#------------------------------------------------------------------------------
#$Date: 2022-10-13 01:58:59 +0300 (Thu, 13 Oct 2022) $
#$Revision: 278556 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/14/7711469.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_7711469
loop_
_publ_author_name
'Cheng, Ying'
'Zhang, Zeyuan'
'Duan, Xianglong'
'Zhang, Mingming'
_publ_section_title
;
 cis-Dipyridyl Porphyrin-Based Multicomponent Organoplatinum(II)
 Bismetallacycles for Photocatalytic Oxidation
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02197H
_journal_year                    2022
_chemical_formula_moiety
'2(C77 H91 N6 O4 P4 Pt2), 13[C2H3N], 5[C6H14O], 0.5[], 1[], 0.5[]'
_chemical_formula_sum            'C210 H291 N25 O13 P8 Pt4'
_chemical_formula_weight         4401.78
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2022-10-06
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_audit_update_record
;
2022-10-09 deposited with the CCDC.	2022-10-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 134.806(19)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   53.469(13)
_cell_length_b                   26.692(6)
_cell_length_c                   37.842(10)
_cell_measurement_reflns_used    6776
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      41.42
_cell_measurement_theta_min      2.68
_cell_volume                     38318(2)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      193.0
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1181
_diffrn_reflns_av_unetI/netI     0.0740
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       63
_diffrn_reflns_limit_h_min       -63
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            211404
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.901
_diffrn_reflns_theta_min         0.933
_exptl_absorpt_coefficient_mu    3.048
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.5881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1206 before and 0.0869 after correction.
The Ratio of minimum to maximum transmission is 0.7835.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_description       block
_exptl_crystal_F_000             18096
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.221
_refine_diff_density_min         -1.333
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1566
_refine_ls_number_reflns         33330
_refine_ls_number_restraints     3540
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.1494
_refine_ls_R_factor_gt           0.0973
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²+10.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2944
_refine_ls_wR_factor_ref         0.3440
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16381
_reflns_number_total             33330
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02197h2.cif
_cod_data_source_block           123_sq
_cod_original_cell_volume        38319(18)
_cod_database_code               7711469
_shelxl_version_number           2014-1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.750
_shelx_estimated_absorpt_t_min   0.675
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H21C-H28A
 2.1 with sigma of 0.02
 H61-H9
 2.1 with sigma of 0.02
 HQ-H65
 2.1 with sigma of 0.02
 H13E-H33A
 2.1 with sigma of 0.02
 H66-HQ
 2.1 with sigma of 0.02
 H10B-H13F
 2.1 with sigma of 0.02
 H35D-H35A
 2.1 with sigma of 0.02
 H35C-H53_$1
 2.1 with sigma of 0.02
 C313-C261
 3.1 with sigma of 0.01
 C273-C343
 3.1 with sigma of 0.01
 C343-C273
 3.95 with sigma of 0.01
 C273-C270
 3.3 with sigma of 0.01
 C239-C217
 3.5 with sigma of 0.01
 C119_$1-C350
 3.5 with sigma of 0.01
 C350-C13
 3.3 with sigma of 0.01
 C135-C233
 3.3 with sigma of 0.01
 C280-C33
 3.8 with sigma of 0.01
 C33-C133
 1.53 with sigma of 0.01
 C33-C280
 3.9 with sigma of 0.01
 P26-C33
 2.7 with sigma of 0.01
 C297-C173 \\sim C250-C208 \\sim C80-C232 \\sim C166-C106 \\sim C192-C127 \\sim
C88-C114 \\sim C212-
 C143 \\sim C29-C125
 with sigma of 0.0008
 C212-C204 \\sim C322-C212 \\sim C192-C140 \\sim C192-C170 \\sim C152-C114
\\sim C68-C114 \\sim C29-
 C186 \\sim C79-C29 \\sim C266-C208 \\sim C230-C208 \\sim C302-C297 \\sim
C323-C297 \\sim C80-C150 ~
 C80-C78 \\sim C166-C122 \\sim C60-C166
 with sigma of 0.0008
 C83-C79 \\sim C83-C317 \\sim C317-C140 \\sim C74-C170 \\sim C74-C66 \\sim
C66-C152 \\sim C190-C186 ~
 C324-C190 \\sim C324-C322 \\sim C303-C204 \\sim C320-C303 \\sim C68-C320 \\sim
C230-C196 \\sim C316-
 C196 \\sim C316-C302 \\sim C323-C206 \\sim C244-C206 \\sim C244-C150 \\sim
C78-C160 \\sim C222-C160 ~
 C60-C222 \\sim C226-C122 \\sim C242-C226 \\sim C266-C242
 with sigma of 0.0008
 P24-C220 \\sim P24-C95 \\sim P24-C313 \\sim P12-C262 \\sim P12-C43 \\sim
P12-C337 \\sim P40-C13 \\sim P40-
 C177 \\sim P40-C357 \\sim P18-C193 \\sim P18-C135 \\sim P18-C340 \\sim
P26-C321 \\sim P26-C133 \\sim P26-
 C213 \\sim P38-C280 \\sim P38-C307 \\sim P38-C331 \\sim P8-C270 \\sim P8-C319
\\sim P8-C343 \\sim P14-C273
 \\sim P14-C284 \\sim P14-C169
 with sigma of 0.001
 C79-C65 \\sim C186-C119
 with sigma of 0.0008
 C65-C29 \\sim C29-C119
 with sigma of 0.0008
 C31-C284 \\sim C273-C239 \\sim C352-C169 \\sim C7-C343 \\sim C270-C217 \\sim
C319-C305 \\sim C331-
 C181 \\sim C307-C215 \\sim C280-C103 \\sim C33-C133 \\sim C45-C213 \\sim
C321-C109 \\sim C95-C261 ~
 C313-C223 \\sim C220-C111 \\sim C43-C346 \\sim C51-C337 \\sim C262-C167 \\sim
C340-C233 \\sim C73-C193
 \\sim C135-C113 \\sim C99-C357 \\sim C145-C13 \\sim C350-C177
 with sigma of 0.0008
 O52-C82 \\sim O50-C82 \\sim O132-C116 \\sim O20-C116 \\sim O32-C130 \\sim
O48-C130 \\sim O30-C144 ~
 O42-C144
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C273 \\sim C239: within 1.8A with sigma of 0.005 and sigma for terminal atoms
of 0.01
C340 \\sim C233: within 1.8A with sigma of 0.005 and sigma for terminal atoms
of 0.01
C133 \\sim C33: within 1.8A with sigma of 0.005 and sigma for terminal atoms of
0.01
All non-hydrogen atoms have similar U: within -2.7A with sigma of 0.009 and
sigma for terminal atoms of 0.018
Uanis(C33) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
4.a Riding coordinates:
 C305(H14,H15,H16), C7(H17,H18,H19), C352(H24,H25,H26), C109(H10A,H10B,H10C),
 C103(H10D,H10E,H10F), C111(H30,H31,H32), C223(H33,H34,H35), C350(H35C,H35D,
 H35E), C73(H73A,H73B,H73C), C145(H14A,H14B,H14C), C261(H58,H59,H60), C33(H33C,
 H33D,H33E), C233(H23A,H23B,H23C)
4.b Secondary CH2 refined with riding coordinates:
 C262(HN,HO), C270(HP,HQ), C280(H28A,H28B), C284(HR,HS), C220(HT,HU),
 C307(H30A,H30B), C321(H32A,H32B), C319(HV,HW), C313(HX,HY), C357(H35A,H35B),
 C337(HZ,H1), C43(H4,H5), C169(H7,H8), C343(H9,H10), C331(H33A,H33B), C177(H17A,
 H17B), C213(H21D,H21E), C340(H34A,H34B), C95(H39,H40), C193(H19A,H19B),
 C13(H13A,H13B), C135(H13C,H13D), C133(H13E,H13F), C273(H61,H63)
4.c Aromatic/amide H refined with riding coordinates:
 C164(H), C118(HA), C126(HB), C70(HC), C96(H96), C142(H142), C158(H158),
 C138(H138), C124(HD), C4(HE), C134(HF), C92(H92), C62(H62), C146(H146),
 C160(H160), C66(HG), C74(HH), C190(HI), C324(HJ), C320(HK), C294(H294),
 C228(H228), C240(H240), C224(H224), C198(HL), C222(H222), C226(H226),
 C242(H242), C244(H244), C296(HM), C252(H252), C194(H194), C274(H274),
 C254(H254), C306(H306), C196(H196), C268(H268), C308(H308), C316(H316),
 C206(H206), C157(H157), C21(H21), C335(H335), C301(H301), C77(H77), C303(H2),
 C83(H3), C317(H6), C289(H44), C263(H45), C2(H46), C139(H47), C137(H48),
 C277(H49), C267(H50), C253(H51), C363(H52), C119(H53), C257(H54), C141(H55),
 C115(H56), C65(H57)
4.d Fitted hexagon refined as free rotating group:
 N22(C164,C118,C88,C126,C70), N28(C96,C142,C106,C158,C138), C10(C124,C100,C4,
 C120,C134), C92(C108,C62,C176,C146,C136), C232(C294,C228,N314,C240,C224),
 C250(C252,C194,C274,C254,C306), C173(C157,C21,C335,C301,C77), C143(C289,C263,
 C2,C139,C137), C127(C277,C267,N129,C253,C363), C125(C119,C257,C141,C115,C65)
4.e Idealised Me refined as rotating group:
 C167(H11,H12,H13), C45(H45A,H45B,H45C), C181(H18A,H18B,H18C), C215(H21A,H21B,
 H21C), C217(H20,H22,H23), C51(H27,H28,H29), C346(H36,H37,H38), C99(H99A,H99B,
 H99C), C113(H11A,H11B,H11C), C31(H41,H42,H43), C239(H64,H65,H66)
;
_platon_squeeze_special_details
;
A solvent mask was calculated and 4190 electrons were 
found in a volume of 17368Å³ in 4 voids per unit cell. 
This is consistent with the presence of 
13[C2H3N], 5[C6H14O], per Asymmetric Unit 
which account for 4608 electrons 
per unit cell.
;
_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt16 Pt 0.31809(2) 0.58470(2) 0.26009(2) 0.1028(2) Uani 1 1 d . U . . .
Pt44 Pt 0.19196(2) 0.33462(2) 0.12379(2) 0.1023(2) Uani 1 1 d . U . . .
Pt36 Pt 0.43191(2) 0.22008(2) 0.44517(3) 0.1268(3) Uani 1 1 d . U . . .
Pt46 Pt 0.26329(2) -0.02997(2) 0.08139(3) 0.1275(3) Uani 1 1 d . U . . .
P38 P 0.18752(10) 0.40894(15) 0.14555(17) 0.1211(12) Uani 1 1 d D U . . .
P26 P 0.13437(10) 0.31345(17) 0.06804(16) 0.1239(13) Uani 1 1 d D U . . .
P8 P 0.29197(12) 0.65868(15) 0.22931(15) 0.1249(13) Uani 1 1 d D U . . .
P14 P 0.31642(12) 0.56362(18) 0.20061(15) 0.1287(13) Uani 1 1 d D U . . .
P12 P 0.43490(13) 0.18934(18) 0.39277(18) 0.1416(15) Uani 1 1 d D U . . .
P40 P 0.20787(14) -0.06085(18) 0.0232(2) 0.1428(14) Uani 1 1 d D U . . .
P24 P 0.44165(14) 0.14853(19) 0.4838(2) 0.1521(17) Uani 1 1 d D U . . .
P18 P 0.29250(14) -0.10109(19) 0.1008(2) 0.1552(17) Uani 1 1 d D U . . .
O20 O 0.1993(2) 0.2731(3) 0.0997(3) 0.0985(19) Uani 1 1 d D U . . .
O48 O 0.3503(2) 0.5225(3) 0.2993(3) 0.102(2) Uani 1 1 d D U . . .
O42 O 0.4263(2) 0.2906(3) 0.4180(4) 0.122(3) Uani 1 1 d D U . . .
N22 N 0.3285(2) 0.5935(3) 0.3244(2) 0.104(2) Uani 1 1 d . U . . .
C164 C 0.30588(17) 0.5717(3) 0.3264(2) 0.100(3) Uani 1 1 d G U . . .
H H 0.2823 0.5640 0.2964 0.120 Uiso 1 1 calc R . . . .
C118 C 0.3177(2) 0.5614(3) 0.3721(3) 0.103(3) Uani 1 1 d G U . . .
HA H 0.3023 0.5465 0.3735 0.123 Uiso 1 1 calc R . . . .
C88 C 0.3522(2) 0.5727(3) 0.4160(2) 0.105(2) Uani 1 1 d DG U . . .
C126 C 0.37483(18) 0.5945(4) 0.4140(2) 0.111(3) Uani 1 1 d G U . . .
HB H 0.3984 0.6023 0.4440 0.133 Uiso 1 1 calc R . . . .
C70 C 0.36299(19) 0.6049(3) 0.3683(3) 0.111(3) Uani 1 1 d G U . . .
HC H 0.3785 0.6198 0.3670 0.134 Uiso 1 1 calc R . . . .
O50 O 0.2418(3) 0.0415(3) 0.0651(4) 0.113(2) Uani 1 1 d D U . . .
N28 N 0.24602(13) 0.3435(3) 0.1681(3) 0.094(2) Uani 1 1 d . U . . .
C96 C 0.27033(19) 0.3213(3) 0.2149(3) 0.099(3) Uani 1 1 d G U . . .
H96 H 0.2638 0.3131 0.2319 0.119 Uiso 1 1 calc R . . . .
C142 C 0.30425(17) 0.3110(3) 0.2368(2) 0.102(3) Uani 1 1 d G U . . .
H142 H 0.3209 0.2958 0.2688 0.122 Uiso 1 1 calc R . . . .
C106 C 0.31386(15) 0.3230(3) 0.2119(3) 0.106(3) Uani 1 1 d DG U . . .
C158 C 0.2895(2) 0.3452(3) 0.1652(3) 0.100(3) Uani 1 1 d G U . . .
H158 H 0.2961 0.3533 0.1482 0.120 Uiso 1 1 calc R . . . .
C138 C 0.25563(17) 0.3555(3) 0.1433(2) 0.110(3) Uani 1 1 d G U . . .
H138 H 0.2390 0.3706 0.1113 0.132 Uiso 1 1 calc R . . . .
O30 O 0.3686(2) 0.2964(3) 0.3634(4) 0.132(3) Uani 1 1 d D U . . .
O52 O 0.2455(3) 0.0472(3) 0.1270(4) 0.124(3) Uani 1 1 d D U . . .
O32 O 0.3120(2) 0.4641(4) 0.2788(4) 0.134(4) Uani 1 1 d D U . . .
N34 N 0.4103(3) 0.3150(5) 0.2791(5) 0.119(3) Uani 1 1 d . U . . .
C10 C 0.4008(2) 0.3701(2) 0.3861(3) 0.103(3) Uani 1 1 d . U . . .
C124 C 0.37113(16) 0.3977(3) 0.3474(3) 0.100(3) Uani 1 1 d G U . . .
HD H 0.3491 0.3814 0.3225 0.120 Uiso 1 1 calc R . . . .
C100 C 0.37371(17) 0.4492(3) 0.3452(3) 0.097(3) Uani 1 1 d G U . . .
C4 C 0.4060(2) 0.4731(2) 0.3816(3) 0.100(3) Uani 1 1 d G U . . .
HE H 0.4078 0.5083 0.3801 0.120 Uiso 1 1 calc R . . . .
C120 C 0.43568(16) 0.4455(3) 0.4203(3) 0.102(3) Uani 1 1 d G U . . .
C134 C 0.43310(17) 0.3940(3) 0.4225(3) 0.107(3) Uani 1 1 d G U . . .
HF H 0.4534 0.3751 0.4490 0.128 Uiso 1 1 calc R . . . .
N1 N 0.4359(3) 0.1775(6) 0.2649(5) 0.137(3) Uani 1 1 d . U . . .
O132 O 0.2165(3) 0.2159(3) 0.1544(4) 0.115(2) Uani 1 1 d D U . . .
N178 N 0.3910(3) 0.4732(5) 0.5141(5) 0.121(3) Uani 1 1 d . U . . .
N180 N 0.3820(3) 0.5675(5) 0.5422(5) 0.121(2) Uani 1 1 d . U . . .
C144 C 0.3983(2) 0.3152(5) 0.3891(5) 0.113(3) Uani 1 1 d D U . . .
C92 C 0.2260(3) 0.2234(2) 0.0705(3) 0.101(3) Uani 1 1 d . U . . .
H92 H 0.2229 0.2586 0.0657 0.122 Uiso 1 1 calc R . . . .
C108 C 0.2219(2) 0.1994(3) 0.0987(3) 0.096(2) Uani 1 1 d G U . . .
C62 C 0.2265(3) 0.1479(3) 0.1057(3) 0.100(2) Uani 1 1 d G U . . .
H62 H 0.2237 0.1315 0.1250 0.120 Uiso 1 1 calc R . . . .
C176 C 0.2352(3) 0.1203(2) 0.0845(4) 0.105(3) Uani 1 1 d G U . . .
C146 C 0.2393(3) 0.1442(3) 0.0562(3) 0.103(3) Uani 1 1 d G U . . .
H146 H 0.2452 0.1254 0.0417 0.124 Uiso 1 1 calc R . . . .
C136 C 0.2347(3) 0.1958(3) 0.0492(3) 0.100(2) Uani 1 1 d G U . . .
C130 C 0.3423(3) 0.4805(4) 0.3036(5) 0.099(3) Uani 1 1 d D U . . .
C114 C 0.3672(3) 0.5514(3) 0.4655(3) 0.114(3) Uani 1 1 d D U . . .
C166 C 0.34823(18) 0.3018(3) 0.2308(4) 0.109(3) Uani 1 1 d D U . . .
C122 C 0.3780(2) 0.3321(4) 0.2582(5) 0.112(3) Uani 1 1 d D U . . .
C116 C 0.2116(3) 0.2307(4) 0.1188(4) 0.098(3) Uani 1 1 d D U . . .
C170 C 0.3995(3) 0.4266(4) 0.5086(3) 0.123(3) Uani 1 1 d D U . . .
N110 N 0.3730(3) 0.2232(5) 0.2315(5) 0.116(3) Uani 1 1 d . U . . .
N112 N 0.4196(4) 0.4274(6) 0.6053(5) 0.143(3) Uani 1 1 d . U . . .
C68 C 0.3712(3) 0.5823(4) 0.4988(4) 0.115(3) Uani 1 1 d D U . . .
C182 C 0.4680(4) 0.4743(5) 0.4616(5) 0.110(3) Uani 1 1 d . U . . .
C152 C 0.3770(3) 0.5012(3) 0.4734(4) 0.114(3) Uani 1 1 d D U . . .
C140 C 0.4242(4) 0.3848(5) 0.5871(3) 0.138(3) Uani 1 1 d D U . . .
C150 C 0.4132(2) 0.1366(5) 0.2385(5) 0.137(3) Uani 1 1 d D U . . .
N154 N 0.4749(3) 0.2690(6) 0.3153(5) 0.144(3) Uani 1 1 d . U . . .
C160 C 0.3234(2) 0.1749(4) 0.1833(5) 0.122(3) Uani 1 1 d D U . . .
H160 H 0.3077 0.1475 0.1646 0.146 Uiso 1 1 calc R . . . .
C60 C 0.3461(3) 0.2520(3) 0.2180(5) 0.112(3) Uani 1 1 d D U . . .
C72 C 0.2422(4) 0.2243(5) 0.0235(6) 0.106(3) Uani 1 1 d . U . . .
C66 C 0.3758(3) 0.4717(4) 0.4416(4) 0.116(3) Uani 1 1 d D U . . .
HG H 0.3665 0.4818 0.4102 0.139 Uiso 1 1 calc R . . . .
C74 C 0.3903(3) 0.4246(4) 0.4636(3) 0.123(3) Uani 1 1 d D U . . .
HH H 0.3933 0.3973 0.4508 0.147 Uiso 1 1 calc R . . . .
C78 C 0.3593(2) 0.1769(4) 0.2105(5) 0.127(3) Uani 1 1 d D U . . .
C82 C 0.2407(4) 0.0657(5) 0.0923(5) 0.111(3) Uani 1 1 d D U . . .
C80 C 0.3780(2) 0.1377(3) 0.2135(5) 0.129(3) Uani 1 1 d D U . . .
N188 N 0.4089(4) 0.5186(7) 0.6342(6) 0.151(3) Uani 1 1 d . U . . .
C186 C 0.4210(3) 0.4888(3) 0.6737(4) 0.155(3) Uani 1 1 d D U . . .
C190 C 0.4170(3) 0.5132(4) 0.7023(4) 0.151(4) Uani 1 1 d D U . . .
HI H 0.4226 0.5009 0.7307 0.182 Uiso 1 1 calc R . . . .
C324 C 0.4031(3) 0.5600(5) 0.6793(4) 0.147(3) Uani 1 1 d D U . . .
HJ H 0.3977 0.5862 0.6901 0.177 Uiso 1 1 calc R . . . .
C322 C 0.3982(4) 0.5623(5) 0.6378(3) 0.156(4) Uani 1 1 d D U . . .
C320 C 0.3604(3) 0.6324(4) 0.4900(4) 0.123(3) Uani 1 1 d D U . . .
HK H 0.3513 0.6526 0.4624 0.148 Uiso 1 1 calc R . . . .
C208 C 0.46912(19) 0.3514(4) 0.3327(5) 0.149(3) Uani 1 1 d D U . . .
C232 C 0.3575(2) 0.0885(3) 0.1887(4) 0.132(3) Uani 1 1 d D U . . .
C294 C 0.3478(3) 0.0596(4) 0.2080(3) 0.135(4) Uani 1 1 d G U . . .
H294 H 0.3575 0.0664 0.2403 0.162 Uiso 1 1 calc R . . . .
C228 C 0.3238(3) 0.0206(4) 0.1800(4) 0.129(3) Uani 1 1 d G U . . .
H228 H 0.3172 0.0008 0.1931 0.154 Uiso 1 1 calc R . . . .
N314 N 0.3096(2) 0.0106(3) 0.1327(4) 0.131(3) Uani 1 1 d G U . . .
C240 C 0.3193(3) 0.0396(4) 0.1134(3) 0.136(4) Uani 1 1 d G U . . .
H240 H 0.3095 0.0327 0.0811 0.164 Uiso 1 1 calc R . . . .
C224 C 0.3432(3) 0.0785(4) 0.1414(4) 0.137(4) Uani 1 1 d G U . . .
H224 H 0.3498 0.0983 0.1282 0.164 Uiso 1 1 calc R . . . .
C198 C 0.4762(4) 0.5193(6) 0.4548(6) 0.130(4) Uani 1 1 d . U . . .
HL H 0.4584 0.5350 0.4233 0.156 Uiso 1 1 calc R . . . .
C222 C 0.3158(3) 0.2222(4) 0.1898(5) 0.122(3) Uani 1 1 d D U . . .
H222 H 0.2937 0.2324 0.1771 0.146 Uiso 1 1 calc R . . . .
C226 C 0.3795(2) 0.3829(4) 0.2689(5) 0.121(3) Uani 1 1 d D U . . .
H226 H 0.3607 0.4034 0.2581 0.145 Uiso 1 1 calc R . . . .
C266 C 0.4334(2) 0.3555(5) 0.3048(5) 0.128(3) Uani 1 1 d D U . . .
C192 C 0.4146(3) 0.3868(3) 0.5420(3) 0.132(3) Uani 1 1 d D U . . .
C230 C 0.4886(2) 0.3119(5) 0.3382(6) 0.147(4) Uani 1 1 d D U . . .
C242 C 0.4147(2) 0.3972(4) 0.2987(5) 0.135(4) Uani 1 1 d D U . . .
H242 H 0.4242 0.4296 0.3123 0.162 Uiso 1 1 calc R . . . .
C244 C 0.4318(2) 0.0954(5) 0.2436(6) 0.147(4) Uani 1 1 d D U . . .
H244 H 0.4223 0.0632 0.2293 0.177 Uiso 1 1 calc R . . . .
C296 C 0.4938(4) 0.4572(6) 0.5122(5) 0.127(4) Uani 1 1 d . U . . .
HM H 0.4890 0.4288 0.5218 0.153 Uiso 1 1 calc R . . . .
C250 C 0.4926(3) 0.3938(4) 0.3701(5) 0.166(4) Uani 1 1 d D U . . .
C252 C 0.5021(4) 0.4315(6) 0.3562(4) 0.192(5) Uani 1 1 d G U . . .
H252 H 0.4947 0.4299 0.3249 0.230 Uiso 1 1 calc R . . . .
C194 C 0.5224(4) 0.4716(5) 0.3880(6) 0.201(6) Uani 1 1 d G U . . .
H194 H 0.5289 0.4974 0.3785 0.242 Uiso 1 1 calc R . . . .
C274 C 0.5332(3) 0.4740(4) 0.4338(5) 0.199(6) Uani 1 1 d G U . . .
H274 H 0.5470 0.5014 0.4556 0.239 Uiso 1 1 calc R . . . .
C254 C 0.5236(4) 0.4362(6) 0.4478(4) 0.195(6) Uani 1 1 d G U . . .
H254 H 0.5310 0.4378 0.4791 0.234 Uiso 1 1 calc R . . . .
C306 C 0.5033(3) 0.3961(5) 0.4159(5) 0.175(5) Uani 1 1 d G U . . .
H306 H 0.4968 0.3703 0.4255 0.210 Uiso 1 1 calc R . . . .
C196 C 0.5254(2) 0.3124(5) 0.3712(6) 0.153(4) Uani 1 1 d D U . . .
H196 H 0.5407 0.3399 0.3907 0.184 Uiso 1 1 calc R . . . .
C262 C 0.4565(3) 0.2323(6) 0.3854(5) 0.164(6) Uani 1 1 d D U . . .
HN H 0.4551 0.2191 0.3596 0.196 Uiso 1 1 calc R . . . .
HO H 0.4435 0.2645 0.3730 0.196 Uiso 1 1 calc R . . . .
C268 C 0.2261(4) 0.2672(6) -0.0006(6) 0.119(3) Uani 1 1 d . U . . .
H268 H 0.2099 0.2802 0.0001 0.143 Uiso 1 1 calc R . . . .
C302 C 0.5026(3) 0.2404(4) 0.3319(6) 0.153(4) Uani 1 1 d D U . . .
C270 C 0.24588(17) 0.6592(5) 0.1740(4) 0.171(7) Uani 1 1 d D U . . .
HP H 0.2363 0.6932 0.1684 0.206 Uiso 1 1 calc R . . . .
HQ H 0.2419 0.6502 0.1450 0.206 Uiso 1 1 calc DR . . . .
C280 C 0.1779(3) 0.4072(5) 0.1821(3) 0.156(5) Uani 1 1 d D U . . .
H28A H 0.1773 0.4415 0.1915 0.188 Uiso 1 1 calc DR . . . .
H28B H 0.1548 0.3909 0.1635 0.188 Uiso 1 1 calc R . . . .
C284 C 0.3147(4) 0.4969(2) 0.1963(4) 0.155(5) Uani 1 1 d D U . . .
HR H 0.3353 0.4827 0.2294 0.186 Uiso 1 1 calc R . . . .
HS H 0.2931 0.4850 0.1870 0.186 Uiso 1 1 calc R . . . .
C308 C 0.2309(4) 0.2942(6) -0.0264(6) 0.125(4) Uani 1 1 d . U . . .
H308 H 0.2174 0.3232 -0.0450 0.150 Uiso 1 1 calc R . . . .
C316 C 0.5351(3) 0.2643(5) 0.3697(6) 0.154(4) Uani 1 1 d D U . . .
H316 H 0.5581 0.2510 0.3895 0.185 Uiso 1 1 calc R . . . .
C204 C 0.3779(3) 0.6038(5) 0.5607(3) 0.129(3) Uani 1 1 d D U . . .
C206 C 0.4670(3) 0.1098(4) 0.2733(6) 0.160(4) Uani 1 1 d D U . . .
H206 H 0.4853 0.0888 0.2831 0.192 Uiso 1 1 calc R . . . .
C212 C 0.3865(3) 0.6016(4) 0.6050(3) 0.152(3) Uani 1 1 d D U . . .
C220 C 0.4840(2) 0.1201(5) 0.5210(7) 0.185(7) Uani 1 1 d D U . . .
HT H 0.4878 0.0978 0.5454 0.222 Uiso 1 1 calc R . . . .
HU H 0.4833 0.0987 0.4991 0.222 Uiso 1 1 calc R . . . .
C173 C 0.5317(2) 0.1598(6) 0.3384(5) 0.179(4) Uani 1 1 d D U . . .
C157 C 0.5429(3) 0.1176(6) 0.3679(6) 0.194(5) Uani 1 1 d G U . . .
H157 H 0.5291 0.1047 0.3728 0.233 Uiso 1 1 calc R . . . .
C21 C 0.5744(4) 0.0943(5) 0.3900(5) 0.196(6) Uani 1 1 d G U . . .
H21 H 0.5821 0.0655 0.4102 0.235 Uiso 1 1 calc R . . . .
C335 C 0.5947(3) 0.1133(6) 0.3828(6) 0.203(6) Uani 1 1 d G U . . .
H335 H 0.6162 0.0974 0.3979 0.244 Uiso 1 1 calc R . . . .
C301 C 0.5835(3) 0.1555(6) 0.3533(6) 0.196(6) Uani 1 1 d G U . . .
H301 H 0.5974 0.1685 0.3483 0.235 Uiso 1 1 calc R . . . .
C77 C 0.5520(4) 0.1788(5) 0.3311(5) 0.189(5) Uani 1 1 d G U . . .
H77 H 0.5444 0.2076 0.3109 0.227 Uiso 1 1 calc R . . . .
C323 C 0.4704(3) 0.1603(4) 0.2861(6) 0.156(4) Uani 1 1 d D U . . .
C79 C 0.4303(4) 0.4085(4) 0.6506(4) 0.157(4) Uani 1 1 d D U . . .
C307 C 0.2272(2) 0.4442(4) 0.1802(6) 0.143(5) Uani 1 1 d D U . . .
H30A H 0.2469 0.4250 0.2103 0.171 Uiso 1 1 calc R . . . .
H30B H 0.2322 0.4485 0.1596 0.171 Uiso 1 1 calc R . . . .
C321 C 0.1278(3) 0.2476(2) 0.0666(7) 0.171(6) Uani 1 1 d D U . . .
H32A H 0.1397 0.2294 0.0589 0.205 Uiso 1 1 calc R . . . .
H32B H 0.1381 0.2362 0.0994 0.205 Uiso 1 1 calc R . . . .
C319 C 0.2969(4) 0.6953(4) 0.2733(4) 0.136(4) Uani 1 1 d D U . . .
HV H 0.2850 0.6774 0.2810 0.163 Uiso 1 1 calc R . . . .
HW H 0.3223 0.6968 0.3045 0.163 Uiso 1 1 calc R . . . .
C313 C 0.4073(2) 0.1033(4) 0.4450(5) 0.193(7) Uani 1 1 d D U . . .
HX H 0.4057 0.0946 0.4180 0.231 Uiso 1 1 calc R . . . .
HY H 0.4149 0.0726 0.4651 0.231 Uiso 1 1 calc R . . . .
C297 C 0.5002(2) 0.1898(4) 0.3211(6) 0.163(4) Uani 1 1 d D U . . .
C357 C 0.1772(3) -0.0177(4) -0.0262(4) 0.174(5) Uani 1 1 d D U . . .
H35A H 0.1530 -0.0311 -0.0477 0.209 Uiso 1 1 calc DR . . . .
H35B H 0.1785 0.0145 -0.0120 0.209 Uiso 1 1 calc R . . . .
C337 C 0.3931(3) 0.1874(7) 0.3295(3) 0.189(7) Uani 1 1 d D U . . .
HZ H 0.3821 0.2209 0.3207 0.227 Uiso 1 1 calc R . . . .
H1 H 0.3973 0.1812 0.3082 0.227 Uiso 1 1 calc R . . . .
C303 C 0.3658(3) 0.6464(4) 0.5307(3) 0.138(4) Uani 1 1 d D U . . .
H2 H 0.3620 0.6786 0.5367 0.165 Uiso 1 1 calc R . . . .
C83 C 0.4416(4) 0.3587(4) 0.6590(4) 0.159(4) Uani 1 1 d D U . . .
H3 H 0.4500 0.3383 0.6860 0.191 Uiso 1 1 calc R . . . .
C43 C 0.4558(3) 0.1316(4) 0.4025(4) 0.168(6) Uani 1 1 d D U . . .
H4 H 0.4812 0.1343 0.4338 0.201 Uiso 1 1 calc R . . . .
H5 H 0.4457 0.1048 0.4074 0.201 Uiso 1 1 calc R . . . .
C317 C 0.4384(4) 0.3446(5) 0.6203(4) 0.153(4) Uani 1 1 d D U . . .
H6 H 0.4447 0.3129 0.6170 0.183 Uiso 1 1 calc R . . . .
C169 C 0.3559(2) 0.5876(7) 0.2206(6) 0.167(5) Uani 1 1 d D U . . .
H7 H 0.3547 0.5833 0.1935 0.201 Uiso 1 1 calc R . . . .
H8 H 0.3575 0.6240 0.2272 0.201 Uiso 1 1 calc R . . . .
C343 C 0.3072(3) 0.6958(5) 0.2084(4) 0.156(5) Uani 1 1 d D U . . .
H9 H 0.3054 0.6759 0.1845 0.187 Uiso 1 1 calc DR . . . .
H10 H 0.2917 0.7254 0.1904 0.187 Uiso 1 1 calc R . . . .
C331 C 0.1511(2) 0.4466(5) 0.0957(4) 0.164(6) Uani 1 1 d D U . . .
H33A H 0.1290 0.4272 0.0762 0.197 Uiso 1 1 calc DR . . . .
H33B H 0.1494 0.4765 0.1094 0.197 Uiso 1 1 calc R . . . .
C167 C 0.4952(4) 0.2428(10) 0.4326(8) 0.228(11) Uani 1 1 d D U . . .
H11 H 0.5068 0.2576 0.4234 0.343 Uiso 1 1 calc GR . . . .
H12 H 0.5070 0.2113 0.4505 0.343 Uiso 1 1 calc GR . . . .
H13 H 0.4967 0.2661 0.4540 0.343 Uiso 1 1 calc GR . . . .
C177 C 0.1980(3) -0.1191(4) -0.0076(6) 0.175(6) Uani 1 1 d D U . . .
H17A H 0.2088 -0.1187 -0.0207 0.210 Uiso 1 1 calc R . . . .
H17B H 0.2097 -0.1461 0.0176 0.210 Uiso 1 1 calc R . . . .
C305 C 0.2828(6) 0.7490(4) 0.2585(7) 0.178(7) Uani 1 1 d D U . . .
H14 H 0.2590 0.7495 0.2247 0.267 Uiso 1 1 d R . . . .
H15 H 0.2986 0.7694 0.2596 0.267 Uiso 1 1 d R . . . .
H16 H 0.2821 0.7627 0.2818 0.267 Uiso 1 1 d R . . . .
C45 C 0.1291(3) 0.3087(8) -0.0090(5) 0.183(8) Uani 1 1 d D U . . .
H45A H 0.1140 0.3147 -0.0446 0.275 Uiso 1 1 calc GR . . . .
H45B H 0.1310 0.2726 -0.0029 0.275 Uiso 1 1 calc GR . . . .
H45C H 0.1525 0.3227 0.0100 0.275 Uiso 1 1 calc GR . . . .
C181 C 0.1555(3) 0.4630(9) 0.0617(4) 0.211(10) Uani 1 1 d D U . . .
H18A H 0.1360 0.4850 0.0355 0.317 Uiso 1 1 calc GR . . . .
H18B H 0.1556 0.4334 0.0464 0.317 Uiso 1 1 calc GR . . . .
H18C H 0.1779 0.4811 0.0813 0.317 Uiso 1 1 calc GR . . . .
C215 C 0.2256(4) 0.4958(4) 0.1960(7) 0.182(8) Uani 1 1 d D U . . .
H21A H 0.2115 0.5185 0.1673 0.274 Uiso 1 1 calc GR . . . .
H21B H 0.2495 0.5092 0.2224 0.274 Uiso 1 1 calc GR . . . .
H21C H 0.2146 0.4928 0.2084 0.274 Uiso 1 1 calc DGR . . . .
C7 C 0.3453(3) 0.7138(8) 0.2505(6) 0.185(7) Uani 1 1 d D U . . .
H17 H 0.3611 0.6854 0.2618 0.278 Uiso 1 1 d R . . . .
H18 H 0.3486 0.7257 0.2780 0.278 Uiso 1 1 d R . . . .
H19 H 0.3507 0.7409 0.2393 0.278 Uiso 1 1 d R . . . .
C217 C 0.2270(4) 0.6217(7) 0.1791(6) 0.218(10) Uani 1 1 d D U . . .
H20 H 0.2168 0.6393 0.1893 0.327 Uiso 1 1 calc GR . . . .
H22 H 0.2438 0.5965 0.2042 0.327 Uiso 1 1 calc GR . . . .
H23 H 0.2081 0.6051 0.1470 0.327 Uiso 1 1 calc GR . . . .
C352 C 0.3889(4) 0.5616(8) 0.2675(6) 0.183(7) Uani 1 1 d D U . . .
H24 H 0.3866 0.5252 0.2624 0.275 Uiso 1 1 d R . . . .
H25 H 0.3912 0.5698 0.2950 0.275 Uiso 1 1 d R . . . .
H26 H 0.4098 0.5732 0.2756 0.275 Uiso 1 1 d R . . . .
C213 C 0.1128(3) 0.3340(6) 0.0072(3) 0.181(7) Uani 1 1 d D U . . .
H21D H 0.0874 0.3257 -0.0167 0.218 Uiso 1 1 calc R . . . .
H21E H 0.1151 0.3708 0.0073 0.218 Uiso 1 1 calc R . . . .
C51 C 0.3668(4) 0.1484(7) 0.3166(8) 0.226(11) Uani 1 1 d D U . . .
H27 H 0.3565 0.1305 0.2863 0.339 Uiso 1 1 calc GR . . . .
H28 H 0.3480 0.1651 0.3112 0.339 Uiso 1 1 calc GR . . . .
H29 H 0.3789 0.1245 0.3442 0.339 Uiso 1 1 calc GR . . . .
C109 C 0.0883(3) 0.2368(6) 0.0265(8) 0.212(10) Uani 1 1 d D U . . .
H10A H 0.0760 0.2595 -0.0020 0.318 Uiso 1 1 d R . . . .
H10B H 0.0781 0.2401 0.0401 0.318 Uiso 1 1 d DR . . . .
H10C H 0.0857 0.2022 0.0157 0.318 Uiso 1 1 d R . . . .
C103 C 0.2078(5) 0.3766(7) 0.2283(6) 0.207(9) Uani 1 1 d D U . . .
H10D H 0.1913 0.3491 0.2163 0.310 Uiso 1 1 d R . . . .
H10E H 0.2159 0.3904 0.2589 0.310 Uiso 1 1 d R . . . .
H10F H 0.2281 0.3641 0.2351 0.310 Uiso 1 1 d R . . . .
C111 C 0.5158(4) 0.1550(6) 0.5497(9) 0.251(14) Uani 1 1 d D U . . .
H30 H 0.5219 0.1579 0.5306 0.376 Uiso 1 1 d R . . . .
H31 H 0.5358 0.1405 0.5825 0.376 Uiso 1 1 d R . . . .
H32 H 0.5104 0.1882 0.5539 0.376 Uiso 1 1 d R . . . .
C223 C 0.3701(3) 0.1160(8) 0.4207(8) 0.209(9) Uani 1 1 d D U . . .
H33 H 0.3536 0.0996 0.3881 0.314 Uiso 1 1 d R . . . .
H34 H 0.3662 0.1523 0.4164 0.314 Uiso 1 1 d R . . . .
H35 H 0.3664 0.1035 0.4411 0.314 Uiso 1 1 d R . . . .
C340 C 0.33890(17) -0.0902(7) 0.1482(7) 0.233(9) Uani 1 1 d D U . . .
H34A H 0.3431 -0.0574 0.1409 0.280 Uiso 1 1 calc R . . . .
H34B H 0.3455 -0.0864 0.1799 0.280 Uiso 1 1 calc R . . . .
C346 C 0.4528(4) 0.1154(9) 0.3608(4) 0.194(8) Uani 1 1 d D U . . .
H36 H 0.4314 0.0953 0.3364 0.291 Uiso 1 1 calc GR . . . .
H37 H 0.4734 0.0954 0.3749 0.291 Uiso 1 1 calc GR . . . .
H38 H 0.4515 0.1452 0.3445 0.291 Uiso 1 1 calc GR . . . .
C350 C 0.1591(3) -0.1329(6) -0.0505(4) 0.256(13) Uani 1 1 d D U . . .
H35C H 0.1479 -0.1299 -0.0848 0.385 Uiso 1 1 d DR . . . .
H35D H 0.1484 -0.1087 -0.0448 0.385 Uiso 1 1 d DR . . . .
H35E H 0.1557 -0.1669 -0.0448 0.385 Uiso 1 1 d R . . . .
C95 C 0.4356(3) 0.1538(6) 0.5243(4) 0.219(8) Uani 1 1 d D U . . .
H39 H 0.4545 0.1763 0.5517 0.263 Uiso 1 1 calc R . . . .
H40 H 0.4131 0.1722 0.5054 0.263 Uiso 1 1 calc R . . . .
C193 C 0.2879(4) -0.1488(5) 0.1289(4) 0.186(7) Uani 1 1 d D U . . .
H19A H 0.2627 -0.1570 0.1070 0.224 Uiso 1 1 calc R . . . .
H19B H 0.3002 -0.1796 0.1333 0.224 Uiso 1 1 calc R . . . .
C99 C 0.1851(4) -0.0087(10) -0.0575(5) 0.215(9) Uani 1 1 d D U . . .
H99A H 0.1682 -0.0276 -0.0887 0.322 Uiso 1 1 calc GR . . . .
H99B H 0.2091 -0.0198 -0.0390 0.322 Uiso 1 1 calc GR . . . .
H99C H 0.1829 0.0271 -0.0650 0.322 Uiso 1 1 calc GR . . . .
C13 C 0.1864(3) -0.0639(7) 0.0437(4) 0.184(6) Uani 1 1 d D U . . .
H13A H 0.1815 -0.0289 0.0459 0.221 Uiso 1 1 calc R . . . .
H13B H 0.1632 -0.0798 0.0163 0.221 Uiso 1 1 calc R . . . .
C113 C 0.2866(4) -0.0957(6) 0.0257(6) 0.217(10) Uani 1 1 d D U . . .
H11A H 0.2831 -0.1121 -0.0007 0.325 Uiso 1 1 calc GR . . . .
H11B H 0.3105 -0.0818 0.0507 0.325 Uiso 1 1 calc GR . . . .
H11C H 0.2694 -0.0687 0.0113 0.325 Uiso 1 1 calc GR . . . .
C73 C 0.3036(6) -0.1310(8) 0.1796(4) 0.219(11) Uani 1 1 d D U . . .
H73A H 0.3064 -0.0945 0.1814 0.329 Uiso 1 1 d R . . . .
H73B H 0.3266 -0.1466 0.2064 0.329 Uiso 1 1 d R . . . .
H73C H 0.2876 -0.1399 0.1830 0.329 Uiso 1 1 d R . . . .
C145 C 0.2020(6) -0.0897(9) 0.0917(5) 0.245(11) Uani 1 1 d D U . . .
H14A H 0.1831 -0.0957 0.0899 0.367 Uiso 1 1 d R . . . .
H14B H 0.2219 -0.0734 0.1234 0.367 Uiso 1 1 d R . . . .
H14C H 0.2098 -0.1218 0.0895 0.367 Uiso 1 1 d R . . . .
C135 C 0.2818(3) -0.1341(5) 0.0505(3) 0.166(5) Uani 1 1 d D U . . .
H13C H 0.2977 -0.1630 0.0630 0.199 Uiso 1 1 calc R . . . .
H13D H 0.2571 -0.1462 0.0267 0.199 Uiso 1 1 calc R . . . .
C31 C 0.3145(4) 0.4779(9) 0.1581(4) 0.222(10) Uani 1 1 d D U . . .
H41 H 0.2905 0.4794 0.1247 0.332 Uiso 1 1 calc GR . . . .
H42 H 0.3230 0.4432 0.1659 0.332 Uiso 1 1 calc GR . . . .
H43 H 0.3301 0.4990 0.1591 0.332 Uiso 1 1 calc GR . . . .
C133 C 0.1049(2) 0.3281(5) 0.0740(4) 0.185(6) Uani 1 1 d D U . . .
H13E H 0.1072 0.3638 0.0828 0.222 Uiso 1 1 calc DR . . . .
H13F H 0.0803 0.3219 0.0420 0.222 Uiso 1 1 calc DR . . . .
C143 C 0.3743(3) 0.6419(5) 0.6191(5) 0.168(4) Uani 1 1 d D U . . .
C289 C 0.3984(3) 0.6783(6) 0.6535(5) 0.188(5) Uani 1 1 d G U . . .
H44 H 0.4227 0.6743 0.6725 0.226 Uiso 1 1 calc R . . . .
C263 C 0.3868(4) 0.7205(5) 0.6602(5) 0.197(6) Uani 1 1 d G U . . .
H45 H 0.4033 0.7453 0.6837 0.237 Uiso 1 1 calc R . . . .
C2 C 0.3512(4) 0.7263(5) 0.6324(6) 0.192(5) Uani 1 1 d G U . . .
H46 H 0.3434 0.7552 0.6369 0.230 Uiso 1 1 calc R . . . .
C139 C 0.3272(3) 0.6900(6) 0.5979(5) 0.186(5) Uani 1 1 d G U . . .
H47 H 0.3029 0.6939 0.5790 0.223 Uiso 1 1 calc R . . . .
C137 C 0.3387(3) 0.6477(5) 0.5913(4) 0.169(4) Uani 1 1 d G U . . .
H48 H 0.3223 0.6229 0.5678 0.203 Uiso 1 1 calc R . . . .
C127 C 0.4193(3) 0.3378(3) 0.5260(4) 0.129(3) Uani 1 1 d D U . . .
C277 C 0.3902(2) 0.3089(4) 0.4881(4) 0.136(4) Uani 1 1 d G U . . .
H49 H 0.3679 0.3157 0.4763 0.164 Uiso 1 1 calc R . . . .
C267 C 0.3936(2) 0.2699(3) 0.4675(3) 0.132(4) Uani 1 1 d G U . . .
H50 H 0.3738 0.2501 0.4415 0.158 Uiso 1 1 calc R . . . .
N129 N 0.4263(3) 0.2599(3) 0.4847(4) 0.134(3) Uani 1 1 d G U . . .
C253 C 0.4554(2) 0.2889(4) 0.5226(4) 0.145(4) Uani 1 1 d G U . . .
H51 H 0.4777 0.2821 0.5344 0.175 Uiso 1 1 calc R . . . .
C363 C 0.4519(2) 0.3279(4) 0.5433(3) 0.135(4) Uani 1 1 d G U . . .
H52 H 0.4718 0.3477 0.5692 0.162 Uiso 1 1 calc R . . . .
C29 C 0.4333(3) 0.4398(3) 0.6829(3) 0.181(4) Uani 1 1 d D U . . .
C125 C 0.4238(2) 0.4065(5) 0.7051(3) 0.245(6) Uani 1 1 d D U . . .
C119 C 0.3886(2) 0.3937(5) 0.6751(4) 0.271(7) Uani 1 1 d DG U . . .
H53 H 0.3706 0.4135 0.6467 0.325 Uiso 1 1 calc DR . . . .
C257 C 0.3799(4) 0.3521(6) 0.6866(6) 0.295(8) Uani 1 1 d G U . . .
H54 H 0.3558 0.3434 0.6661 0.354 Uiso 1 1 calc R . . . .
C141 C 0.4063(5) 0.3232(5) 0.7282(5) 0.299(8) Uani 1 1 d G U . . .
H55 H 0.4003 0.2948 0.7361 0.359 Uiso 1 1 calc R . . . .
C115 C 0.4415(4) 0.3360(4) 0.7582(4) 0.291(8) Uani 1 1 d G U . . .
H56 H 0.4595 0.3162 0.7866 0.349 Uiso 1 1 calc R . . . .
C65 C 0.4502(3) 0.3776(6) 0.7466(3) 0.277(7) Uani 1 1 d DG U . . .
H57 H 0.4743 0.3863 0.7671 0.333 Uiso 1 1 calc R . . . .
C261 C 0.4345(6) 0.1097(7) 0.5490(6) 0.37(2) Uani 1 1 d D U . . .
H58 H 0.4406 0.0844 0.5374 0.551 Uiso 1 1 d R . . . .
H59 H 0.4119 0.1008 0.5377 0.551 Uiso 1 1 d R . . . .
H60 H 0.4529 0.1110 0.5855 0.551 Uiso 1 1 d R . . . .
C33 C 0.1142(4) 0.2949(6) 0.1149(4) 0.274(11) Uani 1 1 d D U . . .
H33C H 0.1340 0.3140 0.1443 0.411 Uiso 1 1 d R . . . .
H33D H 0.1184 0.2590 0.1226 0.411 Uiso 1 1 d R . . . .
H33E H 0.0924 0.3047 0.1051 0.411 Uiso 1 1 d R . . . .
C233 C 0.3649(3) -0.1274(7) 0.1578(7) 0.311(14) Uani 1 1 d D U . . .
H23A H 0.3527 -0.1452 0.1266 0.467 Uiso 1 1 d R . . . .
H23B H 0.3689 -0.1502 0.1816 0.467 Uiso 1 1 d R . . . .
H23C H 0.3876 -0.1149 0.1716 0.467 Uiso 1 1 d R . . . .
C273 C 0.2745(3) 0.5811(5) 0.1414(3) 0.243(9) Uani 1 1 d D U . . .
H61 H 0.2793 0.6176 0.1451 0.292 Uiso 1 1 calc DR . . . .
H63 H 0.2790 0.5696 0.1215 0.292 Uiso 1 1 calc R . . . .
C239 C 0.2344(2) 0.5853(9) 0.0979(5) 0.320(14) Uani 1 1 d D U . . .
H64 H 0.2260 0.5597 0.0730 0.479 Uiso 1 1 calc GR . . . .
H65 H 0.2283 0.6186 0.0828 0.479 Uiso 1 1 calc DGR . . . .
H66 H 0.2234 0.5803 0.1100 0.479 Uiso 1 1 calc DGR . . . .
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'
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
P8 Pt16 P14 97.49(16) . . ?
O48 Pt16 P8 170.0(3) . . ?
O48 Pt16 P14 86.7(3) . . ?
O48 Pt16 N22 81.5(3) . . ?
N22 Pt16 P8 93.7(2) . . ?
N22 Pt16 P14 167.9(3) . . ?
P38 Pt44 P26 97.93(15) . . ?
O20 Pt44 P38 170.1(3) . . ?
O20 Pt44 P26 87.0(3) . . ?
O20 Pt44 N28 81.8(3) . . ?
N28 Pt44 P38 92.8(2) . . ?
N28 Pt44 P26 168.5(2) . . ?
P24 Pt36 P12 97.8(2) . . ?
O42 Pt36 P12 88.2(4) . . ?
O42 Pt36 P24 172.7(3) . . ?
N129 Pt36 P12 169.0(3) . . ?
N129 Pt36 P24 93.0(3) . . ?
N129 Pt36 O42 81.0(4) . . ?
P18 Pt46 P40 98.25(19) . . ?
O50 Pt46 P40 88.6(3) . . ?
O50 Pt46 P18 171.7(3) . . ?
N314 Pt46 P40 169.5(3) . . ?
N314 Pt46 P18 92.2(3) . . ?
N314 Pt46 O50 81.0(4) . . ?
C280 P38 Pt44 115.4(5) . . ?
C307 P38 Pt44 111.1(4) . . ?
C307 P38 C280 106.7(7) . . ?
C307 P38 C331 109.1(7) . . ?
C331 P38 Pt44 115.7(6) . . ?
C331 P38 C280 97.9(7) . . ?
C321 P26 Pt44 112.6(4) . . ?
C213 P26 Pt44 110.1(5) . . ?
C213 P26 C321 109.1(9) . . ?
C133 P26 Pt44 124.9(4) . . ?
C133 P26 C321 92.8(8) . . ?
C133 P26 C213 105.7(6) . . ?
C270 P8 Pt16 117.5(5) . . ?
C270 P8 C319 105.3(7) . . ?
C270 P8 C343 99.2(7) . . ?
C319 P8 Pt16 112.0(4) . . ?
C319 P8 C343 107.3(7) . . ?
C343 P8 Pt16 114.3(5) . . ?
C284 P14 Pt16 107.5(5) . . ?
C284 P14 C169 111.6(9) . . ?
C284 P14 C273 102.0(7) . . ?
C169 P14 Pt16 106.5(7) . . ?
C273 P14 Pt16 108.5(6) . . ?
C273 P14 C169 120.1(8) . . ?
C262 P12 Pt36 111.0(7) . . ?
C262 P12 C337 98.4(7) . . ?
C262 P12 C43 101.9(9) . . ?
C337 P12 Pt36 113.1(8) . . ?
C43 P12 Pt36 123.8(5) . . ?
C43 P12 C337 105.2(8) . . ?
C357 P40 Pt46 113.0(5) . . ?
C357 P40 C177 104.4(8) . . ?
C357 P40 C13 95.0(7) . . ?
C177 P40 Pt46 122.4(5) . . ?
C13 P40 Pt46 113.3(5) . . ?
C13 P40 C177 105.0(9) . . ?
C220 P24 Pt36 117.5(6) . . ?
C313 P24 Pt36 114.2(6) . . ?
C313 P24 C220 111.0(7) . . ?
C313 P24 C95 93.2(9) . . ?
C95 P24 Pt36 113.3(6) . . ?
C95 P24 C220 104.6(9) . . ?
C340 P18 Pt46 110.4(6) . . ?
C340 P18 C193 101.2(10) . . ?
C340 P18 C135 109.1(9) . . ?
C193 P18 Pt46 116.5(6) . . ?
C135 P18 Pt46 116.4(5) . . ?
C135 P18 C193 102.0(7) . . ?
C116 O20 Pt44 131.1(8) . . ?
C130 O48 Pt16 128.5(8) . . ?
C144 O42 Pt36 125.2(9) . . ?
C164 N22 Pt16 119.1(4) . . ?
C164 N22 C70 120.0 . . ?
C70 N22 Pt16 117.1(4) . . ?
N22 C164 H 120.0 . . ?
N22 C164 C118 120.0 . . ?
C118 C164 H 120.0 . . ?
C164 C118 HA 120.0 . . ?
C88 C118 C164 120.0 . . ?
C88 C118 HA 120.0 . . ?
C118 C88 C126 120.0 . . ?
C118 C88 C114 119.2(7) . . ?
C126 C88 C114 119.5(7) . . ?
C88 C126 HB 120.0 . . ?
C70 C126 C88 120.0 . . ?
C70 C126 HB 120.0 . . ?
N22 C70 HC 120.0 . . ?
C126 C70 N22 120.0 . . ?
C126 C70 HC 120.0 . . ?
C82 O50 Pt46 124.4(8) . . ?
C96 N28 Pt44 119.7(4) . . ?
C96 N28 C138 120.0 . . ?
C138 N28 Pt44 116.3(4) . . ?
N28 C96 H96 120.0 . . ?
C142 C96 N28 120.0 . . ?
C142 C96 H96 120.0 . . ?
C96 C142 H142 120.0 . . ?
C96 C142 C106 120.0 . . ?
C106 C142 H142 120.0 . . ?
C142 C106 C166 119.6(7) . . ?
C158 C106 C142 120.0 . . ?
C158 C106 C166 119.2(7) . . ?
C106 C158 H158 120.0 . . ?
C138 C158 C106 120.0 . . ?
C138 C158 H158 120.0 . . ?
N28 C138 H138 120.0 . . ?
C158 C138 N28 120.0 . . ?
C158 C138 H138 120.0 . . ?
C122 N34 C266 106.2(10) . . ?
C124 C10 C134 120.0 . . ?
C124 C10 C144 120.4(6) . . ?
C134 C10 C144 119.6(6) . . ?
C10 C124 HD 120.0 . . ?
C100 C124 C10 120.0 . . ?
C100 C124 HD 120.0 . . ?
C124 C100 C4 120.0 . . ?
C124 C100 C130 121.8(6) . . ?
C4 C100 C130 118.2(6) . . ?
C100 C4 HE 120.0 . . ?
C120 C4 C100 120.0 . . ?
C120 C4 HE 120.0 . . ?
C4 C120 C182 116.8(7) . . ?
C134 C120 C4 120.0 . . ?
C134 C120 C182 122.7(7) . . ?
C10 C134 HF 120.0 . . ?
C120 C134 C10 120.0 . . ?
C120 C134 HF 120.0 . . ?
C150 N1 C323 105.5(10) . . ?
C152 N178 C170 107.3(10) . . ?
C204 N180 C68 110.1(11) . . ?
O42 C144 C10 117.8(9) . . ?
O30 C144 O42 123.8(12) . . ?
O30 C144 C10 118.4(9) . . ?
C108 C92 H92 120.0 . . ?
C136 C92 H92 120.0 . . ?
C136 C92 C108 120.0 . . ?
C92 C108 C116 117.1(6) . . ?
C62 C108 C92 120.0 . . ?
C62 C108 C116 122.9(6) . . ?
C108 C62 H62 120.0 . . ?
C108 C62 C176 120.0 . . ?
C176 C62 H62 120.0 . . ?
C62 C176 C82 120.6(6) . . ?
C146 C176 C62 120.0 . . ?
C146 C176 C82 119.4(6) . . ?
C176 C146 H146 120.0 . . ?
C176 C146 C136 120.0 . . ?
C136 C146 H146 120.0 . . ?
C92 C136 C72 117.3(7) . . ?
C146 C136 C92 120.0 . . ?
C146 C136 C72 122.4(7) . . ?
O48 C130 C100 113.8(9) . . ?
O32 C130 O48 126.8(12) . . ?
O32 C130 C100 119.4(9) . . ?
C68 C114 C88 119.9(8) . . ?
C152 C114 C88 114.5(8) . . ?
C152 C114 C68 125.5(7) . . ?
C122 C166 C106 120.0(8) . . ?
C122 C166 C60 125.7(8) . . ?
C60 C166 C106 114.3(7) . . ?
N34 C122 C166 123.3(9) . . ?
N34 C122 C226 111.2(8) . . ?
C166 C122 C226 125.5(9) . . ?
O20 C116 C108 116.8(9) . . ?
O132 C116 O20 122.5(12) . . ?
O132 C116 C108 120.6(9) . . ?
N178 C170 C74 110.1(9) . . ?
N178 C170 C192 125.9(10) . . ?
C192 C170 C74 124.0(10) . . ?
C78 N110 C60 107.3(9) . . ?
C140 N112 C79 103.4(11) . . ?
N180 C68 C114 125.8(9) . . ?
N180 C68 C320 108.5(9) . . ?
C114 C68 C320 125.2(9) . . ?
C198 C182 C120 123.2(12) . . ?
C198 C182 C296 113.4(13) . . ?
C296 C182 C120 123.4(12) . . ?
N178 C152 C114 126.4(9) . . ?
N178 C152 C66 108.6(9) . . ?
C114 C152 C66 124.9(9) . . ?
C192 C140 N112 121.0(10) . . ?
C192 C140 C317 128.8(11) . . ?
C317 C140 N112 110.2(10) . . ?
N1 C150 C244 109.9(9) . . ?
C80 C150 N1 123.1(10) . . ?
C80 C150 C244 127.0(11) . . ?
C230 N154 C302 105.1(10) . . ?
C78 C160 H160 127.7 . . ?
C78 C160 C222 104.7(9) . . ?
C222 C160 H160 127.7 . . ?
C166 C60 C222 125.1(9) . . ?
N110 C60 C166 126.7(9) . . ?
N110 C60 C222 108.2(9) . . ?
C268 C72 C136 122.9(13) . . ?
C268 C72 C308 118.1(14) . 7 ?
C308 C72 C136 119.0(12) 7 . ?
C152 C66 HG 125.6 . . ?
C74 C66 C152 108.8(8) . . ?
C74 C66 HG 125.6 . . ?
C170 C74 HH 127.4 . . ?
C66 C74 C170 105.2(8) . . ?
C66 C74 HH 127.4 . . ?
N110 C78 C160 110.9(9) . . ?
N110 C78 C80 124.8(9) . . ?
C80 C78 C160 124.2(10) . . ?
O50 C82 C176 117.6(9) . . ?
O52 C82 O50 124.4(12) . . ?
O52 C82 C176 117.9(9) . . ?
C150 C80 C78 128.4(8) . . ?
C150 C80 C232 116.0(9) . . ?
C78 C80 C232 115.5(8) . . ?
C322 N188 C186 107.4(11) . . ?
N188 C186 C190 110.8(10) . . ?
N188 C186 C29 126.0(12) . . ?
C29 C186 C190 123.1(10) . . ?
C186 C190 HI 128.1 . . ?
C324 C190 C186 103.9(10) . . ?
C324 C190 HI 128.1 . . ?
C190 C324 HJ 125.3 . . ?
C190 C324 C322 109.4(10) . . ?
C322 C324 HJ 125.3 . . ?
N188 C322 C324 108.6(11) . . ?
N188 C322 C212 121.2(11) . . ?
C212 C322 C324 130.1(12) . . ?
C68 C320 HK 127.4 . . ?
C303 C320 C68 105.2(8) . . ?
C303 C320 HK 127.4 . . ?
C266 C208 C230 131.1(9) . . ?
C266 C208 C250 115.7(10) . . ?
C230 C208 C250 112.5(9) . . ?
C294 C232 C80 121.6(10) . . ?
C294 C232 C224 120.0 . . ?
C224 C232 C80 117.4(10) . . ?
C232 C294 H294 120.0 . . ?
C232 C294 C228 120.0 . . ?
C228 C294 H294 120.0 . . ?
C294 C228 H228 120.0 . . ?
C294 C228 N314 120.0 . . ?
N314 C228 H228 120.0 . . ?
C228 N314 Pt46 121.0(6) . . ?
C240 N314 Pt46 116.1(6) . . ?
C240 N314 C228 120.0 . . ?
N314 C240 H240 120.0 . . ?
N314 C240 C224 120.0 . . ?
C224 C240 H240 120.0 . . ?
C232 C224 H224 120.0 . . ?
C240 C224 C232 120.0 . . ?
C240 C224 H224 120.0 . . ?
C182 C198 HL 117.1 . . ?
C296 C198 C182 125.8(15) 5_666 . ?
C296 C198 HL 117.1 5_666 . ?
C160 C222 H222 125.6 . . ?
C60 C222 C160 108.8(9) . . ?
C60 C222 H222 125.6 . . ?
C122 C226 H226 127.3 . . ?
C242 C226 C122 105.5(8) . . ?
C242 C226 H226 127.3 . . ?
N34 C266 C242 108.9(8) . . ?
C208 C266 N34 122.4(11) . . ?
C208 C266 C242 128.7(10) . . ?
C170 C192 C140 128.4(9) . . ?
C170 C192 C127 116.2(9) . . ?
C140 C192 C127 115.3(9) . . ?
N154 C230 C208 123.5(10) . . ?
N154 C230 C196 112.5(11) . . ?
C208 C230 C196 123.9(11) . . ?
C226 C242 C266 108.2(8) . . ?
C226 C242 H242 125.9 . . ?
C266 C242 H242 125.9 . . ?
C150 C244 H244 125.8 . . ?
C150 C244 C206 108.4(9) . . ?
C206 C244 H244 125.8 . . ?
C182 C296 HM 120.0 . . ?
C198 C296 C182 120.1(14) 5_666 . ?
C198 C296 HM 120.0 5_666 . ?
C252 C250 C208 117.6(12) . . ?
C252 C250 C306 120.0 . . ?
C306 C250 C208 122.4(12) . . ?
C250 C252 H252 120.0 . . ?
C194 C252 C250 120.0 . . ?
C194 C252 H252 120.0 . . ?
C252 C194 H194 120.0 . . ?
C252 C194 C274 120.0 . . ?
C274 C194 H194 120.0 . . ?
C194 C274 H274 120.0 . . ?
C254 C274 C194 120.0 . . ?
C254 C274 H274 120.0 . . ?
C274 C254 H254 120.0 . . ?
C306 C254 C274 120.0 . . ?
C306 C254 H254 120.0 . . ?
C250 C306 H306 120.0 . . ?
C254 C306 C250 120.0 . . ?
C254 C306 H306 120.0 . . ?
C230 C196 H196 126.9 . . ?
C316 C196 C230 106.2(10) . . ?
C316 C196 H196 126.9 . . ?
P12 C262 HN 108.4 . . ?
P12 C262 HO 108.4 . . ?
HN C262 HO 107.5 . . ?
C167 C262 P12 115.3(13) . . ?
C167 C262 HN 108.4 . . ?
C167 C262 HO 108.4 . . ?
C72 C268 H268 117.2 . . ?
C72 C268 C308 125.6(15) . . ?
C308 C268 H268 117.2 . . ?
N154 C302 C316 112.3(11) . . ?
N154 C302 C297 124.1(11) . . ?
C297 C302 C316 122.2(11) . . ?
P8 C270 HP 109.7 . . ?
P8 C270 HQ 109.7 . . ?
HP C270 HQ 108.2 . . ?
C217 C270 P8 109.6(9) . . ?
C217 C270 HP 109.7 . . ?
C217 C270 HQ 109.7 . . ?
P38 C280 H28A 110.7 . . ?
P38 C280 H28B 110.7 . . ?
H28A C280 H28B 108.8 . . ?
C103 C280 P38 105.1(12) . . ?
C103 C280 H28A 110.7 . . ?
C103 C280 H28B 110.7 . . ?
P14 C284 HR 109.1 . . ?
P14 C284 HS 109.1 . . ?
HR C284 HS 107.9 . . ?
C31 C284 P14 112.4(12) . . ?
C31 C284 HR 109.1 . . ?
C31 C284 HS 109.1 . . ?
C72 C308 H308 121.9 7 . ?
C268 C308 C72 116.2(14) . 7 ?
C268 C308 H308 121.9 . . ?
C196 C316 C302 103.4(10) . . ?
C196 C316 H316 128.3 . . ?
C302 C316 H316 128.3 . . ?
N180 C204 C212 125.3(11) . . ?
N180 C204 C303 109.0(9) . . ?
C212 C204 C303 125.6(11) . . ?
C244 C206 H206 125.8 . . ?
C323 C206 C244 108.4(10) . . ?
C323 C206 H206 125.8 . . ?
C322 C212 C143 104.6(10) . . ?
C204 C212 C322 131.8(10) . . ?
C204 C212 C143 121.9(10) . . ?
P24 C220 HT 107.9 . . ?
P24 C220 HU 107.9 . . ?
HT C220 HU 107.2 . . ?
C111 C220 P24 117.4(11) . . ?
C111 C220 HT 107.9 . . ?
C111 C220 HU 107.9 . . ?
C157 C173 C77 120.0 . . ?
C157 C173 C297 119.1(13) . . ?
C77 C173 C297 120.2(13) . . ?
C173 C157 H157 120.0 . . ?
C21 C157 C173 120.0 . . ?
C21 C157 H157 120.0 . . ?
C157 C21 H21 120.0 . . ?
C157 C21 C335 120.0 . . ?
C335 C21 H21 120.0 . . ?
C21 C335 H335 120.0 . . ?
C21 C335 C301 120.0 . . ?
C301 C335 H335 120.0 . . ?
C335 C301 H301 120.0 . . ?
C335 C301 C77 120.0 . . ?
C77 C301 H301 120.0 . . ?
C173 C77 H77 120.0 . . ?
C301 C77 C173 120.0 . . ?
C301 C77 H77 120.0 . . ?
C206 C323 N1 107.7(11) . . ?
C297 C323 N1 119.8(11) . . ?
C297 C323 C206 130.9(11) . . ?
C83 C79 N112 110.0(11) . . ?
C29 C79 N112 122.0(11) . . ?
C29 C79 C83 127.3(9) . . ?
P38 C307 H30A 108.9 . . ?
P38 C307 H30B 108.9 . . ?
H30A C307 H30B 107.7 . . ?
C215 C307 P38 113.3(8) . . ?
C215 C307 H30A 108.9 . . ?
C215 C307 H30B 108.9 . . ?
P26 C321 H32A 110.0 . . ?
P26 C321 H32B 110.0 . . ?
H32A C321 H32B 108.3 . . ?
C109 C321 P26 108.7(8) . . ?
C109 C321 H32A 110.0 . . ?
C109 C321 H32B 110.0 . . ?
P8 C319 HV 107.9 . . ?
P8 C319 HW 107.9 . . ?
HV C319 HW 107.2 . . ?
C305 C319 P8 117.5(9) . . ?
C305 C319 HV 107.9 . . ?
C305 C319 HW 107.9 . . ?
P24 C313 HX 107.5 . . ?
P24 C313 HY 107.5 . . ?
HX C313 HY 107.0 . . ?
C223 C313 P24 119.4(11) . . ?
C223 C313 HX 107.5 . . ?
C223 C313 HY 107.5 . . ?
C302 C297 C173 122.3(11) . . ?
C323 C297 C302 129.4(9) . . ?
C323 C297 C173 106.8(10) . . ?
P40 C357 H35A 109.4 . . ?
P40 C357 H35B 109.4 . . ?
H35A C357 H35B 108.0 . . ?
C99 C357 P40 111.3(11) . . ?
C99 C357 H35A 109.4 . . ?
C99 C357 H35B 109.4 . . ?
P12 C337 HZ 108.1 . . ?
P12 C337 H1 108.1 . . ?
HZ C337 H1 107.3 . . ?
C51 C337 P12 116.6(10) . . ?
C51 C337 HZ 108.1 . . ?
C51 C337 H1 108.1 . . ?
C320 C303 C204 107.2(9) . . ?
C320 C303 H2 126.4 . . ?
C204 C303 H2 126.4 . . ?
C79 C83 H3 126.1 . . ?
C317 C83 C79 107.7(11) . . ?
C317 C83 H3 126.1 . . ?
P12 C43 H4 108.3 . . ?
P12 C43 H5 108.3 . . ?
H4 C43 H5 107.4 . . ?
C346 C43 P12 115.8(11) . . ?
C346 C43 H4 108.3 . . ?
C346 C43 H5 108.3 . . ?
C140 C317 C83 108.7(10) . . ?
C140 C317 H6 125.7 . . ?
C83 C317 H6 125.7 . . ?
P14 C169 H7 109.1 . . ?
P14 C169 H8 109.1 . . ?
H7 C169 H8 107.9 . . ?
C352 C169 P14 112.4(10) . . ?
C352 C169 H7 109.1 . . ?
C352 C169 H8 109.1 . . ?
P8 C343 H9 108.8 . . ?
P8 C343 H10 108.8 . . ?
H9 C343 H10 107.7 . . ?
C7 C343 P8 113.6(9) . . ?
C7 C343 H9 108.8 . . ?
C7 C343 H10 108.8 . . ?
P38 C331 H33A 109.6 . . ?
P38 C331 H33B 109.6 . . ?
H33A C331 H33B 108.1 . . ?
C181 C331 P38 110.4(9) . . ?
C181 C331 H33A 109.6 . . ?
C181 C331 H33B 109.6 . . ?
C262 C167 H11 109.5 . . ?
C262 C167 H12 109.5 . . ?
C262 C167 H13 109.5 . . ?
H11 C167 H12 109.5 . . ?
H11 C167 H13 109.5 . . ?
H12 C167 H13 109.5 . . ?
P40 C177 H17A 108.0 . . ?
P40 C177 H17B 108.0 . . ?
H17A C177 H17B 107.2 . . ?
C350 C177 P40 117.2(9) . . ?
C350 C177 H17A 108.0 . . ?
C350 C177 H17B 108.0 . . ?
C319 C305 H14 109.9 . . ?
C319 C305 H15 108.5 . . ?
C319 C305 H16 110.0 . . ?
H14 C305 H15 109.4 . . ?
H14 C305 H16 109.6 . . ?
H15 C305 H16 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C213 C45 H45A 109.5 . . ?
C213 C45 H45B 109.5 . . ?
C213 C45 H45C 109.5 . . ?
C331 C181 H18A 109.5 . . ?
C331 C181 H18B 109.5 . . ?
C331 C181 H18C 109.5 . . ?
H18A C181 H18B 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
C307 C215 H21A 109.5 . . ?
C307 C215 H21B 109.5 . . ?
C307 C215 H21C 109.5 . . ?
H21A C215 H21B 109.5 . . ?
H21A C215 H21C 109.5 . . ?
H21B C215 H21C 109.5 . . ?
C343 C7 H17 108.5 . . ?
C343 C7 H18 108.6 . . ?
C343 C7 H19 111.3 . . ?
H17 C7 H18 109.4 . . ?
H17 C7 H19 109.5 . . ?
H18 C7 H19 109.5 . . ?
C270 C217 H20 109.5 . . ?
C270 C217 H22 109.5 . . ?
C270 C217 H23 109.5 . . ?
H20 C217 H22 109.5 . . ?
H20 C217 H23 109.5 . . ?
H22 C217 H23 109.5 . . ?
C169 C352 H24 109.8 . . ?
C169 C352 H25 108.1 . . ?
C169 C352 H26 110.5 . . ?
H24 C352 H25 109.5 . . ?
H24 C352 H26 109.5 . . ?
H25 C352 H26 109.5 . . ?
P26 C213 H21D 109.6 . . ?
P26 C213 H21E 109.6 . . ?
C45 C213 P26 110.4(10) . . ?
C45 C213 H21D 109.6 . . ?
C45 C213 H21E 109.6 . . ?
H21D C213 H21E 108.1 . . ?
C337 C51 H27 109.5 . . ?
C337 C51 H28 109.5 . . ?
C337 C51 H29 109.5 . . ?
H27 C51 H28 109.5 . . ?
H27 C51 H29 109.5 . . ?
H28 C51 H29 109.5 . . ?
C321 C109 H10A 111.1 . . ?
C321 C109 H10B 110.9 . . ?
C321 C109 H10C 106.3 . . ?
H10A C109 H10B 109.4 . . ?
H10A C109 H10C 109.5 . . ?
H10B C109 H10C 109.5 . . ?
C280 C103 H10D 89.7 . . ?
C280 C103 H10E 112.8 . . ?
C280 C103 H10F 123.6 . . ?
H10D C103 H10E 109.6 . . ?
H10D C103 H10F 109.4 . . ?
H10E C103 H10F 109.5 . . ?
C220 C111 H30 107.9 . . ?
C220 C111 H31 109.4 . . ?
C220 C111 H32 111.0 . . ?
H30 C111 H31 109.5 . . ?
H30 C111 H32 109.5 . . ?
H31 C111 H32 109.5 . . ?
C313 C223 H33 107.2 . . ?
C313 C223 H34 110.8 . . ?
C313 C223 H35 110.5 . . ?
H33 C223 H34 109.5 . . ?
H33 C223 H35 109.5 . . ?
H34 C223 H35 109.4 . . ?
P18 C340 H34A 107.0 . . ?
P18 C340 H34B 107.0 . . ?
H34A C340 H34B 106.7 . . ?
C233 C340 P18 121.4(10) . . ?
C233 C340 H34A 107.0 . . ?
C233 C340 H34B 107.0 . . ?
C43 C346 H36 109.5 . . ?
C43 C346 H37 109.5 . . ?
C43 C346 H38 109.5 . . ?
H36 C346 H37 109.5 . . ?
H36 C346 H38 109.5 . . ?
H37 C346 H38 109.5 . . ?
C177 C350 H35C 119.3 . . ?
C177 C350 H35D 100.2 . . ?
C177 C350 H35E 108.4 . . ?
H35C C350 H35D 109.5 . . ?
H35C C350 H35E 109.5 . . ?
H35D C350 H35E 109.5 . . ?
P24 C95 H39 106.1 . . ?
P24 C95 H40 106.1 . . ?
H39 C95 H40 106.3 . . ?
C261 C95 P24 125.0(13) . . ?
C261 C95 H39 106.1 . . ?
C261 C95 H40 106.1 . . ?
P18 C193 H19A 109.7 . . ?
P18 C193 H19B 109.7 . . ?
H19A C193 H19B 108.2 . . ?
C73 C193 P18 109.9(12) . . ?
C73 C193 H19A 109.7 . . ?
C73 C193 H19B 109.7 . . ?
C357 C99 H99A 109.5 . . ?
C357 C99 H99B 109.5 . . ?
C357 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
P40 C13 H13A 106.4 . . ?
P40 C13 H13B 106.4 . . ?
H13A C13 H13B 106.4 . . ?
C145 C13 P40 123.9(14) . . ?
C145 C13 H13A 106.4 . . ?
C145 C13 H13B 106.4 . . ?
H11A C113 H11B 109.5 . . ?
H11A C113 H11C 109.5 . . ?
H11B C113 H11C 109.5 . . ?
C135 C113 H11A 109.5 . . ?
C135 C113 H11B 109.5 . . ?
C135 C113 H11C 109.5 . . ?
C193 C73 H73A 108.8 . . ?
C193 C73 H73B 110.2 . . ?
C193 C73 H73C 109.3 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C13 C145 H14A 108.5 . . ?
C13 C145 H14B 118.0 . . ?
C13 C145 H14C 101.6 . . ?
H14A C145 H14B 109.5 . . ?
H14A C145 H14C 109.4 . . ?
H14B C145 H14C 109.5 . . ?
P18 C135 H13C 110.8 . . ?
P18 C135 H13D 110.8 . . ?
C113 C135 P18 104.9(10) . . ?
C113 C135 H13C 110.8 . . ?
C113 C135 H13D 110.8 . . ?
H13C C135 H13D 108.8 . . ?
C284 C31 H41 109.5 . . ?
C284 C31 H42 109.5 . . ?
C284 C31 H43 109.5 . . ?
H41 C31 H42 109.5 . . ?
H41 C31 H43 109.5 . . ?
H42 C31 H43 109.5 . . ?
P26 C133 H13E 110.1 . . ?
P26 C133 H13F 110.1 . . ?
H13E C133 H13F 108.4 . . ?
C33 C133 P26 108.2(6) . . ?
C33 C133 H13E 110.1 . . ?
C33 C133 H13F 110.1 . . ?
C289 C143 C212 118.5(10) . . ?
C289 C143 C137 120.0 . . ?
C137 C143 C212 120.4(10) . . ?
C143 C289 H44 120.0 . . ?
C263 C289 C143 120.0 . . ?
C263 C289 H44 120.0 . . ?
C289 C263 H45 120.0 . . ?
C289 C263 C2 120.0 . . ?
C2 C263 H45 120.0 . . ?
C263 C2 H46 120.0 . . ?
C139 C2 C263 120.0 . . ?
C139 C2 H46 120.0 . . ?
C2 C139 H47 120.0 . . ?
C2 C139 C137 120.0 . . ?
C137 C139 H47 120.0 . . ?
C143 C137 H48 120.0 . . ?
C139 C137 C143 120.0 . . ?
C139 C137 H48 120.0 . . ?
C277 C127 C192 120.4(8) . . ?
C277 C127 C363 120.0 . . ?
C363 C127 C192 118.6(9) . . ?
C127 C277 H49 120.0 . . ?
C127 C277 C267 120.0 . . ?
C267 C277 H49 120.0 . . ?
C277 C267 H50 120.0 . . ?
N129 C267 C277 120.0 . . ?
N129 C267 H50 120.0 . . ?
C267 N129 Pt36 123.0(6) . . ?
C267 N129 C253 120.0 . . ?
C253 N129 Pt36 114.4(6) . . ?
N129 C253 H51 120.0 . . ?
N129 C253 C363 120.0 . . ?
C363 C253 H51 120.0 . . ?
C127 C363 H52 120.0 . . ?
C253 C363 C127 120.0 . . ?
C253 C363 H52 120.0 . . ?
C186 C29 C125 113.5(7) . . ?
C79 C29 C186 127.0(10) . . ?
C79 C29 C125 104.6(9) . . ?
C119 C125 C29 118.35(17) . . ?
C119 C125 C65 120.0 . . ?
C65 C125 C29 118.35(17) . . ?
C125 C119 H53 120.0 . . ?
C125 C119 C257 120.0 . . ?
C257 C119 H53 120.0 . . ?
C119 C257 H54 120.0 . . ?
C141 C257 C119 120.0 . . ?
C141 C257 H54 120.0 . . ?
C257 C141 H55 120.0 . . ?
C115 C141 C257 120.0 . . ?
C115 C141 H55 120.0 . . ?
C141 C115 H56 120.0 . . ?
C141 C115 C65 120.0 . . ?
C65 C115 H56 120.0 . . ?
C125 C65 H57 120.0 . . ?
C115 C65 C125 120.0 . . ?
C115 C65 H57 120.0 . . ?
C95 C261 H58 94.9 . . ?
C95 C261 H59 118.9 . . ?
C95 C261 H60 113.6 . . ?
H58 C261 H59 109.4 . . ?
H58 C261 H60 109.5 . . ?
H59 C261 H60 109.3 . . ?
C133 C33 H33C 99.7 . . ?
C133 C33 H33D 135.3 . . ?
C133 C33 H33E 90.6 . . ?
H33C C33 H33D 109.5 . . ?
H33C C33 H33E 109.5 . . ?
H33D C33 H33E 109.6 . . ?
C340 C233 H23A 107.9 . . ?
C340 C233 H23B 101.1 . . ?
C340 C233 H23C 118.9 . . ?
H23A C233 H23B 109.5 . . ?
H23A C233 H23C 109.4 . . ?
H23B C233 H23C 109.5 . . ?
P14 C273 H61 96.2 . . ?
P14 C273 H63 96.2 . . ?
H61 C273 H63 103.4 . . ?
C239 C273 P14 159.8(19) . . ?
C239 C273 H61 96.2 . . ?
C239 C273 H63 96.2 . . ?
C273 C239 H64 109.5 . . ?
C273 C239 H65 109.5 . . ?
C273 C239 H66 109.5 . . ?
H64 C239 H65 109.5 . . ?
H64 C239 H66 109.5 . . ?
H65 C239 H66 109.5 . . ?
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
Pt16 P8 2.217(4) . ?
Pt16 P14 2.260(4) . ?
Pt16 O48 2.078(8) . ?
Pt16 N22 2.093(5) . ?
Pt44 P38 2.224(4) . ?
Pt44 P26 2.257(4) . ?
Pt44 O20 2.046(8) . ?
Pt44 N28 2.096(5) . ?
Pt36 P12 2.253(6) . ?
Pt36 P24 2.232(5) . ?
Pt36 O42 2.064(9) . ?
Pt36 N129 2.025(8) . ?
Pt46 P40 2.261(5) . ?
Pt46 P18 2.229(5) . ?
Pt46 O50 2.083(9) . ?
Pt46 N314 2.072(7) . ?
P38 C280 1.785(3) . ?
P38 C307 1.785(3) . ?
P38 C331 1.785(3) . ?
P26 C321 1.785(3) . ?
P26 C213 1.785(3) . ?
P26 C133 1.785(3) . ?
P8 C270 1.785(3) . ?
P8 C319 1.785(3) . ?
P8 C343 1.785(3) . ?
P14 C284 1.785(3) . ?
P14 C169 1.785(3) . ?
P14 C273 1.784(3) . ?
P12 C262 1.785(3) . ?
P12 C337 1.785(3) . ?
P12 C43 1.785(3) . ?
P40 C357 1.785(3) . ?
P40 C177 1.785(3) . ?
P40 C13 1.785(3) . ?
P24 C220 1.785(3) . ?
P24 C313 1.785(3) . ?
P24 C95 1.784(3) . ?
P18 C340 1.785(3) . ?
P18 C193 1.785(3) . ?
P18 C135 1.785(3) . ?
O20 C116 1.251(7) . ?
O48 C130 1.249(7) . ?
O42 C144 1.251(8) . ?
N22 C164 1.3900 . ?
N22 C70 1.3900 . ?
C164 H 0.9500 . ?
C164 C118 1.3900 . ?
C118 HA 0.9500 . ?
C118 C88 1.3900 . ?
C88 C126 1.3900 . ?
C88 C114 1.535(5) . ?
C126 HB 0.9500 . ?
C126 C70 1.3900 . ?
C70 HC 0.9500 . ?
O50 C82 1.254(8) . ?
N28 C96 1.3900 . ?
N28 C138 1.3900 . ?
C96 H96 0.9500 . ?
C96 C142 1.3900 . ?
C142 H142 0.9500 . ?
C142 C106 1.3900 . ?
C106 C158 1.3900 . ?
C106 C166 1.535(5) . ?
C158 H158 0.9500 . ?
C158 C138 1.3900 . ?
C138 H138 0.9500 . ?
O30 C144 1.242(8) . ?
O52 C82 1.248(7) . ?
O32 C130 1.248(7) . ?
N34 C122 1.373(15) . ?
N34 C266 1.394(16) . ?
C10 C124 1.3900 . ?
C10 C134 1.3900 . ?
C10 C144 1.483(13) . ?
C124 HD 0.9500 . ?
C124 C100 1.3900 . ?
C100 C4 1.3900 . ?
C100 C130 1.506(13) . ?
C4 HE 0.9500 . ?
C4 C120 1.3900 . ?
C120 C134 1.3900 . ?
C120 C182 1.488(14) . ?
C134 HF 0.9500 . ?
N1 C150 1.398(18) . ?
N1 C323 1.472(18) . ?
O132 C116 1.241(7) . ?
N178 C170 1.390(16) . ?
N178 C152 1.365(15) . ?
N180 C68 1.361(15) . ?
N180 C204 1.300(16) . ?
C92 H92 0.9500 . ?
C92 C108 1.3900 . ?
C92 C136 1.3900 . ?
C108 C62 1.3900 . ?
C108 C116 1.472(13) . ?
C62 H62 0.9500 . ?
C62 C176 1.3900 . ?
C176 C146 1.3900 . ?
C176 C82 1.473(13) . ?
C146 H146 0.9500 . ?
C146 C136 1.3900 . ?
C136 C72 1.493(15) . ?
C114 C68 1.392(4) . ?
C114 C152 1.392(4) . ?
C166 C122 1.392(4) . ?
C166 C60 1.392(4) . ?
C122 C226 1.401(3) . ?
C170 C74 1.401(4) . ?
C170 C192 1.392(4) . ?
N110 C60 1.373(14) . ?
N110 C78 1.371(16) . ?
N112 C140 1.438(19) . ?
N112 C79 1.463(17) . ?
C68 C320 1.401(3) . ?
C182 C198 1.362(19) . ?
C182 C296 1.435(19) . ?
C152 C66 1.401(3) . ?
C140 C192 1.392(4) . ?
C140 C317 1.401(3) . ?
C150 C80 1.392(4) . ?
C150 C244 1.401(3) . ?
N154 C230 1.305(18) . ?
N154 C302 1.365(18) . ?
C160 H160 0.9500 . ?
C160 C78 1.401(4) . ?
C160 C222 1.401(3) . ?
C60 C222 1.401(3) . ?
C72 C268 1.333(19) . ?
C72 C308 1.45(2) 7 ?
C66 HG 0.9500 . ?
C66 C74 1.401(3) . ?
C74 HH 0.9500 . ?
C78 C80 1.392(4) . ?
C80 C232 1.535(5) . ?
N188 C186 1.387(17) . ?
N188 C322 1.346(19) . ?
C186 C190 1.401(3) . ?
C186 C29 1.392(4) . ?
C190 HI 0.9500 . ?
C190 C324 1.401(4) . ?
C324 HJ 0.9500 . ?
C324 C322 1.401(4) . ?
C322 C212 1.392(4) . ?
C320 HK 0.9500 . ?
C320 C303 1.401(4) . ?
C208 C266 1.392(4) . ?
C208 C230 1.392(4) . ?
C208 C250 1.535(5) . ?
C232 C294 1.3900 . ?
C232 C224 1.3900 . ?
C294 H294 0.9500 . ?
C294 C228 1.3900 . ?
C228 H228 0.9500 . ?
C228 N314 1.3900 . ?
N314 C240 1.3900 . ?
C240 H240 0.9500 . ?
C240 C224 1.3900 . ?
C224 H224 0.9500 . ?
C198 HL 0.9500 . ?
C198 C296 1.305(18) 5_666 ?
C222 H222 0.9500 . ?
C226 H226 0.9500 . ?
C226 C242 1.401(4) . ?
C266 C242 1.401(3) . ?
C192 C127 1.535(5) . ?
C230 C196 1.401(4) . ?
C242 H242 0.9500 . ?
C244 H244 0.9500 . ?
C244 C206 1.401(4) . ?
C296 C198 1.305(18) 5_666 ?
C296 HM 0.9500 . ?
C250 C252 1.3900 . ?
C250 C306 1.3900 . ?
C252 H252 0.9500 . ?
C252 C194 1.3900 . ?
C194 H194 0.9500 . ?
C194 C274 1.3900 . ?
C274 H274 0.9500 . ?
C274 C254 1.3900 . ?
C254 H254 0.9500 . ?
C254 C306 1.3900 . ?
C306 H306 0.9500 . ?
C196 H196 0.9500 . ?
C196 C316 1.401(3) . ?
C262 HN 0.9900 . ?
C262 HO 0.9900 . ?
C262 C167 1.529(4) . ?
C268 H268 0.9500 . ?
C268 C308 1.38(2) . ?
C302 C316 1.401(4) . ?
C302 C297 1.392(4) . ?
C270 HP 0.9900 . ?
C270 HQ 0.9900 . ?
C270 C217 1.529(4) . ?
C280 H28A 0.9900 . ?
C280 H28B 0.9900 . ?
C280 C103 1.529(4) . ?
C284 HR 0.9900 . ?
C284 HS 0.9900 . ?
C284 C31 1.529(4) . ?
C308 C72 1.45(2) 7 ?
C308 H308 0.9500 . ?
C316 H316 0.9500 . ?
C204 C212 1.392(4) . ?
C204 C303 1.401(3) . ?
C206 H206 0.9500 . ?
C206 C323 1.401(4) . ?
C212 C143 1.535(5) . ?
C220 HT 0.9900 . ?
C220 HU 0.9900 . ?
C220 C111 1.529(4) . ?
C173 C157 1.3900 . ?
C173 C77 1.3900 . ?
C173 C297 1.535(5) . ?
C157 H157 0.9500 . ?
C157 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C335 1.3900 . ?
C335 H335 0.9500 . ?
C335 C301 1.3900 . ?
C301 H301 0.9500 . ?
C301 C77 1.3900 . ?
C77 H77 0.9500 . ?
C323 C297 1.392(4) . ?
C79 C83 1.401(3) . ?
C79 C29 1.392(4) . ?
C307 H30A 0.9900 . ?
C307 H30B 0.9900 . ?
C307 C215 1.529(4) . ?
C321 H32A 0.9900 . ?
C321 H32B 0.9900 . ?
C321 C109 1.529(4) . ?
C319 HV 0.9900 . ?
C319 HW 0.9900 . ?
C319 C305 1.529(4) . ?
C313 HX 0.9900 . ?
C313 HY 0.9900 . ?
C313 C223 1.529(4) . ?
C357 H35A 0.9900 . ?
C357 H35B 0.9900 . ?
C357 C99 1.529(4) . ?
C337 HZ 0.9900 . ?
C337 H1 0.9900 . ?
C337 C51 1.529(4) . ?
C303 H2 0.9500 . ?
C83 H3 0.9500 . ?
C83 C317 1.401(3) . ?
C43 H4 0.9900 . ?
C43 H5 0.9900 . ?
C43 C346 1.529(4) . ?
C317 H6 0.9500 . ?
C169 H7 0.9900 . ?
C169 H8 0.9900 . ?
C169 C352 1.529(4) . ?
C343 H9 0.9900 . ?
C343 H10 0.9900 . ?
C343 C7 1.529(4) . ?
C331 H33A 0.9900 . ?
C331 H33B 0.9900 . ?
C331 C181 1.529(4) . ?
C167 H11 0.9800 . ?
C167 H12 0.9800 . ?
C167 H13 0.9800 . ?
C177 H17A 0.9900 . ?
C177 H17B 0.9900 . ?
C177 C350 1.529(4) . ?
C305 H14 0.9799 . ?
C305 H15 0.9808 . ?
C305 H16 0.9787 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C45 C213 1.529(4) . ?
C181 H18A 0.9800 . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C215 H21A 0.9800 . ?
C215 H21B 0.9800 . ?
C215 H21C 0.9800 . ?
C7 H17 0.9788 . ?
C7 H18 0.9795 . ?
C7 H19 0.9804 . ?
C217 H20 0.9800 . ?
C217 H22 0.9800 . ?
C217 H23 0.9800 . ?
C352 H24 0.9799 . ?
C352 H25 0.9807 . ?
C352 H26 0.9794 . ?
C213 H21D 0.9900 . ?
C213 H21E 0.9900 . ?
C51 H27 0.9800 . ?
C51 H28 0.9800 . ?
C51 H29 0.9800 . ?
C109 H10A 0.9795 . ?
C109 H10B 0.9793 . ?
C109 H10C 0.9796 . ?
C103 H10D 0.9797 . ?
C103 H10E 0.9789 . ?
C103 H10F 0.9815 . ?
C111 H30 0.9802 . ?
C111 H31 0.9803 . ?
C111 H32 0.9792 . ?
C223 H33 0.9802 . ?
C223 H34 0.9802 . ?
C223 H35 0.9804 . ?
C340 H34A 0.9900 . ?
C340 H34B 0.9900 . ?
C340 C233 1.529(4) . ?
C346 H36 0.9800 . ?
C346 H37 0.9800 . ?
C346 H38 0.9800 . ?
C350 H35C 0.9790 . ?
C350 H35D 0.9786 . ?
C350 H35E 0.9795 . ?
C95 H39 0.9900 . ?
C95 H40 0.9900 . ?
C95 C261 1.529(4) . ?
C193 H19A 0.9900 . ?
C193 H19B 0.9900 . ?
C193 C73 1.529(4) . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C145 1.529(4) . ?
C113 H11A 0.9800 . ?
C113 H11B 0.9800 . ?
C113 H11C 0.9800 . ?
C113 C135 1.529(4) . ?
C73 H73A 0.9807 . ?
C73 H73B 0.9792 . ?
C73 H73C 0.9792 . ?
C145 H14A 0.9803 . ?
C145 H14B 0.9797 . ?
C145 H14C 0.9809 . ?
C135 H13C 0.9900 . ?
C135 H13D 0.9900 . ?
C31 H41 0.9800 . ?
C31 H42 0.9800 . ?
C31 H43 0.9800 . ?
C133 H13E 0.9900 . ?
C133 H13F 0.9900 . ?
C133 C33 1.529(4) . ?
C143 C289 1.3900 . ?
C143 C137 1.3900 . ?
C289 H44 0.9500 . ?
C289 C263 1.3900 . ?
C263 H45 0.9500 . ?
C263 C2 1.3900 . ?
C2 H46 0.9500 . ?
C2 C139 1.3900 . ?
C139 H47 0.9500 . ?
C139 C137 1.3900 . ?
C137 H48 0.9500 . ?
C127 C277 1.3900 . ?
C127 C363 1.3900 . ?
C277 H49 0.9500 . ?
C277 C267 1.3900 . ?
C267 H50 0.9500 . ?
C267 N129 1.3900 . ?
N129 C253 1.3900 . ?
C253 H51 0.9500 . ?
C253 C363 1.3900 . ?
C363 H52 0.9500 . ?
C29 C125 1.535(5) . ?
C125 C119 1.3900 . ?
C125 C65 1.3900 . ?
C119 H53 0.9500 . ?
C119 C257 1.3900 . ?
C257 H54 0.9500 . ?
C257 C141 1.3900 . ?
C141 H55 0.9500 . ?
C141 C115 1.3900 . ?
C115 H56 0.9500 . ?
C115 C65 1.3900 . ?
C65 H57 0.9500 . ?
C261 H58 0.9800 . ?
C261 H59 0.9819 . ?
C261 H60 0.9799 . ?
C33 H33C 0.9801 . ?
C33 H33D 0.9799 . ?
C33 H33E 0.9797 . ?
C233 H23A 0.9802 . ?
C233 H23B 0.9797 . ?
C233 H23C 0.9806 . ?
C273 H61 0.9900 . ?
C273 H63 0.9900 . ?
C273 C239 1.529(4) . ?
C239 H64 0.9800 . ?
C239 H65 0.9800 . ?
C239 H66 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt16 P8 C270 C217 46.3(11) . . . . ?
Pt16 P8 C319 C305 175.0(13) . . . . ?
Pt16 P8 C343 C7 -67.7(14) . . . . ?
Pt16 P14 C284 C31 -178.3(8) . . . . ?
Pt16 P14 C169 C352 66.4(16) . . . . ?
Pt16 P14 C273 C239 -53(3) . . . . ?
Pt16 O48 C130 O32 12(2) . . . . ?
Pt16 O48 C130 C100 -164.6(7) . . . . ?
Pt16 N22 C164 C118 157.3(5) . . . . ?
Pt16 N22 C70 C126 -157.7(5) . . . . ?
Pt44 P38 C280 C103 58.0(11) . . . . ?
Pt44 P38 C307 C215 179.8(11) . . . . ?
Pt44 P38 C331 C181 -67.1(12) . . . . ?
Pt44 P26 C321 C109 -177.9(15) . . . . ?
Pt44 P26 C213 C45 61.4(13) . . . . ?
Pt44 P26 C133 C33 -72.3(10) . . . . ?
Pt44 O20 C116 O132 12(2) . . . . ?
Pt44 O20 C116 C108 -164.3(7) . . . . ?
Pt44 N28 C96 C142 156.8(5) . . . . ?
Pt44 N28 C138 C158 -157.5(5) . . . . ?
Pt36 P12 C262 C167 64.0(18) . . . . ?
Pt36 P12 C337 C51 -70.9(18) . . . . ?
Pt36 P12 C43 C346 175.8(10) . . . . ?
Pt36 P24 C220 C111 36(2) . . . . ?
Pt36 P24 C313 C223 -60.6(15) . . . . ?
Pt36 P24 C95 C261 169.6(12) . . . . ?
Pt36 O42 C144 O30 -18(2) . . . . ?
Pt36 O42 C144 C10 160.7(9) . . . . ?
Pt36 N129 C253 C363 162.2(6) . . . . ?
Pt46 P40 C357 C99 67.4(13) . . . . ?
Pt46 P40 C177 C350 -173.0(11) . . . . ?
Pt46 P40 C13 C145 -53.0(17) . . . . ?
Pt46 P18 C340 C233 -161.4(19) . . . . ?
Pt46 P18 C193 C73 -64.1(13) . . . . ?
Pt46 P18 C135 C113 54.4(10) . . . . ?
Pt46 O50 C82 O52 -15(2) . . . . ?
Pt46 O50 C82 C176 161.4(9) . . . . ?
Pt46 N314 C240 C224 161.0(6) . . . . ?
N22 C164 C118 C88 0.0 . . . . ?
C164 N22 C70 C126 0.0 . . . . ?
C164 C118 C88 C126 0.0 . . . . ?
C164 C118 C88 C114 -167.2(8) . . . . ?
C118 C88 C126 C70 0.0 . . . . ?
C118 C88 C114 C68 -104.9(11) . . . . ?
C118 C88 C114 C152 77.3(12) . . . . ?
C88 C126 C70 N22 0.0 . . . . ?
C88 C114 C68 N180 175.6(12) . . . . ?
C88 C114 C68 C320 4(2) . . . . ?
C88 C114 C152 N178 -179.9(12) . . . . ?
C88 C114 C152 C66 3.5(19) . . . . ?
C126 C88 C114 C68 87.8(12) . . . . ?
C126 C88 C114 C152 -89.9(11) . . . . ?
C70 N22 C164 C118 0.0 . . . . ?
N28 C96 C142 C106 0.0 . . . . ?
C96 N28 C138 C158 0.0 . . . . ?
C96 C142 C106 C158 0.0 . . . . ?
C96 C142 C106 C166 -167.1(8) . . . . ?
C142 C106 C158 C138 0.0 . . . . ?
C142 C106 C166 C122 -102.1(12) . . . . ?
C142 C106 C166 C60 77.9(13) . . . . ?
C106 C158 C138 N28 0.0 . . . . ?
C106 C166 C122 N34 175.6(12) . . . . ?
C106 C166 C122 C226 -3(2) . . . . ?
C106 C166 C60 N110 -177.4(13) . . . . ?
C106 C166 C60 C222 1(2) . . . . ?
C158 C106 C166 C122 90.7(13) . . . . ?
C158 C106 C166 C60 -89.3(12) . . . . ?
C138 N28 C96 C142 0.0 . . . . ?
N34 C122 C226 C242 -1.3(18) . . . . ?
N34 C266 C242 C226 0.2(19) . . . . ?
C10 C124 C100 C4 0.0 . . . . ?
C10 C124 C100 C130 179.2(10) . . . . ?
C124 C10 C134 C120 0.0 . . . . ?
C124 C10 C144 O42 165.6(11) . . . . ?
C124 C10 C144 O30 -15.3(18) . . . . ?
C124 C100 C4 C120 0.0 . . . . ?
C124 C100 C130 O48 -162.1(9) . . . . ?
C124 C100 C130 O32 20.7(16) . . . . ?
C100 C4 C120 C134 0.0 . . . . ?
C100 C4 C120 C182 -171.7(10) . . . . ?
C4 C100 C130 O48 17.2(14) . . . . ?
C4 C100 C130 O32 -160.1(11) . . . . ?
C4 C120 C134 C10 0.0 . . . . ?
C4 C120 C182 C198 -32.0(19) . . . . ?
C4 C120 C182 C296 148.7(14) . . . . ?
C120 C182 C198 C296 -169.7(17) . . . 5_666 ?
C120 C182 C296 C198 170.3(15) . . . 5_666 ?
C134 C10 C124 C100 0.0 . . . . ?
C134 C10 C144 O42 -15.1(18) . . . . ?
C134 C10 C144 O30 164.0(12) . . . . ?
C134 C120 C182 C198 156.6(14) . . . . ?
C134 C120 C182 C296 -23(2) . . . . ?
N1 C150 C80 C78 -1(3) . . . . ?
N1 C150 C80 C232 -177.1(14) . . . . ?
N1 C150 C244 C206 0(2) . . . . ?
N1 C323 C297 C302 -18(3) . . . . ?
N1 C323 C297 C173 175.9(16) . . . . ?
N178 C170 C74 C66 -0.1(16) . . . . ?
N178 C170 C192 C140 0(2) . . . . ?
N178 C170 C192 C127 176.0(13) . . . . ?
N178 C152 C66 C74 -2.0(16) . . . . ?
N180 C68 C320 C303 0.7(15) . . . . ?
N180 C204 C212 C322 -5(2) . . . . ?
N180 C204 C212 C143 -167.6(14) . . . . ?
N180 C204 C303 C320 3.8(17) . . . . ?
C144 C10 C124 C100 179.3(11) . . . . ?
C144 C10 C134 C120 -179.3(11) . . . . ?
C92 C108 C62 C176 0.0 . . . . ?
C92 C108 C116 O20 16.4(15) . . . . ?
C92 C108 C116 O132 -160.4(10) . . . . ?
C92 C136 C72 C268 -32.9(18) . . . . ?
C92 C136 C72 C308 144.4(12) . . . 7 ?
C108 C92 C136 C146 0.0 . . . . ?
C108 C92 C136 C72 -174.3(10) . . . . ?
C108 C62 C176 C146 0.0 . . . . ?
C108 C62 C176 C82 178.9(11) . . . . ?
C62 C108 C116 O20 -161.6(9) . . . . ?
C62 C108 C116 O132 21.6(17) . . . . ?
C62 C176 C146 C136 0.0 . . . . ?
C62 C176 C82 O50 166.8(11) . . . . ?
C62 C176 C82 O52 -16.4(18) . . . . ?
C176 C146 C136 C92 0.0 . . . . ?
C176 C146 C136 C72 174.0(11) . . . . ?
C146 C176 C82 O50 -14.3(17) . . . . ?
C146 C176 C82 O52 162.5(11) . . . . ?
C146 C136 C72 C268 153.0(13) . . . . ?
C146 C136 C72 C308 -29.7(17) . . . 7 ?
C136 C92 C108 C62 0.0 . . . . ?
C136 C92 C108 C116 -178.0(10) . . . . ?
C136 C72 C268 C308 -177.7(14) . . . . ?
C130 C100 C4 C120 -179.3(10) . . . . ?
C114 C88 C126 C70 167.2(8) . . . . ?
C114 C68 C320 C303 173.3(13) . . . . ?
C114 C152 C66 C74 175.2(13) . . . . ?
C166 C106 C158 C138 167.2(7) . . . . ?
C166 C122 C226 C242 177.7(15) . . . . ?
C166 C60 C222 C160 178.2(14) . . . . ?
C122 N34 C266 C208 177.2(15) . . . . ?
C122 N34 C266 C242 -1.0(18) . . . . ?
C122 C166 C60 N110 3(3) . . . . ?
C122 C166 C60 C222 -178.9(15) . . . . ?
C122 C226 C242 C266 0.6(19) . . . . ?
C116 C108 C62 C176 177.9(10) . . . . ?
C170 N178 C152 C114 -175.2(13) . . . . ?
C170 N178 C152 C66 1.9(16) . . . . ?
C170 C192 C127 C277 -71.5(14) . . . . ?
C170 C192 C127 C363 96.7(12) . . . . ?
N110 C60 C222 C160 -3.1(18) . . . . ?
N110 C78 C80 C150 2(3) . . . . ?
N110 C78 C80 C232 177.8(14) . . . . ?
N112 C140 C192 C170 -1(2) . . . . ?
N112 C140 C192 C127 -177.2(13) . . . . ?
N112 C140 C317 C83 3.1(18) . . . . ?
N112 C79 C83 C317 -0.4(17) . . . . ?
N112 C79 C29 C186 13(2) . . . . ?
N112 C79 C29 C125 148.5(12) . . . . ?
C68 N180 C204 C212 -179.7(13) . . . . ?
C68 N180 C204 C303 -3.4(17) . . . . ?
C68 C114 C152 N178 2(2) . . . . ?
C68 C114 C152 C66 -174.2(13) . . . . ?
C68 C320 C303 C204 -2.7(15) . . . . ?
C182 C120 C134 C10 171.2(11) . . . . ?
C152 N178 C170 C74 -1.1(16) . . . . ?
C152 N178 C170 C192 179.8(13) . . . . ?
C152 C114 C68 N180 -7(2) . . . . ?
C152 C114 C68 C320 -178.2(13) . . . . ?
C152 C66 C74 C170 1.2(15) . . . . ?
C140 N112 C79 C83 2.1(17) . . . . ?
C140 N112 C79 C29 173.0(13) . . . . ?
C140 C192 C127 C277 105.2(11) . . . . ?
C140 C192 C127 C363 -86.7(12) . . . . ?
C150 N1 C323 C206 -3(2) . . . . ?
C150 N1 C323 C297 -169.9(17) . . . . ?
C150 C80 C232 C294 107.4(13) . . . . ?
C150 C80 C232 C224 -84.4(14) . . . . ?
C150 C244 C206 C323 -1(2) . . . . ?
N154 C230 C196 C316 -2(2) . . . . ?
N154 C302 C316 C196 -7(2) . . . . ?
N154 C302 C297 C173 176.8(17) . . . . ?
N154 C302 C297 C323 13(4) . . . . ?
C160 C78 C80 C150 178.5(16) . . . . ?
C160 C78 C80 C232 -6(2) . . . . ?
C60 C166 C122 N34 -4(2) . . . . ?
C60 C166 C122 C226 176.7(15) . . . . ?
C60 N110 C78 C160 -0.2(18) . . . . ?
C60 N110 C78 C80 176.7(15) . . . . ?
C72 C268 C308 C72 -5(3) . . . 7 ?
C74 C170 C192 C140 -179.0(14) . . . . ?
C74 C170 C192 C127 -3(2) . . . . ?
C78 N110 C60 C166 -179.3(15) . . . . ?
C78 N110 C60 C222 2.0(17) . . . . ?
C78 C160 C222 C60 2.9(17) . . . . ?
C78 C80 C232 C294 -69.0(14) . . . . ?
C78 C80 C232 C224 99.3(13) . . . . ?
C82 C176 C146 C136 -178.9(11) . . . . ?
C80 C150 C244 C206 -177.5(17) . . . . ?
C80 C232 C294 C228 168.0(9) . . . . ?
C80 C232 C224 C240 -168.5(8) . . . . ?
N188 C186 C190 C324 -1.9(16) . . . . ?
N188 C186 C29 C79 -12(2) . . . . ?
N188 C186 C29 C125 -144.5(12) . . . . ?
N188 C322 C212 C204 11(2) . . . . ?
N188 C322 C212 C143 175.7(14) . . . . ?
C186 N188 C322 C324 -0.8(18) . . . . ?
C186 N188 C322 C212 176.2(12) . . . . ?
C186 C190 C324 C322 1.4(15) . . . . ?
C186 C29 C125 C119 68.6(13) . . . . ?
C186 C29 C125 C65 -131.9(6) . . . . ?
C190 C186 C29 C79 163.3(14) . . . . ?
C190 C186 C29 C125 31.0(15) . . . . ?
C190 C324 C322 N188 -0.4(17) . . . . ?
C190 C324 C322 C212 -177.0(15) . . . . ?
C324 C322 C212 C204 -172.5(15) . . . . ?
C324 C322 C212 C143 -8.0(19) . . . . ?
C322 N188 C186 C190 1.8(18) . . . . ?
C322 N188 C186 C29 177.7(12) . . . . ?
C322 C212 C143 C289 92.2(12) . . . . ?
C322 C212 C143 C137 -100.1(12) . . . . ?
C208 C266 C242 C226 -177.8(17) . . . . ?
C208 C230 C196 C316 173.5(19) . . . . ?
C208 C250 C252 C194 178.0(11) . . . . ?
C208 C250 C306 C254 -177.9(12) . . . . ?
C232 C294 C228 N314 0.0 . . . . ?
C294 C232 C224 C240 0.0 . . . . ?
C294 C228 N314 Pt46 -160.1(6) . . . . ?
C294 C228 N314 C240 0.0 . . . . ?
C228 N314 C240 C224 0.0 . . . . ?
N314 C240 C224 C232 0.0 . . . . ?
C224 C232 C294 C228 0.0 . . . . ?
C198 C182 C296 C198 -9(3) . . . 5_666 ?
C222 C160 C78 N110 -1.7(18) . . . . ?
C222 C160 C78 C80 -178.6(16) . . . . ?
C266 N34 C122 C166 -177.6(15) . . . . ?
C266 N34 C122 C226 1.4(18) . . . . ?
C266 C208 C230 N154 1(3) . . . . ?
C266 C208 C230 C196 -174.5(18) . . . . ?
C266 C208 C250 C252 -99.4(15) . . . . ?
C266 C208 C250 C306 78.6(16) . . . . ?
C192 C170 C74 C66 179.0(13) . . . . ?
C192 C140 C317 C83 -176.0(14) . . . . ?
C192 C127 C277 C267 168.0(9) . . . . ?
C192 C127 C363 C253 -168.2(9) . . . . ?
C230 N154 C302 C316 6(2) . . . . ?
C230 N154 C302 C297 173(2) . . . . ?
C230 C208 C266 N34 6(3) . . . . ?
C230 C208 C266 C242 -176(2) . . . . ?
C230 C208 C250 C252 89.4(16) . . . . ?
C230 C208 C250 C306 -92.6(16) . . . . ?
C230 C196 C316 C302 6(2) . . . . ?
C244 C150 C80 C78 175.4(17) . . . . ?
C244 C150 C80 C232 0(2) . . . . ?
C244 C206 C323 N1 2(2) . . . . ?
C244 C206 C323 C297 168(2) . . . . ?
C296 C182 C198 C296 10(3) . . . 5_666 ?
C250 C208 C266 N34 -163.3(15) . . . . ?
C250 C208 C266 C242 15(3) . . . . ?
C250 C208 C230 N154 170.3(17) . . . . ?
C250 C208 C230 C196 -5(3) . . . . ?
C250 C252 C194 C274 0.0 . . . . ?
C252 C250 C306 C254 0.0 . . . . ?
C252 C194 C274 C254 0.0 . . . . ?
C194 C274 C254 C306 0.0 . . . . ?
C274 C254 C306 C250 0.0 . . . . ?
C306 C250 C252 C194 0.0 . . . . ?
C262 P12 C337 C51 171.9(17) . . . . ?
C262 P12 C43 C346 -58.6(14) . . . . ?
C302 N154 C230 C208 -177.9(18) . . . . ?
C302 N154 C230 C196 -2(2) . . . . ?
C270 P8 C319 C305 -56.3(16) . . . . ?
C270 P8 C343 C7 166.4(13) . . . . ?
C280 P38 C307 C215 -53.6(14) . . . . ?
C280 P38 C331 C181 169.7(12) . . . . ?
C284 P14 C169 C352 -50.7(17) . . . . ?
C284 P14 C273 C239 61(3) . . . . ?
C308 C72 C268 C308 5(3) 7 . . . ?
C316 C302 C297 C173 -18(3) . . . . ?
C316 C302 C297 C323 178(2) . . . . ?
C204 N180 C68 C114 -170.8(13) . . . . ?
C204 N180 C68 C320 1.7(17) . . . . ?
C204 C212 C143 C289 -101.4(13) . . . . ?
C204 C212 C143 C137 66.2(16) . . . . ?
C206 C323 C297 C302 178(2) . . . . ?
C206 C323 C297 C173 12(3) . . . . ?
C212 C204 C303 C320 -179.9(13) . . . . ?
C212 C143 C289 C263 167.7(12) . . . . ?
C212 C143 C137 C139 -167.5(13) . . . . ?
C220 P24 C313 C223 163.7(15) . . . . ?
C220 P24 C95 C261 -61.2(14) . . . . ?
C173 C157 C21 C335 0.0 . . . . ?
C157 C173 C77 C301 0.0 . . . . ?
C157 C173 C297 C302 122.1(18) . . . . ?
C157 C173 C297 C323 -70.5(17) . . . . ?
C157 C21 C335 C301 0.0 . . . . ?
C21 C335 C301 C77 0.0 . . . . ?
C335 C301 C77 C173 0.0 . . . . ?
C77 C173 C157 C21 0.0 . . . . ?
C77 C173 C297 C302 -48(2) . . . . ?
C77 C173 C297 C323 119.1(14) . . . . ?
C323 N1 C150 C80 179.0(16) . . . . ?
C323 N1 C150 C244 2(2) . . . . ?
C79 N112 C140 C192 176.0(13) . . . . ?
C79 N112 C140 C317 -3.1(17) . . . . ?
C79 C83 C317 C140 -1.6(17) . . . . ?
C79 C29 C125 C119 -73.8(10) . . . . ?
C79 C29 C125 C65 85.8(8) . . . . ?
C307 P38 C280 C103 -65.9(11) . . . . ?
C307 P38 C331 C181 58.9(14) . . . . ?
C321 P26 C213 C45 -62.6(14) . . . . ?
C321 P26 C133 C33 47.8(10) . . . . ?
C319 P8 C270 C217 -79.1(10) . . . . ?
C319 P8 C343 C7 57.1(15) . . . . ?
C313 P24 C220 C111 170(2) . . . . ?
C313 P24 C95 C261 51.4(14) . . . . ?
C297 C302 C316 C196 -174(2) . . . . ?
C297 C173 C157 C21 -170.4(11) . . . . ?
C297 C173 C77 C301 170.3(12) . . . . ?
C357 P40 C177 C350 -43.3(17) . . . . ?
C357 P40 C13 C145 -170.7(15) . . . . ?
C337 P12 C262 C167 -177.2(18) . . . . ?
C337 P12 C43 C346 43.6(15) . . . . ?
C303 C204 C212 C322 178.9(15) . . . . ?
C303 C204 C212 C143 17(2) . . . . ?
C83 C79 C29 C186 -177.7(13) . . . . ?
C83 C79 C29 C125 -42.2(18) . . . . ?
C43 P12 C262 C167 -69.6(18) . . . . ?
C43 P12 C337 C51 67.0(19) . . . . ?
C317 C140 C192 C170 178.0(15) . . . . ?
C317 C140 C192 C127 2(2) . . . . ?
C169 P14 C284 C31 -61.8(12) . . . . ?
C169 P14 C273 C239 -175(3) . . . . ?
C343 P8 C270 C217 170.0(9) . . . . ?
C343 P8 C319 C305 48.7(16) . . . . ?
C331 P38 C280 C103 -178.7(10) . . . . ?
C331 P38 C307 C215 51.2(15) . . . . ?
C177 P40 C357 C99 -67.7(14) . . . . ?
C177 P40 C13 C145 83.0(16) . . . . ?
C213 P26 C321 C109 -55.3(19) . . . . ?
C213 P26 C133 C33 158.6(9) . . . . ?
C340 P18 C193 C73 55.5(14) . . . . ?
C340 P18 C135 C113 -71.3(13) . . . . ?
C95 P24 C220 C111 -91(2) . . . . ?
C95 P24 C313 C223 56.8(16) . . . . ?
C193 P18 C340 C233 75(2) . . . . ?
C193 P18 C135 C113 -177.7(10) . . . . ?
C13 P40 C357 C99 -174.6(12) . . . . ?
C13 P40 C177 C350 56.0(17) . . . . ?
C135 P18 C340 C233 -32(2) . . . . ?
C135 P18 C193 C73 168.0(12) . . . . ?
C133 P26 C321 C109 52.3(18) . . . . ?
C133 P26 C213 C45 -161.3(12) . . . . ?
C143 C289 C263 C2 0.0 . . . . ?
C289 C143 C137 C139 0.0 . . . . ?
C289 C263 C2 C139 0.0 . . . . ?
C263 C2 C139 C137 0.0 . . . . ?
C2 C139 C137 C143 0.0 . . . . ?
C137 C143 C289 C263 0.0 . . . . ?
C127 C277 C267 N129 0.0 . . . . ?
C277 C127 C363 C253 0.0 . . . . ?
C277 C267 N129 Pt36 -160.7(7) . . . . ?
C277 C267 N129 C253 0.0 . . . . ?
C267 N129 C253 C363 0.0 . . . . ?
N129 C253 C363 C127 0.0 . . . . ?
C363 C127 C277 C267 0.0 . . . . ?
C29 C186 C190 C324 -178.0(11) . . . . ?
C29 C79 C83 C317 -170.7(15) . . . . ?
C29 C125 C119 C257 159.2(10) . . . . ?
C29 C125 C65 C115 -159.2(10) . . . . ?
C125 C119 C257 C141 0.0 . . . . ?
C119 C125 C65 C115 0.0 . . . . ?
C119 C257 C141 C115 0.0 . . . . ?
C257 C141 C115 C65 0.0 . . . . ?
C141 C115 C65 C125 0.0 . . . . ?
C65 C125 C119 C257 0.0 . . . . ?
C273 P14 C284 C31 67.7(12) . . . . ?
C273 P14 C169 C352 -169.9(13) . . . . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.057 0.418 0.128 17132 4206 '104 C2H3N,40 C6H14O'
2 0.353 0.236 0.056 21 -1 ' '
3 0.853 0.736 0.056 21 -1 ' '
4 0.343 0.178 0.115 9 -1 ' '
5 0.843 0.678 0.115 9 -1 ' '
6 0.157 0.678 0.385 9 -1 ' '
7 0.657 0.178 0.385 9 -1 ' '
8 0.147 0.736 0.444 20 -1 ' '
9 0.647 0.236 0.444 20 -1 ' '
10 0.353 0.764 0.556 21 -1 ' '
11 0.853 0.264 0.556 21 -1 ' '
12 0.343 0.822 0.615 9 -1 ' '
13 0.843 0.322 0.615 9 -1 ' '
14 0.157 0.322 0.885 9 -1 ' '
15 0.657 0.822 0.885 9 -1 ' '
16 0.147 0.264 0.944 20 -1 ' '
17 0.647 0.764 0.944 20 -1 ' '
