0.026(9) 0.19(2) 0.012(12) -0.038(16) -0.007(10)
C76 0.41(4) 0.039(11) 0.17(2) 0.016(14) -0.08(2) -0.042(15)
C77 0.49(7) 0.18(4) 0.23(4) 0.09(4) -0.06(4) 0.09(4)
C78 0.28(3) 0.12(2) 0.54(9) -0.20(4) -0.13(4) 0.00(2)
C79 0.27(3) 0.13(2) 0.41(6) 0.10(3) 0.16(4) -0.01(2)
C80 0.24(2) 0.082(14) 0.129(17) 0.028(12) -0.013(13) 0.011(12)
C81 0.196(19) 0.17(3) 0.148(18) -0.074(17) 0.032(14) -0.020(16)
C82 0.31(3) 0.094(17) 0.29(3) -0.14(2) 0.02(3) 0.028(19)
C83 0.26(2) 0.110(18) 0.21(2) -0.008(16) 0.12(2) -0.053(16)
C84 0.31(3) 0.110(18) 0.22(3) 0.080(17) 0.10(2) -0.001(18)
C85 0.40(4) 0.19(3) 0.21(3) -0.07(2) 0.17(3) -0.17(3)
C86 0.25(2) 0.069(13) 0.23(3) -0.007(15) 0.039(19) -0.020(13)
C87 0.22(2) 0.071(12) 0.147(18) 0.013(10) 0.048(18) 0.012(11)
C88 0.192(16) 0.058(9) 0.104(13) 0.006(8) -0.003(12) -0.017(8)
C89 0.21(2) 0.17(2) 0.17(2) -0.052(18) 0.026(17) -0.010(17)
C90 0.22(2) 0.150(18) 0.089(13) 0.004(11) 0.012(14) -0.004(15)
C91 0.24(3) 0.16(2) 0.22(3) 0.05(2) -0.02(3) -0.077(19)
C92 0.160(18) 0.123(15) 0.17(2) -0.004(14) -0.006(14) -0.003(13)
C93 0.24(2) 0.054(14) 0.21(2) 0.002(14) 0.016(18) -0.010(12)
C94 0.28(4) 0.047(13) 0.50(7) -0.02(2) 0.09(4) 0.002(15)
C95 0.29(6) 0.78(19) 1.4(3) 0.7(2) 0.46(13) 0.31(9)
C97 0.39(5) 0.062(16) 0.45(7) 0.02(2) 0.23(5) -0.018(19)
C98 0.36(4) 0.082(18) 0.24(3) -0.033(18) 0.06(3) -0.10(2)
P3 0.229(5) 0.073(3) 0.100(3) 0.019(2) -0.005(3) -0.011(3)
P4 0.205(5) 0.103(4) 0.106(4) 0.021(3) -0.011(3) -0.018(3)
C99 0.200(19) 0.044(9) 0.154(16) -0.022(10) -0.007(14) -0.011(10)
C100 0.27(3) 0.077(13) 0.151(18) 0.054(13) -0.082(16) -0.020(13)
C101 0.24(3) 0.084(16) 0.34(5) -0.05(2) 0.00(3) -0.019(17)
C102 0.64(10) 0.11(2) 0.13(2) 0.015(16) 0.04(3) -0.06(4)
C103 0.31(4) 0.17(3) 0.25(3) -0.02(2) -0.17(3) 0.07(3)
C104 0.22(2) 0.083(14) 0.32(4) -0.11(2) 0.01(2) -0.012(15)
C105 0.180(17) 0.088(15) 0.21(2) 0.018(16) 0.023(15) 0.030(12)
C106 0.21(2) 0.13(2) 0.24(3) 0.08(2) 0.035(19) -0.018(15)
C107 0.34(5) 0.18(3) 0.26(4) 0.09(3) -0.05(4) -0.01(3)
C108 0.18(2) 0.28(5) 0.40(6) 0.22(5) 0.07(3) 0.03(2)
C109 0.190(18) 0.033(10) 0.40(4) -0.080(16) -0.03(2) 0.008(10)
C110 0.27(3) 0.054(14) 0.37(5) -0.001(19) 0.10(3) 0.033(15)
C111 0.223(17) 0.049(9) 0.121(15) -0.028(9) -0.004(12) 0.037(10)
C112 0.26(3) 0.20(3) 0.19(4) 0.00(2) -0.04(2) 0.07(2)
C113 0.27(3) 0.23(3) 0.111(18) -0.06(2) 0.010(17) -0.02(3)
C114 0.53(7) 0.16(3) 0.18(3) 0.02(2) 0.05(3) 0.15(4)
C115 0.42(5) 0.23(4) 0.120(19) 0.06(2) 0.04(2) 0.11(3)
C116 0.30(3) 0.13(2) 0.15(2) -0.035(16) -0.04(2) 0.042(18)
C117 0.167(18) 0.18(3) 0.17(2) -0.031(18) -0.012(15) -0.035(15)
C118 0.30(3) 0.13(2) 0.21(3) 0.04(2) -0.07(3) 0.00(2)
C119 0.62(8) 0.19(3) 0.20(3) 0.14(2) -0.20(4) -0.24(4)
C120 0.32(5) 0.59(11) 0.44(8) -0.06(7) -0.21(5) -0.23(6)
C121 0.44(5) 0.059(13) 0.20(2) 0.000(13) -0.07(2) -0.075(19)
C122 0.34(3) 0.065(12) 0.143(16) 0.033(12) -0.007(18) -0.031(15)
C123 0.189(16) 0.25(3) 0.033(11) 0.008(14) 0.002(9) -0.016(16)
C124 0.204(18) 0.128(17) 0.123(18) -0.028(13) -0.014(13) 0.004(12)
C125 0.30(4) 0.56(8) 0.071(16) 0.01(3) 0.05(2) 0.19(4)
C126 0.21(2) 0.29(4) 0.062(14) 0.021(17) 0.030(12) -0.01(2)
C127 0.33(5) 0.40(7) 0.27(6) 0.22(5) -0.12(4) -0.19(5)
C128 0.40(4) 0.18(2) 0.027(12) -0.011(12) 0.002(15) -0.05(2)
C129 0.189(17) 0.109(13) 0.097(13) 0.004(10) 0.001(12) -0.016(13)
C130 0.225(18) 0.114(15) 0.056(10) -0.001(9) 0.007(11) 0.020(13)
C131 0.26(2) 0.072(14) 0.137(19) -0.054(14) -0.016(15) 0.001(12)
C132 0.30(3) 0.110(17) 0.120(16) 0.062(13) -0.033(17) -0.003(19)
C133 0.35(3) 0.077(14) 0.17(2) 0.062(15) -0.02(2) 0.009(16)
C134 0.192(18) 0.129(16) 0.084(11) -0.006(11) 0.011(10) -0.003(13)
S1 0.387(12) 0.131(5) 0.103(5) 0.020(4) -0.007(6) 0.029(6)
S2 0.398(14) 0.199(10) 0.157(8) -0.079(7) -0.074(7) 0.049(8)
O1 0.31(2) 0.180(18) 0.190(17) -0.004(13) -0.004(16) 0.039(16)
O2 0.40(2) 0.118(11) 0.090(11) 0.024(7) -0.032(12) 0.005(12)
O3 0.47(3) 0.186(19) 0.121(12) -0.018(12) -0.004(16) -0.04(2)
O4 0.37(3) 0.151(17) 0.21(2) -0.035(15) -0.034(15) 0.046(14)
O5 0.70(6) 0.153(17) 0.109(15) -0.015(12) -0.07(2) 0.11(2)
O6 0.31(3) 0.35(4) 0.62(8) -0.19(5) -0.15(4) 0.15(3)
C201 0.27(2) 0.107(17) 0.113(17) -0.008(13) -0.005(16) 0.021(14)
C202 0.31(3) 0.14(2) 0.104(17) 0.020(16) 0.008(17) 0.036(18)
C203 0.36(4) 0.14(2) 0.107(17) 0.054(17) 0.021(19) 0.08(2)
C204 0.30(3) 0.16(2) 0.071(16) 0.011(14) -0.030(17) 0.026(19)
C205 0.26(2) 0.121(17) 0.108(19) 0.000(15) 0.007(15) 0.021(15)
C206 0.43(4) 0.14(2) 0.053(14) -0.017(13) 0.007(19) 0.04(2)
C207 0.31(4) 0.44(8) 0.068(18) 0.09(3) -0.041(18) -0.03(4)
C208 0.39(4) 0.16(2) 0.077(17) -0.011(15) -0.040(18) 0.11(2)
ND1 0.33(3) 0.123(15) 0.096(11) -0.002(10) -0.036(15) -0.037(18)
CD11 0.34(3) 0.104(15) 0.099(13) 0.014(11) -0.002(13) 0.014(15)
CD12 0.46(6) 0.23(4) 0.26(4) 0.08(3) 0.02(3) -0.13(4)
CD13 0.37(5) 0.17(3) 0.18(3) -0.07(2) 0.01(3) 0.04(3)
OD1 0.58(4) 0.119(13) 0.23(2) -0.080(14) -0.01(2) -0.043(19)
ND2 0.79(11) 0.18(3) 0.43(7) 0.08(4) 0.17(7) 0.21(5)
CD21 0.43(7) 1.01(18) 0.31(6) -0.40(9) -0.02(5) -0.11(9)
CD22 0.55(10) 1.8(3) 0.37(7) -0.59(14) -0.13(7) 0.66(18)
CD23 0.69(10) 0.29(5) 0.15(3) -0.10(3) -0.09(4) 0.29(7)
OD2 0.54(7) 0.85(12) 0.31(4) 0.01(6) 0.01(4) 0.34(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 C1 2.023(17) . ?
Pt1 N2 2.154(14) . ?
Pt1 P1 2.317(7) . ?
Pt1 P2 2.327(7) . ?
Pt2 C14 1.985(14) . ?
Pt2 N1 2.190(13) . ?
Pt2 P4 2.319(7) . ?
Pt2 P3 2.323(7) . ?
C1 C2 1.414(16) . ?
C1 C6 1.424(17) . ?
C2 C3 1.398(16) . ?
C3 C4 1.406(16) . ?
C4 C7 1.38(3) . ?
C4 C5 1.386(16) . ?
C5 C6 1.397(17) . ?
C7 C8 1.27(3) . ?
C8 B1 1.70(3) . ?
B1 N3 1.469(18) . ?
B1 N4 1.472(18) . ?
B1 C9 1.53(3) . ?
C9 C10 1.22(3) . ?
C10 C11 1.53(3) . ?
C11 C16 1.384(15) . ?
C11 C12 1.389(15) . ?
C12 C13 1.371(14) . ?
C13 C14 1.382(14) . ?
C14 C15 1.405(15) . ?
C15 C16 1.379(15) . ?
N1 C21 1.300(15) . ?
N1 C17 1.314(15) . ?
C17 C18 1.387(17) . ?
C18 C19 1.407(16) . ?
C19 C20 1.381(16) . ?
C19 C22 1.50(3) . ?
C20 C21 1.398(16) . ?
C22 C23 1.10(2) . ?
C23 B2 1.67(4) . ?
B2 N5 1.472(14) . ?
B2 C30 1.48(4) 5_655 ?
B2 N6 1.61(4) . ?
N2 C28 1.333(15) . ?
N2 C24 1.350(15) . ?
C24 C25 1.407(16) . ?
C25 C26 1.343(16) . ?
C26 C27 1.391(16) . ?
C26 C29 1.48(3) . ?
C27 C28 1.385(17) . ?
C29 C30 1.23(3) . ?
C30 B2 1.48(4) 5_655 ?
N3 C31 1.36(3) . ?
N3 C34 1.41(3) . ?
N4 C39 1.29(3) . ?
N4 C36 1.39(3) . ?
C31 C32 1.431(19) . ?
C31 C40 1.47(3) . ?
C32 C33 1.389(19) . ?
C32 C41 1.46(5) . ?
C33 C34 1.381(19) . ?
C33 C43 1.56(4) . ?
C34 C35 1.491(19) . ?
C35 C44 1.45(4) . ?
C35 C36 1.49(2) . ?
C36 C37 1.39(2) . ?
C37 C38 1.40(2) . ?
C37 C45 1.54(2) . ?
C38 C46 1.03(9) . ?
C38 C39 1.397(18) . ?
C39 C48 1.47(3) . ?
C41 C42 1.36(5) . ?
C46 C47 1.15(8) . ?
N5 C49 1.35(4) . ?
N5 C52 1.52(4) . ?
N6 C54 1.32(4) . ?
N6 C57 1.45(4) . ?
C49 C50 1.40(2) . ?
C49 C58 1.50(5) . ?
C50 C51 1.40(2) . ?
C51 C52 1.40(2) . ?
C51 C59 1.53(2) . ?
C52 C53 1.40(2) . ?
C53 C54 1.400(19) . ?
C53 C60 1.53(2) . ?
C54 C55 1.394(19) . ?
C55 C56 1.39(2) . ?
C55 C61 1.56(2) . ?
C56 C57 1.415(19) . ?
C57 C62 1.47(5) . ?
P1 C63 1.75(2) . ?
P1 C69 1.81(2) . ?
P1 C75 1.915(17) . ?
P2 C93 1.73(2) . ?
P2 C81 1.73(2) . ?
P2 C87 1.80(2) . ?
C63 C68 1.395(17) . ?
C63 C64 1.424(17) . ?
C64 C65 1.388(17) . ?
C65 C66 1.377(18) . ?
C66 C67 1.403(18) . ?
C67 C68 1.414(18) . ?
C69 C70 1.405(18) . ?
C69 C74 1.414(18) . ?
C70 C71 1.421(19) . ?
C71 C72 1.39(2) . ?
C72 C73 1.40(2) . ?
C73 C74 1.421(18) . ?
C75 C80 1.32(3) . ?
C75 C76 1.399(17) . ?
C76 C77 1.41(2) . ?
C77 C78 1.41(2) . ?
C78 C79 1.42(2) . ?
C79 C80 1.424(17) . ?
C81 C86 1.406(18) . ?
C81 C82 1.424(17) . ?
C82 C83 1.416(18) . ?
C83 C84 1.376(18) . ?
C84 C85 1.392(19) . ?
C85 C86 1.400(17) . ?
C87 C92 1.391(17) . ?
C87 C88 1.405(16) . ?
C88 C89 1.417(17) . ?
C89 C90 1.401(17) . ?
C90 C91 1.385(18) . ?
C91 C92 1.398(18) . ?
C93 C94 1.41(2) . ?
C93 C98 1.409(18) . ?
C94 C95 1.41(2) . ?
C95 C96 1.40(2) . ?
C96 C97 1.41(2) . ?
C97 C98 1.409(19) . ?
P3 C99 1.75(2) . ?
P3 C111 1.806(17) . ?
P3 C105 1.84(3) . ?
P4 C129 1.785(19) . ?
P4 C123 1.827(19) . ?
P4 C117 1.88(2) . ?
C99 C100 1.416(17) . ?
C99 C104 1.421(17) . ?
C100 C101 1.391(19) . ?
C101 C102 1.40(2) . ?
C102 C103 1.40(2) . ?
C103 C104 1.416(18) . ?
C105 C110 1.402(19) . ?
C105 C106 1.409(18) . ?
C106 C107 1.382(19) . ?
C107 C108 1.40(2) . ?
C108 C109 1.400(19) . ?
C109 C110 1.447(18) . ?
C111 C112 1.365(18) . ?
C111 C116 1.394(17) . ?
C112 C113 1.402(18) . ?
C113 C114 1.384(19) . ?
C114 C115 1.387(19) . ?
C115 C116 1.382(19) . ?
C117 C118 1.373(18) . ?
C117 C122 1.381(18) . ?
C118 C119 1.378(19) . ?
C119 C120 1.40(2) . ?
C120 C121 1.409(18) . ?
C121 C122 1.394(18) . ?
C123 C128 1.401(18) . ?
C123 C124 1.406(17) . ?
C124 C125 1.381(18) . ?
C125 C126 1.398(19) . ?
C126 C127 1.389(19) . ?
C127 C128 1.385(19) . ?
C129 C134 1.401(16) . ?
C129 C130 1.405(16) . ?
C130 C131 1.402(17) . ?
C131 C132 1.385(17) . ?
C132 C133 1.404(18) . ?
C133 C134 1.376(17) . ?
S1 O2 1.487(15) . ?
S1 O3 1.517(18) . ?
S1 O1 1.54(2) . ?
S1 C201 1.80(2) . ?
S2 O4 1.478(19) . ?
S2 O6 1.50(2) . ?
S2 O5 1.50(2) . ?
S2 C203 1.68(2) . ?
C201 C202 1.394(18) . ?
C201 C206 1.45(3) . ?
C202 C203 1.377(17) . ?
C203 C204 1.431(17) . ?
C204 C207 1.39(2) . ?
C204 C205 1.409(18) . ?
C205 C206 1.410(18) . ?
C205 C205 1.57(4) 5_655 ?
C206 C208 1.410(18) . ?
C207 C208 1.45(4) 5_655 ?
C208 C207 1.45(4) 5_655 ?
ND1 CD11 1.42(2) . ?
ND1 CD13 1.42(2) . ?
ND1 CD12 1.46(2) . ?
CD13 OD1 1.22(2) . ?
ND2 CD21 1.43(3) . ?
ND2 CD23 1.46(3) . ?
ND2 CD22 1.46(3) . ?
CD23 OD2 1.40(3) . ?
ND3 CD33 1.36(3) . ?
ND3 CD32 1.46(3) . ?
ND3 CD31 1.52(3) . ?
CD33 OD3 1.26(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 N2 178.3(6) . . ?
C1 Pt1 P1 88.0(6) . . ?
N2 Pt1 P1 91.9(4) . . ?
C1 Pt1 P2 89.9(6) . . ?
N2 Pt1 P2 90.2(4) . . ?
P1 Pt1 P2 177.87(17) . . ?
C14 Pt2 N1 175.7(5) . . ?
C14 Pt2 P4 87.0(5) . . ?
N1 Pt2 P4 90.7(4) . . ?
C14 Pt2 P3 89.9(5) . . ?
N1 Pt2 P3 92.6(4) . . ?
P4 Pt2 P3 175.65(16) . . ?
C2 C1 C6 115.0(16) . . ?
C2 C1 Pt1 118.0(12) . . ?
C6 C1 Pt1 126.9(11) . . ?
C3 C2 C1 123.9(15) . . ?
C2 C3 C4 117.9(16) . . ?
C7 C4 C5 123.5(15) . . ?
C7 C4 C3 115.7(15) . . ?
C5 C4 C3 120.8(17) . . ?
C4 C5 C6 119.6(17) . . ?
C5 C6 C1 122.5(18) . . ?
C8 C7 C4 168.7(18) . . ?
C7 C8 B1 165.1(18) . . ?
N3 B1 N4 112(2) . . ?
N3 B1 C9 108.3(17) . . ?
N4 B1 C9 114.9(16) . . ?
N3 B1 C8 111.7(15) . . ?
N4 B1 C8 108.2(16) . . ?
C9 B1 C8 101.0(17) . . ?
C10 C9 B1 175.1(18) . . ?
C9 C10 C11 170.9(17) . . ?
C16 C11 C12 118.9(14) . . ?
C16 C11 C10 119.7(13) . . ?
C12 C11 C10 121.4(13) . . ?
C13 C12 C11 119.7(15) . . ?
C12 C13 C14 125.5(13) . . ?
C13 C14 C15 111.4(12) . . ?
C13 C14 Pt2 124.1(10) . . ?
C15 C14 Pt2 124.4(10) . . ?
C16 C15 C14 126.6(14) . . ?
C15 C16 C11 117.8(13) . . ?
C21 N1 C17 124.5(14) . . ?
C21 N1 Pt2 118.8(12) . . ?
C17 N1 Pt2 116.6(11) . . ?
N1 C17 C18 119.2(16) . . ?
C17 C18 C19 120.2(18) . . ?
C20 C19 C18 116.2(16) . . ?
C20 C19 C22 125.9(16) . . ?
C18 C19 C22 117.8(16) . . ?
C19 C20 C21 121.3(16) . . ?
N1 C21 C20 118.4(16) . . ?
C23 C22 C19 176(2) . . ?
C22 C23 B2 175(2) . . ?
N5 B2 C30 114(3) . 5_655 ?
N5 B2 N6 100(4) . . ?
C30 B2 N6 115(2) 5_655 . ?
N5 B2 C23 109(2) . . ?
C30 B2 C23 109(2) 5_655 . ?
N6 B2 C23 109(2) . . ?
C28 N2 C24 121.9(14) . . ?
C28 N2 Pt1 114.6(12) . . ?
C24 N2 Pt1 123.5(11) . . ?
N2 C24 C25 119.2(14) . . ?
C26 C25 C24 121.5(16) . . ?
C25 C26 C27 116.1(17) . . ?
C25 C26 C29 120.0(17) . . ?
C27 C26 C29 123.8(15) . . ?
C28 C27 C26 123.3(18) . . ?
N2 C28 C27 117.7(16) . . ?
C30 C29 C26 176(3) . . ?
C29 C30 B2 174(2) . 5_655 ?
C31 N3 C34 105(2) . . ?
C31 N3 B1 128(2) . . ?
C34 N3 B1 126(3) . . ?
C39 N4 C36 112(2) . . ?
C39 N4 B1 127(2) . . ?
C36 N4 B1 119(3) . . ?
N3 C31 C32 109(3) . . ?
N3 C31 C40 125(3) . . ?
C32 C31 C40 126(4) . . ?
C33 C32 C31 108(3) . . ?
C33 C32 C41 117(3) . . ?
C31 C32 C41 135(4) . . ?
C34 C33 C32 105(2) . . ?
C34 C33 C43 122(3) . . ?
C32 C33 C43 132(4) . . ?
C33 C34 N3 112(2) . . ?
C33 C34 C35 125(3) . . ?
N3 C34 C35 123(3) . . ?
C44 C35 C34 140(4) . . ?
C44 C35 C36 112(3) . . ?
C34 C35 C36 107(3) . . ?
C37 C36 N4 105(3) . . ?
C37 C36 C35 124(3) . . ?
N4 C36 C35 131(3) . . ?
C36 C37 C38 108(3) . . ?
C36 C37 C45 141(4) . . ?
C38 C37 C45 111(3) . . ?
C46 C38 C39 140(5) . . ?
C46 C38 C37 114(4) . . ?
C39 C38 C37 107(2) . . ?
N4 C39 C38 108(2) . . ?
N4 C39 C48 128(2) . . ?
C38 C39 C48 124(3) . . ?
C42 C41 C32 119(3) . . ?
C38 C46 C47 144(10) . . ?
C49 N5 B2 129(3) . . ?
C49 N5 C52 96(3) . . ?
B2 N5 C52 135(4) . . ?
C54 N6 C57 116(3) . . ?
C54 N6 B2 129(4) . . ?
C57 N6 B2 114(3) . . ?
N5 C49 C50 113(4) . . ?
N5 C49 C58 119(3) . . ?
C50 C49 C58 128(4) . . ?
C49 C50 C51 112(4) . . ?
C52 C51 C50 95(5) . . ?
C52 C51 C59 105(4) . . ?
C50 C51 C59 136(7) . . ?
C51 C52 C53 132(4) . . ?
C51 C52 N5 116(3) . . ?
C53 C52 N5 109(4) . . ?
C54 C53 C52 126(3) . . ?
C54 C53 C60 106(3) . . ?
C52 C53 C60 127(3) . . ?
N6 C54 C55 104(3) . . ?
N6 C54 C53 120(3) . . ?
C55 C54 C53 136(2) . . ?
C56 C55 C54 109(2) . . ?
C56 C55 C61 105(4) . . ?
C54 C55 C61 144(4) . . ?
C55 C56 C57 111(3) . . ?
C56 C57 N6 99(3) . . ?
C56 C57 C62 126(5) . . ?
N6 C57 C62 134(4) . . ?
C63 P1 C69 105.6(11) . . ?
C63 P1 C75 98.1(10) . . ?
C69 P1 C75 107.4(10) . . ?
C63 P1 Pt1 118.8(8) . . ?
C69 P1 Pt1 111.5(8) . . ?
C75 P1 Pt1 114.1(7) . . ?
C93 P2 C81 104.8(11) . . ?
C93 P2 C87 105.1(11) . . ?
C81 P2 C87 106.4(9) . . ?
C93 P2 Pt1 108.7(9) . . ?
C81 P2 Pt1 120.0(8) . . ?
C87 P2 Pt1 110.8(8) . . ?
C68 C63 C64 116.4(16) . . ?
C68 C63 P1 123.2(14) . . ?
C64 C63 P1 120.3(19) . . ?
C65 C64 C63 129.5(19) . . ?
C66 C65 C64 111.6(19) . . ?
C65 C66 C67 122(2) . . ?
C66 C67 C68 124(2) . . ?
C63 C68 C67 115.8(18) . . ?
C70 C69 C74 121(2) . . ?
C70 C69 P1 120.2(17) . . ?
C74 C69 P1 118.7(16) . . ?
C69 C70 C71 125(2) . . ?
C72 C71 C70 115(3) . . ?
C71 C72 C73 120(3) . . ?
C72 C73 C74 127(3) . . ?
C69 C74 C73 113(2) . . ?
C80 C75 C76 122.0(17) . . ?
C80 C75 P1 118.1(14) . . ?
C76 C75 P1 119.8(16) . . ?
C75 C76 C77 134(2) . . ?
C76 C77 C78 99(3) . . ?
C77 C78 C79 133(3) . . ?
C78 C79 C80 118(2) . . ?
C75 C80 C79 113(2) . . ?
C86 C81 C82 110(2) . . ?
C86 C81 P2 122.3(15) . . ?
C82 C81 P2 127.4(19) . . ?
C83 C82 C81 124(2) . . ?
C84 C83 C82 121(2) . . ?
C83 C84 C85 118(2) . . ?
C84 C85 C86 118(3) . . ?
C85 C86 C81 128(2) . . ?
C92 C87 C88 121.2(19) . . ?
C92 C87 P2 119.5(17) . . ?
C88 C87 P2 119.2(18) . . ?
C87 C88 C89 119.6(18) . . ?
C90 C89 C88 121(2) . . ?
C91 C90 C89 115(2) . . ?
C90 C91 C92 127(2) . . ?
C87 C92 C91 115(2) . . ?
C94 C93 C98 111(3) . . ?
C94 C93 P2 123.1(17) . . ?
C98 C93 P2 126(2) . . ?
C93 C94 C95 120(4) . . ?
C96 C95 C94 121(7) . . ?
C95 C96 C97 127(8) . . ?
C96 C97 C98 104(5) . . ?
C93 C98 C97 138(3) . . ?
C99 P3 C111 106.2(8) . . ?
C99 P3 C105 102.4(9) . . ?
C111 P3 C105 104.4(10) . . ?
C99 P3 Pt2 113.8(8) . . ?
C111 P3 Pt2 112.8(7) . . ?
C105 P3 Pt2 116.0(6) . . ?
C129 P4 C123 106.9(9) . . ?
C129 P4 C117 108.7(9) . . ?
C123 P4 C117 104.2(10) . . ?
C129 P4 Pt2 111.3(7) . . ?
C123 P4 Pt2 114.9(6) . . ?
C117 P4 Pt2 110.6(8) . . ?
C100 C99 C104 114(2) . . ?
C100 C99 P3 120.1(16) . . ?
C104 C99 P3 125.4(18) . . ?
C101 C100 C99 126(2) . . ?
C100 C101 C102 112(3) . . ?
C103 C102 C101 131(3) . . ?
C102 C103 C104 110(2) . . ?
C103 C104 C99 126(2) . . ?
C110 C105 C106 120(2) . . ?
C110 C105 P3 118.4(16) . . ?
C106 C105 P3 122(2) . . ?
C107 C106 C105 129(3) . . ?
C106 C107 C108 105(4) . . ?
C107 C108 C109 136(4) . . ?
C108 C109 C110 112(2) . . ?
C105 C110 C109 118(2) . . ?
C112 C111 C116 118.5(19) . . ?
C112 C111 P3 123.4(15) . . ?
C116 C111 P3 117.3(17) . . ?
C111 C112 C113 125(2) . . ?
C114 C113 C112 116(3) . . ?
C113 C114 C115 118(3) . . ?
C116 C115 C114 125(3) . . ?
C115 C116 C111 116(2) . . ?
C118 C117 C122 122(2) . . ?
C118 C117 P4 117.6(18) . . ?
C122 C117 P4 120.5(16) . . ?
C117 C118 C119 127(3) . . ?
C118 C119 C120 107(3) . . ?
C119 C120 C121 130(3) . . ?
C122 C121 C120 116(2) . . ?
C117 C122 C121 117(2) . . ?
C128 C123 C124 123.3(17) . . ?
C128 C123 P4 115.8(17) . . ?
C124 C123 P4 120.8(14) . . ?
C125 C124 C123 123(2) . . ?
C124 C125 C126 116(2) . . ?
C127 C126 C125 119(2) . . ?
C128 C127 C126 128(3) . . ?
C127 C128 C123 111(2) . . ?
C134 C129 C130 121.5(17) . . ?
C134 C129 P4 121.4(14) . . ?
C130 C129 P4 117.0(16) . . ?
C131 C130 C129 111.9(18) . . ?
C132 C131 C130 128(2) . . ?
C131 C132 C133 116.9(19) . . ?
C134 C133 C132 116(2) . . ?
C133 C134 C129 123.1(19) . . ?
O2 S1 O3 111.5(11) . . ?
O2 S1 O1 113.6(12) . . ?
O3 S1 O1 110.6(14) . . ?
O2 S1 C201 104.3(10) . . ?
O3 S1 C201 113.3(13) . . ?
O1 S1 C201 103.2(11) . . ?
O4 S2 O6 117.8(19) . . ?
O4 S2 O5 113.0(13) . . ?
O6 S2 O5 110.6(19) . . ?
O4 S2 C203 105.3(14) . . ?
O6 S2 C203 106.1(16) . . ?
O5 S2 C203 102.4(15) . . ?
C202 C201 C206 120(2) . . ?
C202 C201 S1 114.1(16) . . ?
C206 C201 S1 125.9(19) . . ?
C203 C202 C201 126(2) . . ?
C202 C203 C204 115(2) . . ?
C202 C203 S2 126(2) . . ?
C204 C203 S2 119.0(16) . . ?
C207 C204 C205 111(2) . . ?
C207 C204 C203 128(3) . . ?
C205 C204 C203 120(2) . . ?
C204 C205 C206 124(2) . . ?
C204 C205 C205 127(3) . 5_655 ?
C206 C205 C205 108(3) . 5_655 ?
C205 C206 C208 132(2) . . ?
C205 C206 C201 113.9(19) . . ?
C208 C206 C201 114(2) . . ?
C204 C207 C208 131(3) . 5_655 ?
C206 C208 C207 110(2) . 5_655 ?
CD11 ND1 CD13 117.4(19) . . ?
CD11 ND1 CD12 125(2) . . ?
CD13 ND1 CD12 118(2) . . ?
OD1 CD13 ND1 120(3) . . ?
CD21 ND2 CD23 122(3) . . ?
CD21 ND2 CD22 119(3) . . ?
CD23 ND2 CD22 118(3) . . ?
OD2 CD23 ND2 101(3) . . ?
CD33 ND3 CD32 120(3) . . ?
CD33 ND3 CD31 120(3) . . ?
CD32 ND3 CD31 113(3) . . ?
OD3 CD33 ND3 125(4) . . ?

_diffrn_measured_fraction_theta_max 0.838
_diffrn_reflns_theta_full        28.85
_diffrn_measured_fraction_theta_full 0.838
_refine_diff_density_max         1.036
_refine_diff_density_min         -2.283
_refine_diff_density_rms         0.156
_database_code_depnum_ccdc_archive 'CCDC 934796'