#------------------------------------------------------------------------------
#$Date: 2020-07-06 05:54:46 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253861 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/43/7704374.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_7704374
loop_
_publ_author_name
'Han, Li-Jing'
'Wu, Xiu-Xin'
'Ma, Zheng-Gen'
'Li, Yi'
'Wei, Qiao-Hua'
_publ_section_title
;
 Novel luminescent homo/heterometallic platinum(ii) alkynyl complexes
 based on Y-shaped pyridyl diphosphines.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8347
_journal_page_last               8353
_journal_paper_doi               10.1039/d0dt01173h
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C208 H148 Cl4 Cu0 N4 O2 P8 Pt4'
_chemical_formula_weight         3905.18
_space_group_IT_number           52
_space_group_name_Hall           '-P 2a 2bc'
_space_group_name_H-M_alt        'P n n a'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P n n a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-03-13 deposited with the CCDC.	2020-05-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.599(5)
_cell_length_b                   37.492(7)
_cell_length_c                   19.730(4)
_cell_measurement_reflns_used    25996
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      30.71
_cell_measurement_theta_min      1.47
_cell_volume                     17457(6)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Mar CCD'
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Mar CCD 165 nm'
_diffrn_measurement_method       oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.72000
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0205
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_k_min       -53
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            92068
_diffrn_reflns_theta_full        30.71
_diffrn_reflns_theta_max         30.71
_diffrn_reflns_theta_min         1.47
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details
'spherical harmonics expansion of the absorption surface (Katayama, et al. 1986)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             7758
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         9.479
_refine_diff_density_min         -4.851
_refine_diff_density_rms         0.493
_refine_ls_extinction_coef       0.00436(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1046
_refine_ls_number_reflns         25996
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0627
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1011P)²+89.6415P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1729
_refine_ls_wR_factor_ref         0.1762
_reflns_number_gt                24185
_reflns_number_total             25996
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0dt01173h2.cif
_cod_data_source_block           w1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7704372--7704375.cif.
;
_cod_original_sg_symbol_H-M      Pnna
_cod_database_code               7704374
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z'
'x, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'-x, y-1/2, z-1/2'
'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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.220815(7) 0.193285(4) 0.172015(8) 0.02403(7) Uani 1 1 d . . .
Pt2 Pt 0.2500 0.0000 0.620079(11) 0.02527(7) Uani 1 2 d S . .
Pt3 Pt 0.2500 0.0000 0.882199(11) 0.02545(7) Uani 1 2 d S . .
Cl1 Cl 0.2433(2) 0.0605(3) 0.0656(2) 0.253(5) Uani 1 1 d . . .
Cl2 Cl 0.25529(15) 0.07120(17) 0.2026(3) 0.162(3) Uani 1 1 d . . .
P1 P 0.30580(5) 0.21231(3) 0.13017(6) 0.0265(2) Uani 1 1 d . . .
P2 P 0.13553(5) 0.17854(3) 0.21908(5) 0.02235(19) Uani 1 1 d . . .
P3 P 0.17065(5) 0.03492(3) 0.62621(5) 0.0266(2) Uani 1 1 d . . .
P4 P 0.16275(5) -0.02621(3) 0.87835(5) 0.0254(2) Uani 1 1 d . . .
O1 O 0.2475(6) 0.0384(3) 0.4418(4) 0.136(5) Uani 1 1 d . . .
N1 N 0.6156(4) 0.2378(4) 0.2594(8) 0.066(5) Uani 0.50 1 d P . .
N2 N -0.1766(3) 0.2500 0.2500 0.053(2) Uani 1 2 d S . .
N3 N -0.1451(2) 0.0080(2) 0.7351(3) 0.0553(14) Uani 1 1 d . . .
C1 C 0.2652(2) 0.16765(13) 0.2433(3) 0.0327(9) Uani 1 1 d . . .
C01 C 0.2080(5) 0.0862(2) 0.1310(7) 0.088(3) Uani 1 1 d . . .
H01A H 0.1681 0.0789 0.1376 0.106 Uiso 1 1 calc R . .
H01B H 0.2103 0.1122 0.1229 0.106 Uiso 1 1 calc R . .
C2 C 0.2940(2) 0.15246(15) 0.2852(3) 0.0403(11) Uani 1 1 d . . .
C3 C 0.3298(3) 0.13526(17) 0.3344(4) 0.0523(17) Uani 1 1 d . . .
C03 C 0.2430(5) 0.0278(3) 0.3769(7) 0.085(3) Uani 1 1 d . . .
C4 C 0.3881(3) 0.1409(2) 0.3333(5) 0.071(3) Uani 1 1 d . . .
H4A H 0.4046 0.1563 0.3005 0.085 Uiso 1 1 calc R . .
C5 C 0.4227(4) 0.1233(3) 0.3824(6) 0.091(4) Uani 1 1 d . . .
H5A H 0.4626 0.1267 0.3819 0.109 Uiso 1 1 calc R . .
C6 C 0.3983(6) 0.1013(3) 0.4309(6) 0.098(4) Uani 1 1 d . . .
H6A H 0.4212 0.0900 0.4642 0.118 Uiso 1 1 calc R . .
C7 C 0.3427(5) 0.0961(2) 0.4302(5) 0.085(3) Uani 1 1 d . . .
H7A H 0.3262 0.0807 0.4630 0.102 Uiso 1 1 calc R . .
C8 C 0.3082(4) 0.1125(2) 0.3828(4) 0.062(2) Uani 1 1 d . . .
H8A H 0.2686 0.1080 0.3837 0.075 Uiso 1 1 calc R . .
C11 C 0.1738(2) 0.21899(12) 0.1029(2) 0.0273(8) Uani 1 1 d . . .
C12 C 0.1406(2) 0.23340(13) 0.0649(2) 0.0326(9) Uani 1 1 d . . .
C13 C 0.0981(3) 0.24967(13) 0.0228(3) 0.0402(12) Uani 1 1 d . . .
C14 C 0.1111(4) 0.2640(2) -0.0404(4) 0.066(2) Uani 1 1 d . . .
H14A H 0.1489 0.2629 -0.0569 0.079 Uiso 1 1 calc R . .
C15 C 0.0692(6) 0.2798(3) -0.0794(5) 0.092(4) Uani 1 1 d . . .
H15A H 0.0785 0.2899 -0.1221 0.111 Uiso 1 1 calc R . .
C16 C 0.0146(5) 0.2809(2) -0.0566(6) 0.089(4) Uani 1 1 d . . .
H16A H -0.0138 0.2919 -0.0837 0.107 Uiso 1 1 calc R . .
C17 C 0.0003(4) 0.2665(2) 0.0045(5) 0.077(3) Uani 1 1 d . . .
H17A H -0.0379 0.2673 0.0198 0.093 Uiso 1 1 calc R . .
C18 C 0.0419(3) 0.25065(17) 0.0444(4) 0.0524(16) Uani 1 1 d . . .
H18A H 0.0319 0.2404 0.0868 0.063 Uiso 1 1 calc R . .
C31 C 0.3026(2) 0.04183(13) 0.6205(2) 0.0273(8) Uani 1 1 d . . .
C32 C 0.3379(2) 0.06520(13) 0.6213(2) 0.0302(9) Uani 1 1 d . . .
C33 C 0.3831(2) 0.09076(14) 0.6226(2) 0.0311(9) Uani 1 1 d . . .
C34 C 0.4363(2) 0.08136(15) 0.6475(3) 0.0366(10) Uani 1 1 d . . .
H34A H 0.4419 0.0582 0.6659 0.044 Uiso 1 1 calc R . .
C35 C 0.4810(2) 0.10522(18) 0.6459(3) 0.0458(13) Uani 1 1 d . . .
H35A H 0.5171 0.0982 0.6626 0.055 Uiso 1 1 calc R . .
C36 C 0.4734(3) 0.1392(2) 0.6202(3) 0.0505(15) Uani 1 1 d . . .
H36A H 0.5040 0.1556 0.6188 0.061 Uiso 1 1 calc R . .
C37 C 0.4201(3) 0.14889(19) 0.5963(4) 0.0552(16) Uani 1 1 d . . .
H37A H 0.4144 0.1722 0.5788 0.066 Uiso 1 1 calc R . .
C38 C 0.3755(3) 0.12525(17) 0.5977(3) 0.0474(14) Uani 1 1 d . . .
H38A H 0.3393 0.1324 0.5815 0.057 Uiso 1 1 calc R . .
C41 C 0.2099(2) 0.04674(13) 0.8833(2) 0.0286(9) Uani 1 1 d . . .
C42 C 0.1829(2) 0.07450(14) 0.8865(2) 0.0339(10) Uani 1 1 d . . .
C43 C 0.1500(2) 0.10639(15) 0.8922(3) 0.0358(10) Uani 1 1 d . . .
C44 C 0.1724(3) 0.13693(15) 0.9218(3) 0.0415(12) Uani 1 1 d . . .
H44A H 0.2106 0.1370 0.9367 0.050 Uiso 1 1 calc R . .
C45 C 0.1396(3) 0.16731(17) 0.9298(3) 0.0504(15) Uani 1 1 d . . .
H45A H 0.1552 0.1878 0.9513 0.060 Uiso 1 1 calc R . .
C46 C 0.0849(3) 0.1680(2) 0.9069(4) 0.0590(19) Uani 1 1 d . . .
H46A H 0.0626 0.1889 0.9120 0.071 Uiso 1 1 calc R . .
C47 C 0.0620(3) 0.1377(2) 0.8762(4) 0.0596(19) Uani 1 1 d . . .
H47A H 0.0239 0.1381 0.8604 0.072 Uiso 1 1 calc R . .
C48 C 0.0942(3) 0.10702(18) 0.8684(3) 0.0448(13) Uani 1 1 d . . .
H48A H 0.0785 0.0866 0.8471 0.054 Uiso 1 1 calc R . .
C101 C 0.3042(2) 0.24474(14) 0.0621(3) 0.0349(10) Uani 1 1 d . . .
C102 C 0.2838(3) 0.2333(2) -0.0012(3) 0.0502(15) Uani 1 1 d . . .
H10A H 0.2702 0.2096 -0.0065 0.060 Uiso 1 1 calc R . .
C103 C 0.2834(3) 0.2558(2) -0.0541(3) 0.0527(16) Uani 1 1 d . . .
H10B H 0.2699 0.2478 -0.0968 0.063 Uiso 1 1 calc R . .
C104 C 0.3024(3) 0.2908(2) -0.0473(4) 0.0562(17) Uani 1 1 d . . .
H10C H 0.3025 0.3063 -0.0854 0.067 Uiso 1 1 calc R . .
C105 C 0.3210(4) 0.30275(18) 0.0151(4) 0.0578(18) Uani 1 1 d . . .
H10D H 0.3334 0.3267 0.0202 0.069 Uiso 1 1 calc R . .
C106 C 0.3217(3) 0.27972(15) 0.0707(3) 0.0449(13) Uani 1 1 d . . .
H10E H 0.3341 0.2879 0.1138 0.054 Uiso 1 1 calc R . .
C111 C 0.3536(2) 0.17875(16) 0.0953(3) 0.0450(14) Uani 1 1 d . . .
C112 C 0.3971(3) 0.1887(2) 0.0521(4) 0.061(2) Uani 1 1 d . . .
H11A H 0.4005 0.2129 0.0384 0.073 Uiso 1 1 calc R . .
C113 C 0.4357(3) 0.1637(3) 0.0289(6) 0.092(4) Uani 1 1 d . . .
H11B H 0.4658 0.1707 -0.0002 0.110 Uiso 1 1 calc R . .
C114 C 0.4302(3) 0.1285(3) 0.0482(7) 0.099(4) Uani 1 1 d . . .
H11C H 0.4562 0.1112 0.0320 0.119 Uiso 1 1 calc R . .
C115 C 0.3875(4) 0.1186(2) 0.0903(6) 0.084(3) Uani 1 1 d . . .
H11D H 0.3840 0.0943 0.1034 0.101 Uiso 1 1 calc R . .
C116 C 0.3493(3) 0.14334(19) 0.1143(4) 0.059(2) Uani 1 1 d . . .
H11E H 0.3198 0.1361 0.1440 0.071 Uiso 1 1 calc R . .
C131 C 0.3176(3) 0.2500 0.2500 0.0275(12) Uani 1 2 d S . .
H13A H 0.2773 0.2500 0.2500 0.033 Uiso 1 2 calc SR . .
C132 C 0.34708(18) 0.23327(11) 0.1978(2) 0.0272(8) Uani 1 1 d . . .
C133 C 0.4055(2) 0.23353(13) 0.1977(3) 0.0327(9) Uani 1 1 d . . .
H13B H 0.4256 0.2224 0.1618 0.039 Uiso 1 1 calc R . .
C134 C 0.4352(3) 0.2500 0.2500 0.0390(17) Uani 1 2 d S . .
C135 C 0.4974(4) 0.2500 0.2500 0.070(4) Uani 1 2 d S . .
C136 C 0.5278(3) 0.2193(4) 0.2304(5) 0.099(5) Uani 1 1 d . . .
C137 C 0.5877(4) 0.2234(6) 0.2290(7) 0.165(10) Uani 1 1 d . . .
C201 C 0.13641(19) 0.15710(12) 0.3011(2) 0.0275(8) Uani 1 1 d . . .
C202 C 0.1328(3) 0.17651(17) 0.3603(3) 0.0456(13) Uani 1 1 d . . .
H20A H 0.1288 0.2017 0.3583 0.055 Uiso 1 1 calc R . .
C203 C 0.1349(4) 0.1594(2) 0.4230(3) 0.0615(19) Uani 1 1 d . . .
H20B H 0.1337 0.1730 0.4635 0.074 Uiso 1 1 calc R . .
C204 C 0.1389(3) 0.1231(2) 0.4263(3) 0.0566(17) Uani 1 1 d . . .
H20C H 0.1389 0.1115 0.4691 0.068 Uiso 1 1 calc R . .
C205 C 0.1428(3) 0.10324(17) 0.3675(3) 0.0503(15) Uani 1 1 d . . .
H20D H 0.1461 0.0780 0.3698 0.060 Uiso 1 1 calc R . .
C206 C 0.1420(3) 0.12030(14) 0.3051(3) 0.0400(11) Uani 1 1 d . . .
H20E H 0.1452 0.1067 0.2647 0.048 Uiso 1 1 calc R . .
C211 C 0.0929(2) 0.14858(12) 0.1677(2) 0.0264(8) Uani 1 1 d . . .
C212 C 0.1118(3) 0.13981(19) 0.1037(3) 0.0554(19) Uani 1 1 d . . .
H21A H 0.1447 0.1510 0.0859 0.066 Uiso 1 1 calc R . .
C213 C 0.0830(5) 0.1146(3) 0.0653(4) 0.098(4) Uani 1 1 d . . .
H21B H 0.0969 0.1081 0.0219 0.117 Uiso 1 1 calc R . .
C214 C 0.0347(4) 0.0994(3) 0.0898(4) 0.086(4) Uani 1 1 d . . .
H21C H 0.0160 0.0815 0.0640 0.103 Uiso 1 1 calc R . .
C215 C 0.0124(3) 0.10960(19) 0.1523(3) 0.0499(15) Uani 1 1 d . . .
H21D H -0.0231 0.1005 0.1674 0.060 Uiso 1 1 calc R . .
C216 C 0.0431(2) 0.13340(13) 0.1922(3) 0.0313(9) Uani 1 1 d . . .
H21E H 0.0300 0.1393 0.2363 0.038 Uiso 1 1 calc R . .
C231 C 0.1231(3) 0.2500 0.2500 0.0236(11) Uani 1 2 d S . .
H23A H 0.1633 0.2500 0.2500 0.028 Uiso 1 2 calc SR . .
C232 C 0.09345(18) 0.21868(11) 0.2348(2) 0.0247(7) Uani 1 1 d . . .
C233 C 0.0350(2) 0.21895(12) 0.2352(2) 0.0289(8) Uani 1 1 d . . .
H23B H 0.0147 0.1977 0.2252 0.035 Uiso 1 1 calc R . .
C234 C 0.0054(3) 0.2500 0.2500 0.0275(12) Uani 1 2 d S . .
C235 C -0.0577(3) 0.2500 0.2500 0.0334(14) Uani 1 2 d S . .
C236 C -0.0885(2) 0.27935(16) 0.2268(3) 0.0425(12) Uani 1 1 d . . .
H23C H -0.0697 0.3000 0.2104 0.051 Uiso 1 1 calc R . .
C237 C -0.1474(3) 0.2777(2) 0.2280(4) 0.0523(16) Uani 1 1 d . . .
H23D H -0.1679 0.2979 0.2120 0.063 Uiso 1 1 calc R . .
C301 C 0.1236(2) 0.03371(14) 0.5530(2) 0.0318(9) Uani 1 1 d . . .
C302 C 0.0818(2) 0.05955(15) 0.5444(3) 0.0366(10) Uani 1 1 d . . .
H30A H 0.0793 0.0790 0.5751 0.044 Uiso 1 1 calc R . .
C303 C 0.0437(2) 0.05701(18) 0.4908(3) 0.0428(12) Uani 1 1 d . . .
H30B H 0.0149 0.0745 0.4853 0.051 Uiso 1 1 calc R . .
C304 C 0.0477(3) 0.02887(18) 0.4453(3) 0.0471(13) Uani 1 1 d . . .
H30C H 0.0217 0.0271 0.4087 0.057 Uiso 1 1 calc R . .
C305 C 0.0897(3) 0.00323(19) 0.4533(3) 0.0515(16) Uani 1 1 d . . .
H30D H 0.0924 -0.0161 0.4223 0.062 Uiso 1 1 calc R . .
C306 C 0.1277(3) 0.00594(17) 0.5067(3) 0.0450(13) Uani 1 1 d . . .
H30E H 0.1568 -0.0114 0.5117 0.054 Uiso 1 1 calc R . .
C311 C 0.1815(2) 0.08194(13) 0.6428(2) 0.0320(9) Uani 1 1 d . . .
C312 C 0.1749(3) 0.09675(16) 0.7066(3) 0.0460(13) Uani 1 1 d . . .
H31A H 0.1637 0.0822 0.7436 0.055 Uiso 1 1 calc R . .
C313 C 0.1847(4) 0.13301(18) 0.7166(4) 0.0561(17) Uani 1 1 d . . .
H31B H 0.1812 0.1429 0.7607 0.067 Uiso 1 1 calc R . .
C314 C 0.1995(3) 0.15468(18) 0.6626(4) 0.0526(15) Uani 1 1 d . . .
H31C H 0.2038 0.1797 0.6688 0.063 Uiso 1 1 calc R . .
C315 C 0.2081(3) 0.13937(17) 0.5995(3) 0.0459(13) Uani 1 1 d . . .
H31D H 0.2195 0.1539 0.5626 0.055 Uiso 1 1 calc R . .
C316 C 0.2004(3) 0.10311(15) 0.5895(3) 0.0389(11) Uani 1 1 d . . .
H31E H 0.2079 0.0928 0.5465 0.047 Uiso 1 1 calc R . .
C331 C 0.1538(2) 0.00576(13) 0.7532(2) 0.0271(8) Uani 1 1 d . . .
H33A H 0.1941 0.0058 0.7553 0.032 Uiso 1 1 calc R . .
C332 C 0.1264(2) 0.01967(13) 0.6963(2) 0.0280(8) Uani 1 1 d . . .
C333 C 0.0679(2) 0.02060(13) 0.6948(2) 0.0292(8) Uani 1 1 d . . .
H33B H 0.0491 0.0310 0.6571 0.035 Uiso 1 1 calc R . .
C334 C 0.0362(2) 0.00638(14) 0.7480(2) 0.0280(8) Uani 1 1 d . . .
C335 C -0.0267(2) 0.00670(15) 0.7435(2) 0.0315(9) Uani 1 1 d . . .
C336 C -0.0559(3) 0.03752(18) 0.7254(3) 0.0454(13) Uani 1 1 d . . .
H33C H -0.0358 0.0588 0.7150 0.054 Uiso 1 1 calc R . .
C337 C -0.1145(3) 0.0370(2) 0.7227(4) 0.0547(17) Uani 1 1 d . . .
H33D H -0.1337 0.0584 0.7115 0.066 Uiso 1 1 calc R . .
C338 C -0.1172(3) -0.0215(2) 0.7519(3) 0.0483(15) Uani 1 1 d . . .
H33E H -0.1385 -0.0424 0.7613 0.058 Uiso 1 1 calc R . .
C339 C -0.0585(2) -0.02350(16) 0.7567(3) 0.0387(11) Uani 1 1 d . . .
H33F H -0.0405 -0.0453 0.7689 0.046 Uiso 1 1 calc R . .
C340 C 0.0639(2) -0.00843(13) 0.8035(2) 0.0284(8) Uani 1 1 d . . .
H34B H 0.0425 -0.0188 0.8391 0.034 Uiso 1 1 calc R . .
C341 C 0.12232(19) -0.00817(12) 0.8072(2) 0.0268(8) Uani 1 1 d . . .
C401 C 0.1610(2) -0.07394(13) 0.8647(2) 0.0296(8) Uani 1 1 d . . .
C402 C 0.1575(3) -0.08815(15) 0.7999(3) 0.0476(14) Uani 1 1 d . . .
H40A H 0.1534 -0.0727 0.7621 0.057 Uiso 1 1 calc R . .
C403 C 0.1598(4) -0.12460(18) 0.7901(3) 0.065(2) Uani 1 1 d . . .
H40B H 0.1579 -0.1341 0.7456 0.078 Uiso 1 1 calc R . .
C404 C 0.1649(4) -0.14735(17) 0.8455(4) 0.0561(17) Uani 1 1 d . . .
H40C H 0.1652 -0.1725 0.8390 0.067 Uiso 1 1 calc R . .
C405 C 0.1694(3) -0.13333(16) 0.9096(3) 0.0496(15) Uani 1 1 d . . .
H40D H 0.1733 -0.1489 0.9474 0.060 Uiso 1 1 calc R . .
C406 C 0.1684(3) -0.09654(15) 0.9198(3) 0.0436(13) Uani 1 1 d . . .
H40E H 0.1727 -0.0870 0.9641 0.052 Uiso 1 1 calc R . .
C411 C 0.1209(2) -0.01964(14) 0.9546(2) 0.0318(9) Uani 1 1 d . . .
C412 C 0.1382(4) 0.0058(2) 1.0015(3) 0.0561(18) Uani 1 1 d . . .
H41A H 0.1705 0.0202 0.9927 0.067 Uiso 1 1 calc R . .
C413 C 0.1079(4) 0.0101(2) 1.0615(3) 0.065(2) Uani 1 1 d . . .
H41B H 0.1191 0.0278 1.0932 0.078 Uiso 1 1 calc R . .
C414 C 0.0616(3) -0.0113(2) 1.0751(3) 0.0502(15) Uani 1 1 d . . .
H41C H 0.0424 -0.0094 1.1173 0.060 Uiso 1 1 calc R . .
C415 C 0.0435(3) -0.0352(2) 1.0281(3) 0.0511(15) Uani 1 1 d . . .
H41D H 0.0102 -0.0488 1.0359 0.061 Uiso 1 1 calc R . .
C416 C 0.0742(3) -0.03971(19) 0.9680(3) 0.0459(13) Uani 1 1 d . . .
H41E H 0.0622 -0.0571 0.9360 0.055 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0000 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'
Cl Cl 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt 0.0000 0.0000 '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
C1 Pt1 C11 177.8(2) . . ?
C1 Pt1 P1 86.83(16) . . ?
C11 Pt1 P1 95.14(14) . . ?
C1 Pt1 P2 93.38(16) . . ?
C11 Pt1 P2 84.58(13) . . ?
P1 Pt1 P2 175.21(4) . . ?
C31 Pt2 C31 179.5(2) . 2 ?
C31 Pt2 P3 93.37(14) . . ?
C31 Pt2 P3 86.60(14) 2 . ?
C31 Pt2 P3 86.60(14) . 2 ?
C31 Pt2 P3 93.37(14) 2 2 ?
P3 Pt2 P3 173.94(5) . 2 ?
C41 Pt3 C41 178.8(3) . 2 ?
C41 Pt3 P4 87.17(15) . . ?
C41 Pt3 P4 92.87(15) 2 . ?
C41 Pt3 P4 92.87(15) . 2 ?
C41 Pt3 P4 87.17(15) 2 2 ?
P4 Pt3 P4 176.19(5) . 2 ?
C101 P1 C111 101.3(3) . . ?
C101 P1 C132 105.3(2) . . ?
C111 P1 C132 104.0(2) . . ?
C101 P1 Pt1 117.36(18) . . ?
C111 P1 Pt1 117.6(2) . . ?
C132 P1 Pt1 109.78(15) . . ?
C201 P2 C211 103.3(2) . . ?
C201 P2 C232 102.8(2) . . ?
C211 P2 C232 107.6(2) . . ?
C201 P2 Pt1 117.48(15) . . ?
C211 P2 Pt1 114.27(15) . . ?
C232 P2 Pt1 110.36(14) . . ?
C311 P3 C301 104.7(2) . . ?
C311 P3 C332 104.4(2) . . ?
C301 P3 C332 104.1(2) . . ?
C311 P3 Pt2 116.79(17) . . ?
C301 P3 Pt2 116.30(17) . . ?
C332 P3 Pt2 109.24(15) . . ?
C401 P4 C411 104.2(2) . . ?
C401 P4 C341 103.8(2) . . ?
C411 P4 C341 107.6(2) . . ?
C401 P4 Pt3 116.82(17) . . ?
C411 P4 Pt3 113.87(18) . . ?
C341 P4 Pt3 109.70(16) . . ?
N1 N1 C137 105(2) 3 . ?
N1 N1 C137 38.5(13) 3 3 ?
C137 N1 C137 106.9(14) . 3 ?
C237 N2 C237 117.1(8) . 3 ?
C338 N3 C337 117.2(6) . . ?
C2 C1 Pt1 177.4(5) . . ?
Cl1 C01 Cl2 95.9(6) . . ?
Cl1 C01 H01A 112.6 . . ?
Cl2 C01 H01A 112.6 . . ?
Cl1 C01 H01B 112.6 . . ?
Cl2 C01 H01B 112.6 . . ?
H01A C01 H01B 110.1 . . ?
C1 C2 C3 178.1(7) . . ?
C8 C3 C4 118.0(7) . . ?
C8 C3 C2 121.9(7) . . ?
C4 C3 C2 120.0(8) . . ?
C3 C4 C5 118.9(11) . . ?
C3 C4 H4A 120.5 . . ?
C5 C4 H4A 120.5 . . ?
C6 C5 C4 120.4(10) . . ?
C6 C5 H5A 119.8 . . ?
C4 C5 H5A 119.8 . . ?
C7 C6 C5 119.3(8) . . ?
C7 C6 H6A 120.4 . . ?
C5 C6 H6A 120.4 . . ?
C6 C7 C8 121.6(11) . . ?
C6 C7 H7A 119.2 . . ?
C8 C7 H7A 119.2 . . ?
C3 C8 C7 121.8(10) . . ?
C3 C8 H8A 119.1 . . ?
C7 C8 H8A 119.1 . . ?
C12 C11 Pt1 173.3(4) . . ?
C11 C12 C13 176.1(6) . . ?
C14 C13 C18 118.3(7) . . ?
C14 C13 C12 121.8(7) . . ?
C18 C13 C12 119.9(6) . . ?
C15 C14 C13 120.4(10) . . ?
C15 C14 H14A 119.8 . . ?
C13 C14 H14A 119.8 . . ?
C16 C15 C14 120.2(9) . . ?
C16 C15 H15A 119.9 . . ?
C14 C15 H15A 119.9 . . ?
C17 C16 C15 120.8(8) . . ?
C17 C16 H16A 119.6 . . ?
C15 C16 H16A 119.6 . . ?
C16 C17 C18 119.7(10) . . ?
C16 C17 H17A 120.2 . . ?
C18 C17 H17A 120.2 . . ?
C17 C18 C13 120.6(8) . . ?
C17 C18 H18A 119.7 . . ?
C13 C18 H18A 119.7 . . ?
C32 C31 Pt2 174.7(4) . . ?
C31 C32 C33 175.5(5) . . ?
C34 C33 C38 118.4(5) . . ?
C34 C33 C32 120.5(5) . . ?
C38 C33 C32 121.1(5) . . ?
C35 C34 C33 121.0(6) . . ?
C35 C34 H34A 119.5 . . ?
C33 C34 H34A 119.5 . . ?
C36 C35 C34 120.3(6) . . ?
C36 C35 H35A 119.8 . . ?
C34 C35 H35A 119.8 . . ?
C35 C36 C37 118.8(6) . . ?
C35 C36 H36A 120.6 . . ?
C37 C36 H36A 120.6 . . ?
C38 C37 C36 121.1(6) . . ?
C38 C37 H37A 119.4 . . ?
C36 C37 H37A 119.4 . . ?
C37 C38 C33 120.3(6) . . ?
C37 C38 H38A 119.9 . . ?
C33 C38 H38A 119.9 . . ?
C42 C41 Pt3 176.1(5) . . ?
C41 C42 C43 177.9(6) . . ?
C44 C43 C48 119.0(5) . . ?
C44 C43 C42 121.1(5) . . ?
C48 C43 C42 119.9(5) . . ?
C45 C44 C43 120.9(6) . . ?
C45 C44 H44A 119.5 . . ?
C43 C44 H44A 119.5 . . ?
C46 C45 C44 120.3(6) . . ?
C46 C45 H45A 119.9 . . ?
C44 C45 H45A 119.9 . . ?
C45 C46 C47 119.6(6) . . ?
C45 C46 H46A 120.2 . . ?
C47 C46 H46A 120.2 . . ?
C48 C47 C46 120.6(7) . . ?
C48 C47 H47A 119.7 . . ?
C46 C47 H47A 119.7 . . ?
C47 C48 C43 119.6(6) . . ?
C47 C48 H48A 120.2 . . ?
C43 C48 H48A 120.2 . . ?
C106 C101 C102 120.0(6) . . ?
C106 C101 P1 122.5(4) . . ?
C102 C101 P1 117.5(4) . . ?
C103 C102 C101 120.1(6) . . ?
C103 C102 H10A 119.9 . . ?
C101 C102 H10A 119.9 . . ?
C102 C103 C104 121.0(7) . . ?
C102 C103 H10B 119.5 . . ?
C104 C103 H10B 119.5 . . ?
C105 C104 C103 119.6(6) . . ?
C105 C104 H10C 120.2 . . ?
C103 C104 H10C 120.2 . . ?
C104 C105 C106 120.2(6) . . ?
C104 C105 H10D 119.9 . . ?
C106 C105 H10D 119.9 . . ?
C101 C106 C105 119.1(6) . . ?
C101 C106 H10E 120.5 . . ?
C105 C106 H10E 120.5 . . ?
C116 C111 C112 118.7(6) . . ?
C116 C111 P1 120.9(5) . . ?
C112 C111 P1 120.2(5) . . ?
C111 C112 C113 120.5(9) . . ?
C111 C112 H11A 119.8 . . ?
C113 C112 H11A 119.8 . . ?
C114 C113 C112 119.6(9) . . ?
C114 C113 H11B 120.2 . . ?
C112 C113 H11B 120.2 . . ?
C115 C114 C113 120.1(7) . . ?
C115 C114 H11C 119.9 . . ?
C113 C114 H11C 119.9 . . ?
C114 C115 C116 120.7(10) . . ?
C114 C115 H11D 119.6 . . ?
C116 C115 H11D 119.6 . . ?
C115 C116 C111 120.3(9) . . ?
C115 C116 H11E 119.8 . . ?
C111 C116 H11E 119.8 . . ?
C132 C131 C132 120.0(6) 3 . ?
C132 C131 H13A 120.0 3 . ?
C132 C131 H13A 120.0 . . ?
C133 C132 C131 119.8(5) . . ?
C133 C132 P1 122.4(4) . . ?
C131 C132 P1 117.8(3) . . ?
C132 C133 C134 120.5(5) . . ?
C132 C133 H13B 119.8 . . ?
C134 C133 H13B 119.8 . . ?
C133 C134 C133 119.5(6) 3 . ?
C133 C134 C135 120.3(3) 3 . ?
C133 C134 C135 120.3(3) . . ?
C136 C135 C136 119.0(11) 3 . ?
C136 C135 C134 120.5(6) 3 . ?
C136 C135 C134 120.5(6) . . ?
C135 C136 C137 114.9(13) . . ?
N1 C137 C136 132.5(12) . . ?
N1 C137 N1 36.1(16) . 3 ?
C136 C137 N1 120.1(13) . 3 ?
C202 C201 C206 118.8(5) . . ?
C202 C201 P2 121.5(4) . . ?
C206 C201 P2 119.7(4) . . ?
C201 C202 C203 120.4(6) . . ?
C201 C202 H20A 119.8 . . ?
C203 C202 H20A 119.8 . . ?
C204 C203 C202 120.3(7) . . ?
C204 C203 H20B 119.9 . . ?
C202 C203 H20B 119.9 . . ?
C203 C204 C205 120.0(6) . . ?
C203 C204 H20C 120.0 . . ?
C205 C204 H20C 120.0 . . ?
C204 C205 C206 119.7(6) . . ?
C204 C205 H20D 120.1 . . ?
C206 C205 H20D 120.1 . . ?
C205 C206 C201 120.7(6) . . ?
C205 C206 H20E 119.6 . . ?
C201 C206 H20E 119.6 . . ?
C212 C211 C216 119.6(5) . . ?
C212 C211 P2 118.6(4) . . ?
C216 C211 P2 121.8(4) . . ?
C211 C212 C213 120.2(6) . . ?
C211 C212 H21A 119.9 . . ?
C213 C212 H21A 119.9 . . ?
C214 C213 C212 120.0(7) . . ?
C214 C213 H21B 120.0 . . ?
C212 C213 H21B 120.0 . . ?
C213 C214 C215 120.9(6) . . ?
C213 C214 H21C 119.5 . . ?
C215 C214 H21C 119.5 . . ?
C216 C215 C214 118.6(6) . . ?
C216 C215 H21D 120.7 . . ?
C214 C215 H21D 120.7 . . ?
C211 C216 C215 120.4(5) . . ?
C211 C216 H21E 119.8 . . ?
C215 C216 H21E 119.8 . . ?
C232 C231 C232 120.1(6) 3 . ?
C232 C231 H23A 120.0 3 . ?
C232 C231 H23A 120.0 . . ?
C233 C232 C231 119.5(4) . . ?
C233 C232 P2 123.4(3) . . ?
C231 C232 P2 117.1(3) . . ?
C232 C233 C234 120.7(5) . . ?
C232 C233 H23B 119.7 . . ?
C234 C233 H23B 119.7 . . ?
C233 C234 C233 119.6(6) 3 . ?
C233 C234 C235 120.2(3) 3 . ?
C233 C234 C235 120.2(3) . . ?
C236 C235 C236 117.3(7) . 3 ?
C236 C235 C234 121.4(4) . . ?
C236 C235 C234 121.4(4) 3 . ?
C237 C236 C235 118.7(7) . . ?
C237 C236 H23C 120.6 . . ?
C235 C236 H23C 120.6 . . ?
N2 C237 C236 124.1(7) . . ?
N2 C237 H23D 117.9 . . ?
C236 C237 H23D 117.9 . . ?
C306 C301 C302 119.4(5) . . ?
C306 C301 P3 119.8(4) . . ?
C302 C301 P3 120.8(4) . . ?
C303 C302 C301 120.2(5) . . ?
C303 C302 H30A 119.9 . . ?
C301 C302 H30A 119.9 . . ?
C304 C303 C302 119.9(5) . . ?
C304 C303 H30B 120.0 . . ?
C302 C303 H30B 120.0 . . ?
C303 C304 C305 120.1(5) . . ?
C303 C304 H30C 119.9 . . ?
C305 C304 H30C 119.9 . . ?
C306 C305 C304 119.8(6) . . ?
C306 C305 H30D 120.1 . . ?
C304 C305 H30D 120.1 . . ?
C305 C306 C301 120.6(6) . . ?
C305 C306 H30E 119.7 . . ?
C301 C306 H30E 119.7 . . ?
C312 C311 C316 119.6(5) . . ?
C312 C311 P3 122.6(4) . . ?
C316 C311 P3 117.7(4) . . ?
C311 C312 C313 120.1(6) . . ?
C311 C312 H31A 119.9 . . ?
C313 C312 H31A 119.9 . . ?
C314 C313 C312 120.3(6) . . ?
C314 C313 H31B 119.8 . . ?
C312 C313 H31B 119.8 . . ?
C313 C314 C315 119.0(6) . . ?
C313 C314 H31C 120.5 . . ?
C315 C314 H31C 120.5 . . ?
C316 C315 C314 121.0(6) . . ?
C316 C315 H31D 119.5 . . ?
C314 C315 H31D 119.5 . . ?
C315 C316 C311 119.7(5) . . ?
C315 C316 H31E 120.2 . . ?
C311 C316 H31E 120.2 . . ?
C332 C331 C341 120.2(5) . . ?
C332 C331 H33A 119.9 . . ?
C341 C331 H33A 119.9 . . ?
C333 C332 C331 119.4(4) . . ?
C333 C332 P3 123.2(3) . . ?
C331 C332 P3 117.4(3) . . ?
C332 C333 C334 120.6(4) . . ?
C332 C333 H33B 119.7 . . ?
C334 C333 H33B 119.7 . . ?
C340 C334 C333 119.6(4) . . ?
C340 C334 C335 121.3(4) . . ?
C333 C334 C335 119.1(4) . . ?
C339 C335 C336 117.3(5) . . ?
C339 C335 C334 121.6(5) . . ?
C336 C335 C334 121.1(5) . . ?
C337 C336 C335 119.5(6) . . ?
C337 C336 H33C 120.2 . . ?
C335 C336 H33C 120.2 . . ?
N3 C337 C336 123.2(6) . . ?
N3 C337 H33D 118.4 . . ?
C336 C337 H33D 118.4 . . ?
N3 C338 C339 123.8(7) . . ?
N3 C338 H33E 118.1 . . ?
C339 C338 H33E 118.1 . . ?
C335 C339 C338 118.9(6) . . ?
C335 C339 H33F 120.6 . . ?
C338 C339 H33F 120.6 . . ?
C341 C340 C334 120.5(4) . . ?
C341 C340 H34B 119.7 . . ?
C334 C340 H34B 119.7 . . ?
C340 C341 C331 119.5(4) . . ?
C340 C341 P4 124.0(3) . . ?
C331 C341 P4 116.4(3) . . ?
C402 C401 C406 119.6(5) . . ?
C402 C401 P4 121.2(4) . . ?
C406 C401 P4 118.9(4) . . ?
C403 C402 C401 120.4(5) . . ?
C403 C402 H40A 119.8 . . ?
C401 C402 H40A 119.8 . . ?
C402 C403 C404 120.0(6) . . ?
C402 C403 H40B 120.0 . . ?
C404 C403 H40B 120.0 . . ?
C405 C404 C403 119.7(6) . . ?
C405 C404 H40C 120.2 . . ?
C403 C404 H40C 120.2 . . ?
C404 C405 C406 120.7(6) . . ?
C404 C405 H40D 119.7 . . ?
C406 C405 H40D 119.7 . . ?
C401 C406 C405 119.5(5) . . ?
C401 C406 H40E 120.2 . . ?
C405 C406 H40E 120.2 . . ?
C416 C411 C412 119.2(5) . . ?
C416 C411 P4 121.8(4) . . ?
C412 C411 P4 119.0(4) . . ?
C411 C412 C413 119.6(7) . . ?
C411 C412 H41A 120.2 . . ?
C413 C412 H41A 120.2 . . ?
C414 C413 C412 120.3(7) . . ?
C414 C413 H41B 119.9 . . ?
C412 C413 H41B 119.9 . . ?
C415 C414 C413 119.9(6) . . ?
C415 C414 H41C 120.0 . . ?
C413 C414 H41C 120.0 . . ?
C414 C415 C416 119.7(6) . . ?
C414 C415 H41D 120.2 . . ?
C416 C415 H41D 120.2 . . ?
C411 C416 C415 121.2(6) . . ?
C411 C416 H41E 119.4 . . ?
C415 C416 H41E 119.4 . . ?
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 1.999(5) . ?
Pt1 C11 2.004(5) . ?
Pt1 P1 2.2831(12) . ?
Pt1 P2 2.2845(11) . ?
Pt2 C31 2.000(5) . ?
Pt2 C31 2.000(5) 2 ?
Pt2 P3 2.2880(13) . ?
Pt2 P3 2.2880(13) 2 ?
Pt3 C41 1.991(4) . ?
Pt3 C41 1.991(4) 2 ?
Pt3 P4 2.2828(13) . ?
Pt3 P4 2.2828(13) 2 ?
Cl1 C01 1.814(12) . ?
Cl2 C01 1.886(14) . ?
P1 C101 1.813(6) . ?
P1 C111 1.824(5) . ?
P1 C132 1.829(5) . ?
P2 C201 1.807(4) . ?
P2 C211 1.817(4) . ?
P2 C232 1.829(4) . ?
P3 C311 1.811(5) . ?
P3 C301 1.822(5) . ?
P3 C332 1.826(5) . ?
P4 C401 1.810(5) . ?
P4 C411 1.816(4) . ?
P4 C341 1.827(4) . ?
O1 C03 1.344(16) . ?
N1 N1 0.98(3) 3 ?
N1 C137 1.04(2) . ?
N1 C137 1.61(3) 3 ?
N2 C237 1.321(9) . ?
N2 C237 1.321(9) 3 ?
N3 C338 1.327(10) . ?
N3 C337 1.328(11) . ?
C1 C2 1.213(7) . ?
C01 H01A 0.9900 . ?
C01 H01B 0.9900 . ?
C2 C3 1.439(8) . ?
C3 C8 1.377(12) . ?
C3 C4 1.393(11) . ?
C4 C5 1.427(13) . ?
C4 H4A 0.9500 . ?
C5 C6 1.391(18) . ?
C5 H5A 0.9500 . ?
C6 C7 1.326(18) . ?
C6 H6A 0.9500 . ?
C7 C8 1.385(9) . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9500 . ?
C11 C12 1.212(7) . ?
C12 C13 1.438(8) . ?
C13 C14 1.392(9) . ?
C13 C18 1.394(11) . ?
C14 C15 1.387(12) . ?
C14 H14A 0.9500 . ?
C15 C16 1.365(18) . ?
C15 H15A 0.9500 . ?
C16 C17 1.365(16) . ?
C16 H16A 0.9500 . ?
C17 C18 1.393(9) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C31 C32 1.210(7) . ?
C32 C33 1.435(7) . ?
C33 C34 1.392(7) . ?
C33 C38 1.395(8) . ?
C34 C35 1.384(8) . ?
C34 H34A 0.9500 . ?
C35 C36 1.383(10) . ?
C35 H35A 0.9500 . ?
C36 C37 1.391(10) . ?
C36 H36A 0.9500 . ?
C37 C38 1.377(9) . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9500 . ?
C41 C42 1.222(6) . ?
C42 C43 1.430(7) . ?
C43 C44 1.389(8) . ?
C43 C48 1.398(8) . ?
C44 C45 1.386(8) . ?
C44 H44A 0.9500 . ?
C45 C46 1.368(11) . ?
C45 H45A 0.9500 . ?
C46 C47 1.395(12) . ?
C46 H46A 0.9500 . ?
C47 C48 1.388(9) . ?
C47 H47A 0.9500 . ?
C48 H48A 0.9500 . ?
C101 C106 1.386(7) . ?
C101 C102 1.404(8) . ?
C102 C103 1.343(10) . ?
C102 H10A 0.9500 . ?
C103 C104 1.390(11) . ?
C103 H10B 0.9500 . ?
C104 C105 1.383(11) . ?
C104 H10C 0.9500 . ?
C105 C106 1.395(9) . ?
C105 H10D 0.9500 . ?
C106 H10E 0.9500 . ?
C111 C116 1.383(10) . ?
C111 C112 1.386(9) . ?
C112 C113 1.387(9) . ?
C112 H11A 0.9500 . ?
C113 C114 1.378(17) . ?
C113 H11B 0.9500 . ?
C114 C115 1.357(16) . ?
C114 H11C 0.9500 . ?
C115 C116 1.378(9) . ?
C115 H11D 0.9500 . ?
C116 H11E 0.9500 . ?
C131 C132 1.393(5) 3 ?
C131 C132 1.393(5) . ?
C131 H13A 0.9500 . ?
C132 C133 1.378(6) . ?
C133 C134 1.391(6) . ?
C133 H13B 0.9500 . ?
C134 C133 1.391(6) 3 ?
C134 C135 1.469(12) . ?
C135 C136 1.410(11) 3 ?
C135 C136 1.410(11) . ?
C136 C137 1.422(14) . ?
C137 N1 1.61(3) 3 ?
C201 C202 1.379(7) . ?
C201 C206 1.388(7) . ?
C202 C203 1.395(8) . ?
C202 H20A 0.9500 . ?
C203 C204 1.367(11) . ?
C203 H20B 0.9500 . ?
C204 C205 1.381(11) . ?
C204 H20C 0.9500 . ?
C205 C206 1.388(8) . ?
C205 H20D 0.9500 . ?
C206 H20E 0.9500 . ?
C211 C212 1.379(7) . ?
C211 C216 1.391(6) . ?
C212 C213 1.388(9) . ?
C212 H21A 0.9500 . ?
C213 C214 1.364(11) . ?
C213 H21B 0.9500 . ?
C214 C215 1.394(11) . ?
C214 H21C 0.9500 . ?
C215 C216 1.393(8) . ?
C215 H21D 0.9500 . ?
C216 H21E 0.9500 . ?
C231 C232 1.399(5) 3 ?
C231 C232 1.399(5) . ?
C231 H23A 0.9500 . ?
C232 C233 1.380(6) . ?
C233 C234 1.388(6) . ?
C233 H23B 0.9500 . ?
C234 C233 1.388(6) 3 ?
C234 C235 1.490(10) . ?
C235 C236 1.396(7) . ?
C235 C236 1.396(7) 3 ?
C236 C237 1.390(8) . ?
C236 H23C 0.9500 . ?
C237 H23D 0.9500 . ?
C301 C306 1.389(8) . ?
C301 C302 1.392(7) . ?
C302 C303 1.392(7) . ?
C302 H30A 0.9500 . ?
C303 C304 1.388(9) . ?
C303 H30B 0.9500 . ?
C304 C305 1.390(10) . ?
C304 H30C 0.9500 . ?
C305 C306 1.388(8) . ?
C305 H30D 0.9500 . ?
C306 H30E 0.9500 . ?
C311 C312 1.385(7) . ?
C311 C316 1.389(7) . ?
C312 C313 1.393(9) . ?
C312 H31A 0.9500 . ?
C313 C314 1.385(10) . ?
C313 H31B 0.9500 . ?
C314 C315 1.386(10) . ?
C314 H31C 0.9500 . ?
C315 C316 1.386(9) . ?
C315 H31D 0.9500 . ?
C316 H31E 0.9500 . ?
C331 C332 1.398(6) . ?
C331 C341 1.400(6) . ?
C331 H33A 0.9500 . ?
C332 C333 1.380(6) . ?
C333 C334 1.395(6) . ?
C333 H33B 0.9500 . ?
C334 C340 1.390(6) . ?
C334 C335 1.488(7) . ?
C335 C339 1.383(8) . ?
C335 C336 1.392(8) . ?
C336 C337 1.383(9) . ?
C336 H33C 0.9500 . ?
C337 H33D 0.9500 . ?
C338 C339 1.390(8) . ?
C338 H33E 0.9500 . ?
C339 H33F 0.9500 . ?
C340 C341 1.380(6) . ?
C340 H34B 0.9500 . ?
C401 C402 1.387(7) . ?
C401 C406 1.389(7) . ?
C402 C403 1.381(8) . ?
C402 H40A 0.9500 . ?
C403 C404 1.391(10) . ?
C403 H40B 0.9500 . ?
C404 C405 1.374(9) . ?
C404 H40C 0.9500 . ?
C405 C406 1.394(8) . ?
C405 H40D 0.9500 . ?
C406 H40E 0.9500 . ?
C411 C416 1.360(8) . ?
C411 C412 1.391(9) . ?
C412 C413 1.392(9) . ?
C412 H41A 0.9500 . ?
C413 C414 1.383(12) . ?
C413 H41B 0.9500 . ?
C414 C415 1.358(10) . ?
C414 H41C 0.9500 . ?
C415 C416 1.399(7) . ?
C415 H41D 0.9500 . ?
C416 H41E 0.9500 . ?
