#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:05:27 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180286 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/00/7150087.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_7150087
loop_
_publ_author_name
'Jeon, Young Jin'
'Kim, Soo-Young'
'Ko, Young Ho'
'Sakamoto, Shigeru'
'Yamaguchi, Kentaro'
'Kim, Kimoon'
_publ_section_title
;
 Novel molecular drug carrier: encapsulation of oxaliplatin in
 cucurbit[7]uril and its effects on stability and reactivity of the
 drug.
;
_journal_issue                   11
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              2122
_journal_page_last               2125
_journal_paper_doi               10.1039/b504487a
_journal_volume                  3
_journal_year                    2005
_chemical_formula_sum            'C50 H82 N30 O31 Pt'
_chemical_formula_weight         1794.55
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   23.6543(5)
_cell_length_b                   30.23670(10)
_cell_length_c                   31.2827(6)
_cell_measurement_reflns_used    7138
_cell_measurement_temperature    223(2)
_cell_volume                     22374.3(6)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    XP
_computing_publication_material  XCIF
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'SMART CCD'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0993
_diffrn_reflns_av_sigmaI/netI    0.1595
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            89939
_diffrn_reflns_theta_full        24.11
_diffrn_reflns_theta_max         24.11
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.986
_exptl_absorpt_correction_T_max  0.7550
_exptl_absorpt_correction_T_min  0.6366
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.598
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             11016
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.037
_refine_diff_density_min         -0.673
_refine_diff_density_rms         0.123
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.009(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     3015
_refine_ls_number_reflns         35014
_refine_ls_number_restraints     287
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1643
_refine_ls_R_factor_gt           0.0827
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1009P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1744
_refine_ls_wR_factor_ref         0.2162
_reflns_number_gt                19231
_reflns_number_total             35014
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b504487a.txt
_cod_data_source_block           xc686
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               7150087
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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 0.88675(3) 0.15057(2) 0.032639(18) 0.04771(17) Uani 1 1 d . . .
O1A O 0.8771(5) 0.2128(3) 0.0123(3) 0.057(3) Uani 1 1 d . . .
O2A O 0.8043(4) 0.1438(3) 0.0173(3) 0.052(3) Uani 1 1 d . . .
O3A O 0.8133(5) 0.2505(4) -0.0282(4) 0.073(3) Uani 1 1 d . . .
O4A O 0.7377(4) 0.1805(3) -0.0203(3) 0.063(3) Uani 1 1 d . . .
N1A N 0.9705(5) 0.1545(4) 0.0446(4) 0.061(4) Uani 1 1 d . . .
H1A1 H 0.9894 0.1577 0.0194 0.073 Uiso 1 1 calc R . .
H1A2 H 0.9775 0.1789 0.0607 0.073 Uiso 1 1 calc R . .
N2A N 0.8979(5) 0.0872(4) 0.0524(4) 0.054(3) Uani 1 1 d . . .
H2A1 H 0.8869 0.0844 0.0801 0.065 Uiso 1 1 calc R . .
H2A2 H 0.8765 0.0686 0.0362 0.065 Uiso 1 1 calc R . .
C1A C 0.9925(7) 0.1148(5) 0.0673(5) 0.055(4) Uani 1 1 d . . .
H1AA H 0.9820 0.1177 0.0978 0.065 Uiso 1 1 calc R . .
C2A C 1.0532(7) 0.1068(5) 0.0651(6) 0.068(5) Uani 1 1 d . . .
H2AA H 1.0733 0.1320 0.0777 0.081 Uiso 1 1 calc R . .
H2AB H 1.0648 0.1044 0.0351 0.081 Uiso 1 1 calc R . .
C3A C 1.0699(8) 0.0645(7) 0.0889(7) 0.101(7) Uani 1 1 d . . .
H3AA H 1.1105 0.0593 0.0853 0.122 Uiso 1 1 calc R . .
H3AB H 1.0623 0.0682 0.1195 0.122 Uiso 1 1 calc R . .
C4A C 1.0379(8) 0.0258(6) 0.0726(7) 0.093(7) Uani 1 1 d . . .
H4AA H 1.0470 0.0000 0.0902 0.112 Uiso 1 1 calc R . .
H4AB H 1.0501 0.0195 0.0433 0.112 Uiso 1 1 calc R . .
C5A C 0.9735(7) 0.0330(5) 0.0730(6) 0.067(5) Uani 1 1 d . . .
H5AA H 0.9602 0.0354 0.1025 0.081 Uiso 1 1 calc R . .
H5AB H 0.9547 0.0075 0.0597 0.081 Uiso 1 1 calc R . .
C6A C 0.9580(7) 0.0756(5) 0.0482(5) 0.062(5) Uani 1 1 d . . .
H6AA H 0.9676 0.0719 0.0177 0.075 Uiso 1 1 calc R . .
C7A C 0.8286(9) 0.2178(6) -0.0072(5) 0.064(5) Uani 1 1 d . . .
C8A C 0.7852(8) 0.1790(6) -0.0039(5) 0.061(5) Uani 1 1 d . . .
Pt2 Pt 0.69065(3) 0.23289(2) 0.35374(2) 0.0580(2) Uani 1 1 d . . .
O1B O 0.6547(5) 0.1892(4) 0.3943(4) 0.075(3) Uani 1 1 d . . .
O2B O 0.7323(5) 0.2527(4) 0.4067(3) 0.070(3) Uani 1 1 d . . .
O3B O 0.6361(7) 0.1879(6) 0.4658(5) 0.136(6) Uani 1 1 d . . .
O4B O 0.7231(8) 0.2464(6) 0.4780(4) 0.144(7) Uani 1 1 d . . .
N1B N 0.6477(6) 0.2160(5) 0.3022(5) 0.090(5) Uani 1 1 d . . .
H1B1 H 0.6629 0.1911 0.2906 0.108 Uiso 1 1 calc R . .
H1B2 H 0.6112 0.2100 0.3094 0.108 Uiso 1 1 calc R . .
N2B N 0.7235(6) 0.2795(4) 0.3141(4) 0.060(4) Uani 1 1 d . . .
H2B1 H 0.7105 0.3067 0.3217 0.072 Uiso 1 1 calc R . .
H2B2 H 0.7618 0.2796 0.3164 0.072 Uiso 1 1 calc R . .
C1B C 0.6494(7) 0.2539(6) 0.2693(6) 0.069(5) Uani 1 1 d . . .
H1BA H 0.6252 0.2781 0.2801 0.082 Uiso 1 1 calc R . .
C2B C 0.6292(8) 0.2419(7) 0.2265(6) 0.097(7) Uani 1 1 d . . .
H2BA H 0.5901 0.2314 0.2287 0.117 Uiso 1 1 calc R . .
H2BB H 0.6523 0.2174 0.2157 0.117 Uiso 1 1 calc R . .
C3B C 0.6315(9) 0.2798(7) 0.1946(7) 0.102(7) Uani 1 1 d . . .
H3BA H 0.6044 0.3028 0.2028 0.123 Uiso 1 1 calc R . .
H3BB H 0.6215 0.2691 0.1660 0.123 Uiso 1 1 calc R . .
C4B C 0.6934(10) 0.2995(6) 0.1941(6) 0.096(7) Uani 1 1 d . . .
H4BA H 0.6939 0.3268 0.1772 0.115 Uiso 1 1 calc R . .
H4BB H 0.7192 0.2783 0.1807 0.115 Uiso 1 1 calc R . .
C5B C 0.7138(7) 0.3096(7) 0.2412(5) 0.079(6) Uani 1 1 d . . .
H5BA H 0.7537 0.3184 0.2409 0.095 Uiso 1 1 calc R . .
H5BB H 0.6918 0.3341 0.2531 0.095 Uiso 1 1 calc R . .
C6B C 0.7066(7) 0.2696(6) 0.2682(5) 0.063(5) Uani 1 1 d . . .
H6BA H 0.7313 0.2458 0.2570 0.076 Uiso 1 1 calc R . .
C7B C 0.6632(9) 0.2034(7) 0.4341(7) 0.087(6) Uani 1 1 d . . .
C8B C 0.7110(9) 0.2374(7) 0.4420(7) 0.085(6) Uani 1 1 d . . .
Pt3 Pt 0.36952(11) 0.42625(10) 0.44094(6) 0.0521(9) Uani 0.545(8) 1 d PD A 1
O1C O 0.3881(10) 0.4174(6) 0.3796(6) 0.090(7) Uiso 0.545(8) 1 d PD A 1
O2C O 0.2940(10) 0.4180(5) 0.4175(7) 0.071(6) Uiso 0.545(8) 1 d PD A 1
O3C O 0.3437(12) 0.4001(7) 0.3203(9) 0.123(10) Uiso 0.545(8) 1 d PD A 1
O4C O 0.2449(9) 0.4023(6) 0.3607(7) 0.076(7) Uiso 0.545(8) 1 d PD A 1
N1C N 0.4442(9) 0.4348(7) 0.4621(7) 0.089(9) Uiso 0.545(8) 1 d PD A 1
H01 H 0.4626 0.4084 0.4627 0.107 Uiso 0.545(8) 1 calc PR A 1
H02 H 0.4634 0.4531 0.4442 0.107 Uiso 0.545(8) 1 calc PR A 1
N2C N 0.3566(10) 0.4281(9) 0.5015(7) 0.096(13) Uiso 0.545(8) 1 d PD A 1
H03 H 0.3319 0.4503 0.5071 0.115 Uiso 0.545(8) 1 calc PR A 1
H04 H 0.3399 0.4022 0.5094 0.115 Uiso 0.545(8) 1 calc PR A 1
C1C C 0.4440(11) 0.4540(14) 0.5054(8) 0.086(13) Uiso 0.545(8) 1 d PD A 1
H05 H 0.4319 0.4852 0.5025 0.104 Uiso 0.545(8) 1 calc PR A 1
C2C C 0.5045(13) 0.4544(18) 0.5253(11) 0.15(2) Uiso 0.545(8) 1 d PD A 1
H06 H 0.5197 0.4243 0.5272 0.185 Uiso 0.545(8) 1 calc PR A 1
H07 H 0.5303 0.4724 0.5081 0.185 Uiso 0.545(8) 1 calc PR A 1
C3C C 0.4968(16) 0.4747(16) 0.5708(11) 0.117(17) Uiso 0.545(8) 1 d PD A 1
H08 H 0.5332 0.4743 0.5858 0.141 Uiso 0.545(8) 1 calc PR A 1
H09 H 0.4849 0.5056 0.5681 0.141 Uiso 0.545(8) 1 calc PR A 1
C4C C 0.4584(13) 0.4526(13) 0.5943(8) 0.071(10) Uiso 0.545(8) 1 d PD A 1
H010 H 0.4507 0.4701 0.6200 0.085 Uiso 0.545(8) 1 calc PR A 1
H011 H 0.4757 0.4248 0.6036 0.085 Uiso 0.545(8) 1 calc PR A 1
C5C C 0.4019(14) 0.4416(15) 0.5736(8) 0.099(15) Uiso 0.545(8) 1 d PD A 1
H012 H 0.3864 0.4148 0.5869 0.118 Uiso 0.545(8) 1 calc PR A 1
H013 H 0.3752 0.4658 0.5788 0.118 Uiso 0.545(8) 1 calc PR A 1
C6C C 0.4074(10) 0.4346(14) 0.5280(7) 0.055(10) Uiso 0.545(8) 1 d PD A 1
H014 H 0.4230 0.4042 0.5278 0.066 Uiso 0.545(8) 1 calc PR A 1
C7C C 0.3370(15) 0.4078(7) 0.3562(12) 0.086(11) Uiso 0.545(8) 1 d PD A 1
C8C C 0.2873(15) 0.4092(7) 0.3820(11) 0.074(10) Uiso 0.545(8) 1 d PD A 1
Pt3' Pt 0.38277(19) 0.4520(4) 0.4356(2) 0.141(3) Uani 0.455(8) 1 d PD A 2
O1C' O 0.3999(13) 0.4726(10) 0.3766(8) 0.151(15) Uiso 0.455(8) 1 d PD A 2
O2C' O 0.3202(14) 0.4273(11) 0.4022(10) 0.33(5) Uiso 0.455(8) 1 d PD A 2
O3C' O 0.3504(18) 0.4982(12) 0.3244(12) 0.20(2) Uiso 0.455(8) 1 d PD A 2
O4C' O 0.2593(14) 0.4449(13) 0.3531(11) 0.173(17) Uiso 0.455(8) 1 d PD A 2
N1C' N 0.4494(9) 0.4745(9) 0.4608(7) 0.061(8) Uiso 0.455(8) 1 d PD A 2
H015 H 0.4788 0.4560 0.4552 0.073 Uiso 0.455(8) 1 calc PR A 2
H016 H 0.4576 0.5014 0.4494 0.073 Uiso 0.455(8) 1 calc PR A 2
N2C' N 0.3622(11) 0.4434(12) 0.4944(7) 0.100(17) Uiso 0.455(8) 1 d PD A 2
H017 H 0.3324 0.4613 0.5006 0.120 Uiso 0.455(8) 1 calc PR A 2
H018 H 0.3505 0.4149 0.4978 0.120 Uiso 0.455(8) 1 calc PR A 2
C1C' C 0.4423(11) 0.4787(14) 0.5068(7) 0.053(10) Uiso 0.455(8) 1 d PD A 2
H019 H 0.4236 0.5078 0.5099 0.063 Uiso 0.455(8) 1 calc PR A 2
C2C' C 0.4996(11) 0.4856(12) 0.5300(9) 0.047(9) Uiso 0.455(8) 1 d PD A 2
H020 H 0.5224 0.5081 0.5156 0.056 Uiso 0.455(8) 1 calc PR A 2
H021 H 0.5212 0.4579 0.5310 0.056 Uiso 0.455(8) 1 calc PR A 2
C3C' C 0.4831(17) 0.5010(16) 0.5760(11) 0.091(15) Uiso 0.455(8) 1 d PD A 2
H022 H 0.5170 0.5002 0.5939 0.109 Uiso 0.455(8) 1 calc PR A 2
H023 H 0.4705 0.5318 0.5744 0.109 Uiso 0.455(8) 1 calc PR A 2
C4C' C 0.4432(18) 0.4776(19) 0.5949(11) 0.12(2) Uiso 0.455(8) 1 d PD A 2
H024 H 0.4306 0.4943 0.6200 0.143 Uiso 0.455(8) 1 calc PR A 2
H025 H 0.4607 0.4503 0.6054 0.143 Uiso 0.455(8) 1 calc PR A 2
C5C' C 0.3904(15) 0.4646(16) 0.5694(9) 0.084(14) Uiso 0.455(8) 1 d PD A 2
H026 H 0.3715 0.4395 0.5832 0.101 Uiso 0.455(8) 1 calc PR A 2
H027 H 0.3639 0.4894 0.5684 0.101 Uiso 0.455(8) 1 calc PR A 2
C6C' C 0.4080(15) 0.4523(18) 0.5254(9) 0.14(3) Uiso 0.455(8) 1 d PD A 2
H028 H 0.4288 0.4240 0.5284 0.173 Uiso 0.455(8) 1 calc PR A 2
C7C' C 0.3466(18) 0.4755(12) 0.3530(12) 0.17(3) Uiso 0.455(8) 1 d PD A 2
C8C' C 0.3055(18) 0.4463(13) 0.3717(12) 0.19(3) Uiso 0.455(8) 1 d PD A 2
O101 O 0.8555(5) 0.0246(5) -0.0105(4) 0.078(4) Uani 1 1 d . . .
O102 O 0.8243(5) 0.0213(4) 0.1015(4) 0.079(4) Uani 1 1 d . . .
O103 O 0.8858(5) 0.0919(4) 0.1690(4) 0.097(4) Uani 1 1 d . . .
O104 O 0.9893(5) 0.1928(4) 0.1475(4) 0.082(4) Uani 1 1 d . . .
O105 O 1.0479(4) 0.2353(3) 0.0570(3) 0.058(3) Uani 1 1 d . . .
O106 O 1.0217(5) 0.1843(4) -0.0474(4) 0.072(3) Uani 1 1 d . . .
O107 O 0.9374(6) 0.0979(4) -0.0783(4) 0.086(4) Uani 1 1 d . . .
O108 O 1.0375(6) -0.1103(5) 0.0012(5) 0.115(5) Uani 1 1 d . . .
O109 O 1.0237(7) -0.1031(5) 0.1040(6) 0.125(6) Uani 1 1 d . . .
O110 O 1.0932(6) -0.0267(5) 0.1868(5) 0.105(5) Uani 1 1 d . . .
O111 O 1.1892(6) 0.0651(5) 0.1741(4) 0.099(5) Uani 1 1 d . . .
O112 O 1.2523(5) 0.1162(4) 0.0745(4) 0.083(4) Uani 1 1 d . . .
O113 O 1.2247(5) 0.0703(4) -0.0190(4) 0.072(4) Uani 1 1 d . . .
O114 O 1.1293(6) -0.0313(5) -0.0494(6) 0.101(5) Uani 1 1 d . . .
N101 N 0.9015(7) -0.0218(5) -0.0563(7) 0.088(5) Uani 1 1 d . . .
N102 N 0.8693(6) -0.0466(5) 0.0062(5) 0.071(4) Uani 1 1 d . . .
N103 N 0.8499(7) -0.0491(7) 0.0814(7) 0.100(6) Uani 1 1 d . . .
N104 N 0.8668(5) -0.0242(6) 0.1488(6) 0.083(5) Uani 1 1 d . . .
N105 N 0.9079(6) 0.0242(6) 0.1976(5) 0.082(6) Uani 1 1 d . . .
N106 N 0.9669(7) 0.0803(6) 0.2068(5) 0.081(5) Uani 1 1 d . . .
N107 N 1.0298(6) 0.1436(5) 0.1974(4) 0.072(4) Uani 1 1 d . . .
N108 N 1.0846(7) 0.1917(5) 0.1617(4) 0.066(4) Uani 1 1 d . . .
N109 N 1.1255(6) 0.2268(4) 0.0996(4) 0.062(4) Uani 1 1 d . . .
N110 N 1.1356(5) 0.2197(4) 0.0295(4) 0.047(3) Uani 1 1 d . . .
N111 N 1.1208(6) 0.1892(4) -0.0412(4) 0.051(3) Uani 1 1 d . . .
N112 N 1.0837(6) 0.1450(5) -0.0896(5) 0.073(4) Uani 1 1 d . . .
N113 N 1.0249(8) 0.0842(6) -0.1065(5) 0.075(4) Uani 1 1 d . . .
N114 N 0.9658(7) 0.0282(7) -0.0894(5) 0.096(6) Uani 1 1 d . . .
N115 N 0.9817(8) -0.0751(6) -0.0465(7) 0.100(6) Uani 1 1 d . . .
N116 N 0.9437(9) -0.1046(5) 0.0058(6) 0.091(5) Uani 1 1 d . . .
N117 N 0.9304(8) -0.1032(6) 0.0825(7) 0.097(6) Uani 1 1 d . . .
N118 N 0.9508(8) -0.0743(7) 0.1442(7) 0.109(7) Uani 1 1 d . . .
N119 N 0.9932(7) -0.0204(6) 0.1960(5) 0.081(5) Uani 1 1 d . . .
N120 N 1.0468(7) 0.0344(6) 0.2226(5) 0.074(5) Uani 1 1 d . . .
N121 N 1.1087(7) 0.0931(6) 0.2085(5) 0.078(5) Uani 1 1 d . . .
N122 N 1.1663(6) 0.1421(6) 0.1709(4) 0.081(5) Uani 1 1 d . . .
N123 N 1.2029(6) 0.1703(5) 0.1056(5) 0.068(4) Uani 1 1 d . . .
N124 N 1.2225(5) 0.1754(4) 0.0372(4) 0.049(3) Uani 1 1 d . . .
N125 N 1.2040(5) 0.1457(4) -0.0337(4) 0.057(3) Uani 1 1 d . . .
N126 N 1.1599(5) 0.0934(4) -0.0715(5) 0.058(4) Uani 1 1 d . . .
N127 N 1.1017(6) 0.0306(5) -0.0874(5) 0.072(4) Uani 1 1 d . . .
N128 N 1.0435(8) -0.0274(6) -0.0866(6) 0.092(5) Uani 1 1 d . . .
C101 C 0.8726(8) -0.0109(8) -0.0182(7) 0.067(5) Uani 1 1 d . . .
C102 C 0.8279(9) -0.0509(7) 0.0403(7) 0.090(6) Uani 1 1 d . . .
H10A H 0.7999 -0.0272 0.0372 0.108 Uiso 1 1 calc R . .
H10B H 0.8081 -0.0791 0.0368 0.108 Uiso 1 1 calc R . .
C103 C 0.8450(8) -0.0139(9) 0.1108(8) 0.091(7) Uani 1 1 d . . .
C104 C 0.8575(9) 0.0028(8) 0.1863(7) 0.096(7) Uani 1 1 d . . .
H10C H 0.8281 0.0248 0.1804 0.115 Uiso 1 1 calc R . .
H10D H 0.8446 -0.0157 0.2101 0.115 Uiso 1 1 calc R . .
C105 C 0.9159(8) 0.0652(9) 0.1878(5) 0.079(7) Uani 1 1 d . . .
C106 C 0.9775(7) 0.1281(6) 0.2163(5) 0.067(5) Uani 1 1 d . . .
H10E H 0.9460 0.1458 0.2053 0.081 Uiso 1 1 calc R . .
H10F H 0.9791 0.1323 0.2474 0.081 Uiso 1 1 calc R . .
C107 C 1.0304(9) 0.1782(6) 0.1667(5) 0.059(5) Uani 1 1 d . . .
C108 C 1.0989(7) 0.2341(5) 0.1401(5) 0.067(5) Uani 1 1 d . . .
H10G H 1.0644 0.2515 0.1359 0.081 Uiso 1 1 calc R . .
H10H H 1.1244 0.2513 0.1585 0.081 Uiso 1 1 calc R . .
C109 C 1.0979(7) 0.2276(4) 0.0613(5) 0.042(4) Uani 1 1 d . . .
C110 C 1.1236(7) 0.2277(5) -0.0159(4) 0.055(4) Uani 1 1 d . . .
H11A H 1.0875 0.2434 -0.0182 0.066 Uiso 1 1 calc R . .
H11B H 1.1530 0.2471 -0.0275 0.066 Uiso 1 1 calc R . .
C111 C 1.0705(8) 0.1742(6) -0.0571(5) 0.061(5) Uani 1 1 d . . .
C112 C 1.0423(10) 0.1290(6) -0.1162(5) 0.086(7) Uani 1 1 d . . .
H11C H 1.0561 0.1300 -0.1457 0.103 Uiso 1 1 calc R . .
H11D H 1.0092 0.1484 -0.1143 0.103 Uiso 1 1 calc R . .
C113 C 0.9735(12) 0.0732(7) -0.0906(5) 0.079(7) Uani 1 1 d . . .
C114 C 0.9114(9) 0.0082(7) -0.0888(6) 0.084(6) Uani 1 1 d . . .
H11E H 0.8831 0.0317 -0.0867 0.101 Uiso 1 1 calc R . .
H11F H 0.9056 -0.0068 -0.1162 0.101 Uiso 1 1 calc R . .
C115 C 0.9219(9) -0.0670(7) -0.0534(7) 0.083(6) Uani 1 1 d . . .
H11G H 0.9091 -0.0838 -0.0788 0.099 Uiso 1 1 calc R . .
C116 C 0.8965(8) -0.0860(6) -0.0150(6) 0.076(6) Uani 1 1 d . . .
H11H H 0.8681 -0.1089 -0.0223 0.092 Uiso 1 1 calc R . .
C117 C 0.8747(12) -0.0904(7) 0.1009(7) 0.111(8) Uani 1 1 d . . .
H11I H 0.8475 -0.1152 0.1015 0.133 Uiso 1 1 calc R . .
C118 C 0.8878(10) -0.0720(6) 0.1461(7) 0.094(6) Uani 1 1 d . . .
H11J H 0.8719 -0.0909 0.1690 0.112 Uiso 1 1 calc R . .
C119 C 0.9522(10) 0.0046(7) 0.2216(6) 0.088(6) Uani 1 1 d . . .
H11K H 0.9385 -0.0119 0.2469 0.105 Uiso 1 1 calc R . .
C120 C 0.9907(9) 0.0466(6) 0.2338(6) 0.082(6) Uani 1 1 d . . .
H12A H 0.9875 0.0543 0.2644 0.098 Uiso 1 1 calc R . .
C121 C 1.0851(8) 0.1370(8) 0.2169(5) 0.085(7) Uani 1 1 d . . .
H12B H 1.0842 0.1436 0.2479 0.102 Uiso 1 1 calc R . .
C122 C 1.1238(9) 0.1711(6) 0.1918(5) 0.081(6) Uani 1 1 d . . .
H12C H 1.1415 0.1930 0.2112 0.097 Uiso 1 1 calc R . .
C123 C 1.1842(8) 0.2169(6) 0.0935(5) 0.071(5) Uani 1 1 d . . .
H12D H 1.2083 0.2393 0.1076 0.085 Uiso 1 1 calc R . .
C124 C 1.1943(7) 0.2166(5) 0.0449(5) 0.057(5) Uani 1 1 d . . .
H12E H 1.2173 0.2422 0.0355 0.069 Uiso 1 1 calc R . .
C125 C 1.1688(7) 0.1712(5) -0.0610(5) 0.056(4) Uani 1 1 d . . .
H12F H 1.1906 0.1939 -0.0768 0.067 Uiso 1 1 calc R . .
C126 C 1.1446(8) 0.1346(6) -0.0916(5) 0.061(5) Uani 1 1 d . . .
H12G H 1.1598 0.1371 -0.1210 0.073 Uiso 1 1 calc R . .
C127 C 1.0591(9) 0.0440(7) -0.1166(6) 0.075(6) Uani 1 1 d . . .
H12H H 1.0738 0.0451 -0.1462 0.090 Uiso 1 1 calc R . .
C128 C 1.0147(11) 0.0065(10) -0.1113(9) 0.124(10) Uani 1 1 d . . .
H12I H 1.0032 -0.0053 -0.1396 0.149 Uiso 1 1 calc R . .
C129 C 0.9927(10) -0.0982(8) -0.0119(8) 0.083(6) Uani 1 1 d . . .
C130 C 0.9403(15) -0.1240(10) 0.0461(9) 0.173(16) Uani 1 1 d . . .
H13A H 0.9111 -0.1468 0.0438 0.208 Uiso 1 1 calc R . .
H13B H 0.9762 -0.1396 0.0502 0.208 Uiso 1 1 calc R . .
C131 C 0.9755(11) -0.0952(7) 0.1103(8) 0.086(6) Uani 1 1 d . . .
C132 C 0.9781(13) -0.0667(9) 0.1840(9) 0.145(11) Uani 1 1 d . . .
H13C H 1.0130 -0.0842 0.1842 0.174 Uiso 1 1 calc R . .
H13D H 0.9538 -0.0786 0.2065 0.174 Uiso 1 1 calc R . .
C133 C 1.0520(12) -0.0065(12) 0.2024(7) 0.114(9) Uani 1 1 d . . .
C134 C 1.0955(8) 0.0560(7) 0.2342(6) 0.083(6) Uani 1 1 d . . .
H13E H 1.1270 0.0351 0.2329 0.100 Uiso 1 1 calc R . .
H13F H 1.0918 0.0658 0.2639 0.100 Uiso 1 1 calc R . .
C135 C 1.1605(9) 0.0964(9) 0.1823(5) 0.084(7) Uani 1 1 d . . .
C136 C 1.2135(7) 0.1587(6) 0.1495(6) 0.074(5) Uani 1 1 d . . .
H13G H 1.2436 0.1364 0.1503 0.089 Uiso 1 1 calc R . .
H13H H 1.2272 0.1849 0.1647 0.089 Uiso 1 1 calc R . .
C137 C 1.2286(7) 0.1506(7) 0.0704(6) 0.063(5) Uani 1 1 d . . .
C138 C 1.2462(7) 0.1643(6) -0.0025(6) 0.066(5) Uani 1 1 d . . .
H13I H 1.2763 0.1425 0.0020 0.079 Uiso 1 1 calc R . .
H13J H 1.2635 0.1908 -0.0150 0.079 Uiso 1 1 calc R . .
C139 C 1.2002(6) 0.0987(7) -0.0388(6) 0.062(5) Uani 1 1 d . . .
C140 C 1.1581(8) 0.0487(6) -0.0893(6) 0.078(6) Uani 1 1 d . . .
H14A H 1.1709 0.0494 -0.1191 0.093 Uiso 1 1 calc R . .
H14B H 1.1839 0.0295 -0.0733 0.093 Uiso 1 1 calc R . .
C141 C 1.0985(12) -0.0135(7) -0.0732(7) 0.095(8) Uani 1 1 d . . .
C142 C 1.0249(9) -0.0709(7) -0.0781(9) 0.116(9) Uani 1 1 d . . .
H14C H 1.0576 -0.0885 -0.0689 0.139 Uiso 1 1 calc R . .
H14D H 1.0110 -0.0838 -0.1048 0.139 Uiso 1 1 calc R . .
O201 O 0.5337(5) 0.1613(5) 0.3043(4) 0.114(5) Uani 1 1 d . . .
O202 O 0.6581(5) 0.1209(4) 0.2559(3) 0.082(4) Uani 1 1 d . . .
O203 O 0.7935(6) 0.1679(4) 0.2488(3) 0.099(5) Uani 1 1 d . . .
O204 O 0.8552(5) 0.2788(4) 0.2839(3) 0.063(3) Uani 1 1 d . . .
O205 O 0.8007(4) 0.3608(3) 0.3404(3) 0.055(3) Uani 1 1 d . . .
O206 O 0.6570(8) 0.3446(6) 0.3634(5) 0.097(6) Uani 1 1 d . . .
O207 O 0.5357(8) 0.2607(7) 0.3503(5) 0.143(7) Uani 1 1 d . . .
O208 O 0.4802(5) 0.2606(5) 0.1393(4) 0.090(4) Uani 1 1 d . . .
O209 O 0.6041(5) 0.2063(4) 0.0856(3) 0.063(3) Uani 1 1 d . . .
O210 O 0.7498(4) 0.2425(3) 0.0690(3) 0.055(3) Uani 1 1 d . . .
O211 O 0.7896(5) 0.3431(3) 0.1091(3) 0.063(3) Uani 1 1 d . . .
O212 O 0.6963(7) 0.4246(5) 0.1791(4) 0.123(6) Uani 1 1 d . . .
O213 O 0.5523(8) 0.4529(7) 0.2186(6) 0.161(8) Uani 1 1 d . . .
O214 O 0.4644(8) 0.3702(7) 0.1995(6) 0.148(8) Uani 1 1 d . . .
N201 N 0.4610(8) 0.2012(7) 0.2720(5) 0.098(6) Uani 1 1 d . . .
N202 N 0.5070(8) 0.1521(8) 0.2342(5) 0.095(6) Uani 1 1 d . . .
N203 N 0.5897(7) 0.1182(5) 0.2020(4) 0.087(5) Uani 1 1 d . . .
N204 N 0.6812(7) 0.1168(4) 0.1836(4) 0.069(4) Uani 1 1 d . . .
N205 N 0.7731(6) 0.1471(5) 0.1790(4) 0.066(4) Uani 1 1 d . . .
N206 N 0.8392(6) 0.1990(4) 0.1890(4) 0.057(4) Uani 1 1 d . . .
N207 N 0.8701(5) 0.2723(5) 0.2103(4) 0.053(3) Uani 1 1 d . . .
N208 N 0.8758(5) 0.3373(5) 0.2387(4) 0.063(4) Uani 1 1 d . . .
N209 N 0.8304(7) 0.3974(5) 0.2797(4) 0.069(4) Uani 1 1 d . . .
N210 N 0.7529(7) 0.4214(5) 0.3117(4) 0.067(4) Uani 1 1 d . . .
N211 N 0.6547(8) 0.4167(7) 0.3376(5) 0.085(5) Uani 1 1 d . . .
N212 N 0.5703(10) 0.3822(9) 0.3435(5) 0.124(7) Uani 1 1 d . . .
N213 N 0.5029(11) 0.3285(9) 0.3311(6) 0.108(8) Uani 1 1 d . . .
N214 N 0.4534(10) 0.2639(11) 0.3126(6) 0.126(8) Uani 1 1 d . . .
N215 N 0.4446(7) 0.2416(9) 0.2054(6) 0.095(6) Uani 1 1 d . . .
N216 N 0.4880(7) 0.1909(8) 0.1701(5) 0.092(5) Uani 1 1 d . . .
N217 N 0.5696(7) 0.1553(5) 0.1351(4) 0.075(4) Uani 1 1 d . . .
N218 N 0.6597(7) 0.1493(5) 0.1132(4) 0.058(4) Uani 1 1 d . . .
N219 N 0.7541(5) 0.1786(4) 0.1096(4) 0.048(3) Uani 1 1 d . . .
N220 N 0.8224(6) 0.2286(5) 0.1168(4) 0.059(4) Uani 1 1 d . . .
N221 N 0.8599(5) 0.2998(5) 0.1384(4) 0.057(4) Uani 1 1 d . . .
N222 N 0.8317(6) 0.3615(5) 0.1730(4) 0.063(4) Uani 1 1 d . . .
N223 N 0.7834(7) 0.4148(5) 0.2131(4) 0.077(4) Uani 1 1 d . . .
N224 N 0.7138(8) 0.4524(6) 0.2479(5) 0.094(5) Uani 1 1 d . . .
N225 N 0.6213(12) 0.4582(7) 0.2744(6) 0.121(7) Uani 1 1 d . . .
N226 N 0.5293(10) 0.4301(7) 0.2877(6) 0.110(7) Uani 1 1 d . . .
N227 N 0.4558(9) 0.3728(9) 0.2761(7) 0.123(8) Uani 1 1 d . . .
N228 N 0.4367(8) 0.3089(10) 0.2449(6) 0.120(8) Uani 1 1 d . . .
C201 C 0.5020(10) 0.1696(11) 0.2720(7) 0.117(10) Uani 1 1 d . . .
C202 C 0.5415(10) 0.1140(10) 0.2285(6) 0.124(11) Uani 1 1 d . . .
H20A H 0.5542 0.1042 0.2568 0.148 Uiso 1 1 calc R . .
H20B H 0.5177 0.0904 0.2168 0.148 Uiso 1 1 calc R . .
C203 C 0.6440(9) 0.1189(5) 0.2178(6) 0.065(5) Uani 1 1 d . . .
C204 C 0.7409(8) 0.1081(7) 0.1892(6) 0.083(6) Uani 1 1 d . . .
H20C H 0.7483 0.0993 0.2188 0.099 Uiso 1 1 calc R . .
H20D H 0.7525 0.0837 0.1705 0.099 Uiso 1 1 calc R . .
C205 C 0.8003(9) 0.1711(6) 0.2098(5) 0.070(5) Uani 1 1 d . . .
C206 C 0.8785(8) 0.2248(7) 0.2115(5) 0.086(6) Uani 1 1 d . . .
H20E H 0.9162 0.2184 0.2002 0.104 Uiso 1 1 calc R . .
H20F H 0.8781 0.2154 0.2415 0.104 Uiso 1 1 calc R . .
C207 C 0.8656(6) 0.2924(6) 0.2489(5) 0.055(4) Uani 1 1 d . . .
C208 C 0.8817(7) 0.3720(5) 0.2713(4) 0.058(4) Uani 1 1 d . . .
H20G H 0.8941 0.3582 0.2981 0.069 Uiso 1 1 calc R . .
H20H H 0.9115 0.3925 0.2622 0.069 Uiso 1 1 calc R . .
C209 C 0.7949(8) 0.3905(7) 0.3138(5) 0.057(5) Uani 1 1 d . . .
C210 C 0.7133(9) 0.4267(6) 0.3459(5) 0.082(6) Uani 1 1 d . . .
H21A H 0.7155 0.4574 0.3558 0.098 Uiso 1 1 calc R . .
H21B H 0.7258 0.4080 0.3697 0.098 Uiso 1 1 calc R . .
C211 C 0.6321(11) 0.3745(12) 0.3512(6) 0.099(9) Uani 1 1 d . . .
C212 C 0.5306(10) 0.3539(10) 0.3628(6) 0.136(11) Uani 1 1 d . . .
H21C H 0.5028 0.3715 0.3787 0.163 Uiso 1 1 calc R . .
H21D H 0.5498 0.3343 0.3831 0.163 Uiso 1 1 calc R . .
C213 C 0.5003(12) 0.2868(16) 0.3340(8) 0.120(12) Uani 1 1 d . . .
C214 C 0.4398(10) 0.2187(10) 0.3091(7) 0.113(9) Uani 1 1 d . . .
H21E H 0.4555 0.2026 0.3336 0.135 Uiso 1 1 calc R . .
H21F H 0.3987 0.2150 0.3095 0.135 Uiso 1 1 calc R . .
C215 C 0.4348(10) 0.2036(11) 0.2292(8) 0.119(10) Uani 1 1 d . . .
H21G H 0.3938 0.1975 0.2310 0.142 Uiso 1 1 calc R . .
C216 C 0.4655(8) 0.1660(8) 0.2058(6) 0.096(8) Uani 1 1 d . . .
H21H H 0.4398 0.1419 0.1968 0.116 Uiso 1 1 calc R . .
C217 C 0.5873(8) 0.1152(6) 0.1553(4) 0.074(6) Uani 1 1 d . . .
H21I H 0.5655 0.0892 0.1454 0.088 Uiso 1 1 calc R . .
C218 C 0.6511(8) 0.1127(6) 0.1423(5) 0.067(5) Uani 1 1 d . . .
H21J H 0.6599 0.0841 0.1283 0.081 Uiso 1 1 calc R . .
C219 C 0.7933(6) 0.1554(5) 0.1376(4) 0.048(4) Uani 1 1 d . . .
H21K H 0.8083 0.1282 0.1240 0.057 Uiso 1 1 calc R . .
C220 C 0.8400(7) 0.1908(5) 0.1434(5) 0.062(5) Uani 1 1 d . . .
H22A H 0.8772 0.1794 0.1342 0.075 Uiso 1 1 calc R . .
C221 C 0.8907(8) 0.2990(6) 0.1764(4) 0.072(5) Uani 1 1 d . . .
H22B H 0.9312 0.2930 0.1708 0.086 Uiso 1 1 calc R . .
C222 C 0.8825(7) 0.3446(6) 0.1948(4) 0.065(5) Uani 1 1 d . . .
H22C H 0.9157 0.3636 0.1891 0.078 Uiso 1 1 calc R . .
C223 C 0.8101(9) 0.4326(6) 0.2524(5) 0.074(5) Uani 1 1 d . . .
H22D H 0.8398 0.4547 0.2460 0.089 Uiso 1 1 calc R . .
C224 C 0.7581(10) 0.4534(7) 0.2775(7) 0.095(7) Uani 1 1 d . . .
H22E H 0.7660 0.4836 0.2881 0.114 Uiso 1 1 calc R . .
C225 C 0.6166(11) 0.4522(8) 0.3217(6) 0.095(7) Uani 1 1 d . . .
H22F H 0.6203 0.4802 0.3379 0.114 Uiso 1 1 calc R . .
C226 C 0.5608(11) 0.4308(12) 0.3269(8) 0.135(12) Uani 1 1 d . . .
H22G H 0.5389 0.4474 0.3487 0.163 Uiso 1 1 calc R . .
C227 C 0.4488(13) 0.3396(12) 0.3119(9) 0.142(11) Uani 1 1 d . . .
H22H H 0.4226 0.3513 0.3339 0.170 Uiso 1 1 calc R . .
C228 C 0.4247(8) 0.3004(11) 0.2919(9) 0.112(9) Uani 1 1 d . . .
H22I H 0.3835 0.2989 0.2971 0.134 Uiso 1 1 calc R . .
C229 C 0.4730(8) 0.2346(10) 0.1695(7) 0.087(7) Uani 1 1 d . . .
C230 C 0.5102(8) 0.1693(6) 0.1312(5) 0.068(5) Uani 1 1 d . . .
H23A H 0.4869 0.1433 0.1248 0.082 Uiso 1 1 calc R . .
H23B H 0.5068 0.1898 0.1071 0.082 Uiso 1 1 calc R . .
C231 C 0.6140(9) 0.1744(7) 0.1098(5) 0.063(5) Uani 1 1 d . . .
C232 C 0.7072(7) 0.1555(6) 0.0879(4) 0.061(4) Uani 1 1 d . . .
H23C H 0.6964 0.1724 0.0626 0.073 Uiso 1 1 calc R . .
H23D H 0.7207 0.1265 0.0783 0.073 Uiso 1 1 calc R . .
C233 C 0.7722(7) 0.2193(5) 0.0971(4) 0.047(4) Uani 1 1 d . . .
C234 C 0.8597(7) 0.2655(6) 0.1068(5) 0.064(5) Uani 1 1 d . . .
H23E H 0.8983 0.2542 0.1035 0.077 Uiso 1 1 calc R . .
H23F H 0.8482 0.2782 0.0793 0.077 Uiso 1 1 calc R . .
C235 C 0.8248(8) 0.3336(6) 0.1367(4) 0.055(5) Uani 1 1 d . . .
C236 C 0.8134(7) 0.4055(6) 0.1749(4) 0.053(4) Uani 1 1 d . . .
H23G H 0.7889 0.4116 0.1503 0.063 Uiso 1 1 calc R . .
H23H H 0.8462 0.4251 0.1730 0.063 Uiso 1 1 calc R . .
C237 C 0.7296(11) 0.4315(8) 0.2110(6) 0.098(7) Uani 1 1 d . . .
C238 C 0.6635(11) 0.4791(8) 0.2532(8) 0.117(9) Uani 1 1 d . . .
H23I H 0.6735 0.5061 0.2689 0.140 Uiso 1 1 calc R . .
H23J H 0.6496 0.4880 0.2250 0.140 Uiso 1 1 calc R . .
C239 C 0.5653(14) 0.4465(9) 0.2595(9) 0.118(10) Uani 1 1 d . . .
C240 C 0.4689(11) 0.4180(10) 0.2806(8) 0.138(11) Uani 1 1 d . . .
H24A H 0.4468 0.4297 0.3045 0.166 Uiso 1 1 calc R . .
H24B H 0.4560 0.4333 0.2547 0.166 Uiso 1 1 calc R . .
C241 C 0.4526(10) 0.3536(12) 0.2361(10) 0.110(9) Uani 1 1 d . . .
C242 C 0.4143(8) 0.2806(9) 0.2107(7) 0.114(9) Uani 1 1 d . . .
H24C H 0.3749 0.2732 0.2172 0.137 Uiso 1 1 calc R . .
H24D H 0.4147 0.2971 0.1837 0.137 Uiso 1 1 calc R . .
O301 O 0.5710(5) 0.4923(4) 0.4167(3) 0.074(3) Uani 1 1 d . . .
O302 O 0.5354(9) 0.3846(6) 0.4539(5) 0.130(7) Uani 1 1 d . . .
O303 O 0.4172(8) 0.3247(5) 0.5016(5) 0.133(7) Uani 1 1 d . . .
O304 O 0.2787(6) 0.3589(4) 0.5438(4) 0.100(5) Uani 1 1 d . . .
O305 O 0.2493(6) 0.4666(4) 0.5386(4) 0.091(4) Uani 1 1 d . . .
O306 O 0.3342(6) 0.5596(5) 0.4941(4) 0.106(5) Uani 1 1 d . . .
O307 O 0.4729(6) 0.5788(5) 0.4372(4) 0.097(4) Uani 1 1 d . . .
O308 O 0.6621(6) 0.5060(4) 0.5989(4) 0.092(4) Uani 1 1 d . . .
O309 O 0.6630(6) 0.3891(5) 0.6198(4) 0.109(5) Uani 1 1 d . . .
O310 O 0.5377(6) 0.3411(7) 0.6711(5) 0.149(8) Uani 1 1 d . . .
O311 O 0.4081(8) 0.3989(6) 0.7072(5) 0.127(6) Uani 1 1 d . . .
O312 O 0.3546(7) 0.5186(4) 0.7056(4) 0.099(5) Uani 1 1 d . . .
O313 O 0.4179(5) 0.6144(4) 0.6680(4) 0.074(3) Uani 1 1 d . . .
O314 O 0.5557(5) 0.6000(4) 0.6201(3) 0.071(3) Uani 1 1 d . . .
N301 N 0.6179(6) 0.5377(5) 0.4616(4) 0.068(4) Uani 1 1 d . . .
N302 N 0.6427(6) 0.4697(5) 0.4625(4) 0.061(4) Uani 1 1 d . . .
N303 N 0.6253(9) 0.3926(6) 0.4783(5) 0.097(6) Uani 1 1 d . . .
N304 N 0.5746(12) 0.3371(6) 0.5045(5) 0.121(8) Uani 1 1 d . . .
N305 N 0.4942(10) 0.3033(6) 0.5397(5) 0.087(5) Uani 1 1 d . . .
N306 N 0.4139(8) 0.2970(6) 0.5727(5) 0.088(5) Uani 1 1 d . . .
N307 N 0.3257(8) 0.3247(5) 0.5996(5) 0.091(5) Uani 1 1 d . . .
N308 N 0.2654(6) 0.3786(5) 0.6152(5) 0.069(4) Uani 1 1 d . . .
N309 N 0.2318(6) 0.4551(5) 0.6093(5) 0.071(4) Uani 1 1 d . . .
N310 N 0.2506(6) 0.5252(5) 0.5889(5) 0.071(4) Uani 1 1 d . . .
N311 N 0.3029(7) 0.5853(5) 0.5586(5) 0.070(4) Uani 1 1 d . . .
N312 N 0.3778(7) 0.6188(5) 0.5293(4) 0.067(4) Uani 1 1 d . . .
N313 N 0.4723(9) 0.6241(6) 0.4985(4) 0.088(5) Uani 1 1 d . . .
N314 N 0.5531(7) 0.6001(5) 0.4741(4) 0.068(4) Uani 1 1 d . . .
N315 N 0.6488(6) 0.5435(6) 0.5363(5) 0.071(4) Uani 1 1 d . . .
N316 N 0.6851(7) 0.4746(6) 0.5328(5) 0.080(4) Uani 1 1 d . . .
N317 N 0.6795(7) 0.3959(6) 0.5470(5) 0.086(5) Uani 1 1 d . . .
N318 N 0.6266(7) 0.3389(6) 0.5710(5) 0.085(5) Uani 1 1 d . . .
N319 N 0.5432(8) 0.3055(6) 0.6046(6) 0.090(5) Uani 1 1 d . . .
N320 N 0.4631(7) 0.3086(6) 0.6381(5) 0.079(5) Uani 1 1 d . . .
N321 N 0.3791(7) 0.3419(7) 0.6652(5) 0.084(5) Uani 1 1 d . . .
N322 N 0.3202(8) 0.3970(5) 0.6771(5) 0.076(5) Uani 1 1 d . . .
N323 N 0.2893(7) 0.4705(6) 0.6737(5) 0.086(5) Uani 1 1 d . . .
N324 N 0.2868(7) 0.5466(5) 0.6576(4) 0.070(4) Uani 1 1 d . . .
N325 N 0.3345(7) 0.6068(5) 0.6295(5) 0.070(4) Uani 1 1 d . . .
N326 N 0.4112(6) 0.6393(4) 0.5986(4) 0.065(4) Uani 1 1 d . . .
N327 N 0.5021(6) 0.6392(4) 0.5694(4) 0.059(4) Uani 1 1 d . . .
N328 N 0.5827(7) 0.6029(5) 0.5490(4) 0.070(4) Uani 1 1 d . . .
C301 C 0.6066(7) 0.4987(7) 0.4441(5) 0.061(5) Uani 1 1 d . . .
C302 C 0.6461(10) 0.4250(7) 0.4469(5) 0.095(7) Uani 1 1 d . . .
H30A H 0.6856 0.4182 0.4399 0.115 Uiso 1 1 calc R . .
H30B H 0.6239 0.4225 0.4206 0.115 Uiso 1 1 calc R . .
C303 C 0.5719(12) 0.3739(8) 0.4775(8) 0.097(7) Uani 1 1 d . . .
C304 C 0.5325(13) 0.3014(9) 0.5021(8) 0.153(12) Uani 1 1 d . . .
H30C H 0.5517 0.2727 0.5014 0.183 Uiso 1 1 calc R . .
H30D H 0.5104 0.3045 0.4758 0.183 Uiso 1 1 calc R . .
C305 C 0.4390(15) 0.3099(7) 0.5353(8) 0.108(9) Uani 1 1 d . . .
C306 C 0.3550(12) 0.2916(7) 0.5753(7) 0.104(8) Uani 1 1 d . . .
H30E H 0.3470 0.2626 0.5880 0.125 Uiso 1 1 calc R . .
H30F H 0.3395 0.2914 0.5462 0.125 Uiso 1 1 calc R . .
C307 C 0.2877(8) 0.3536(6) 0.5806(6) 0.067(5) Uani 1 1 d . . .
C308 C 0.2172(8) 0.4084(6) 0.6082(6) 0.071(5) Uani 1 1 d . . .
H30G H 0.2002 0.4016 0.5804 0.085 Uiso 1 1 calc R . .
H30H H 0.1886 0.4026 0.6302 0.085 Uiso 1 1 calc R . .
C309 C 0.2468(9) 0.4807(8) 0.5746(7) 0.084(7) Uani 1 1 d . . .
C310 C 0.2520(9) 0.5610(6) 0.5618(6) 0.086(6) Uani 1 1 d . . .
H31A H 0.2222 0.5815 0.5708 0.103 Uiso 1 1 calc R . .
H31B H 0.2421 0.5506 0.5331 0.103 Uiso 1 1 calc R . .
C311 C 0.3374(11) 0.5846(8) 0.5243(7) 0.096(8) Uani 1 1 d . . .
C312 C 0.4100(11) 0.6332(8) 0.4949(6) 0.111(9) Uani 1 1 d . . .
H31C H 0.4045 0.6651 0.4917 0.134 Uiso 1 1 calc R . .
H31D H 0.3958 0.6189 0.4689 0.134 Uiso 1 1 calc R . .
C313 C 0.4967(10) 0.5980(7) 0.4656(6) 0.085(6) Uani 1 1 d . . .
C314 C 0.5935(9) 0.5814(6) 0.4476(5) 0.077(6) Uani 1 1 d . . .
H31E H 0.6247 0.6025 0.4446 0.093 Uiso 1 1 calc R . .
H31F H 0.5766 0.5774 0.4193 0.093 Uiso 1 1 calc R . .
C315 C 0.6634(7) 0.5373(7) 0.4925(5) 0.068(5) Uani 1 1 d . . .
H31F' H 0.6937 0.5581 0.4839 0.082 Uiso 1 1 calc R . .
C316 C 0.6837(8) 0.4885(6) 0.4877(5) 0.070(5) Uani 1 1 d . . .
H31G H 0.7215 0.4867 0.4742 0.084 Uiso 1 1 calc R . .
C317 C 0.6636(10) 0.3689(7) 0.5072(7) 0.095(7) Uani 1 1 d . . .
H31H H 0.6973 0.3574 0.4921 0.114 Uiso 1 1 calc R . .
C318 C 0.6262(11) 0.3312(7) 0.5252(7) 0.091(7) Uani 1 1 d . . .
H31I H 0.6426 0.3020 0.5183 0.109 Uiso 1 1 calc R . .
C319 C 0.5099(10) 0.2808(7) 0.5776(7) 0.092(7) Uani 1 1 d . . .
H31J H 0.5240 0.2504 0.5727 0.111 Uiso 1 1 calc R . .
C320 C 0.4528(8) 0.2828(8) 0.6030(8) 0.099(8) Uani 1 1 d . . .
H32A H 0.4426 0.2526 0.6125 0.118 Uiso 1 1 calc R . .
C321 C 0.3270(10) 0.3286(6) 0.6466(6) 0.088(7) Uani 1 1 d . . .
H32B H 0.3136 0.3008 0.6600 0.105 Uiso 1 1 calc R . .
C322 C 0.2852(10) 0.3667(6) 0.6562(5) 0.087(7) Uani 1 1 d . . .
H32C H 0.2539 0.3568 0.6749 0.105 Uiso 1 1 calc R . .
C323 C 0.2354(8) 0.4781(7) 0.6501(6) 0.081(6) Uani 1 1 d . . .
H32D H 0.2016 0.4733 0.6683 0.097 Uiso 1 1 calc R . .
C324 C 0.2404(8) 0.5280(6) 0.6331(6) 0.074(5) Uani 1 1 d . . .
H32E H 0.2049 0.5445 0.6388 0.088 Uiso 1 1 calc R . .
C325 C 0.3126(8) 0.6211(6) 0.5897(5) 0.066(5) Uani 1 1 d . . .
H32F H 0.2804 0.6419 0.5923 0.079 Uiso 1 1 calc R . .
C326 C 0.3676(7) 0.6427(6) 0.5678(5) 0.069(5) Uani 1 1 d . . .
H32G H 0.3603 0.6742 0.5611 0.082 Uiso 1 1 calc R . .
C327 C 0.5077(8) 0.6488(6) 0.5245(5) 0.065(5) Uani 1 1 d . . .
H32H H 0.5060 0.6808 0.5183 0.078 Uiso 1 1 calc R . .
C328 C 0.5645(9) 0.6275(6) 0.5108(5) 0.076(6) Uani 1 1 d . . .
H32I H 0.5924 0.6507 0.5035 0.091 Uiso 1 1 calc R . .
C329 C 0.6645(7) 0.5070(8) 0.5595(7) 0.078(6) Uani 1 1 d . . .
C330 C 0.7133(9) 0.4350(8) 0.5483(7) 0.102(7) Uani 1 1 d . . .
H33A H 0.7474 0.4301 0.5312 0.122 Uiso 1 1 calc R . .
H33B H 0.7252 0.4401 0.5779 0.122 Uiso 1 1 calc R . .
C331 C 0.6555(8) 0.3761(8) 0.5840(6) 0.075(6) Uani 1 1 d . . .
C332 C 0.6066(10) 0.3059(7) 0.6000(7) 0.101(7) Uani 1 1 d . . .
H33C H 0.6237 0.3110 0.6281 0.121 Uiso 1 1 calc R . .
H33D H 0.6191 0.2768 0.5899 0.121 Uiso 1 1 calc R . .
C333 C 0.5171(10) 0.3188(8) 0.6396(7) 0.100(8) Uani 1 1 d . . .
C334 C 0.4239(9) 0.3128(8) 0.6721(6) 0.094(7) Uani 1 1 d . . .
H33E H 0.4082 0.2834 0.6782 0.113 Uiso 1 1 calc R . .
H33F H 0.4444 0.3224 0.6977 0.113 Uiso 1 1 calc R . .
C335 C 0.3718(11) 0.3821(9) 0.6866(7) 0.089(7) Uani 1 1 d . . .
C336 C 0.2972(9) 0.4337(6) 0.7006(5) 0.081(6) Uani 1 1 d . . .
H33G H 0.2608 0.4252 0.7132 0.097 Uiso 1 1 calc R . .
H33H H 0.3229 0.4417 0.7239 0.097 Uiso 1 1 calc R . .
C337 C 0.3122(11) 0.5131(9) 0.6806(6) 0.098(8) Uani 1 1 d . . .
C338 C 0.3016(10) 0.5935(6) 0.6620(5) 0.084(6) Uani 1 1 d . . .
H33I H 0.2669 0.6113 0.6625 0.101 Uiso 1 1 calc R . .
H33J H 0.3215 0.5982 0.6891 0.101 Uiso 1 1 calc R . .
C339 C 0.3897(11) 0.6177(6) 0.6348(5) 0.074(6) Uani 1 1 d . . .
C340 C 0.4652(8) 0.6583(5) 0.5971(5) 0.060(5) Uani 1 1 d . . .
H34A H 0.4612 0.6896 0.5893 0.072 Uiso 1 1 calc R . .
H34B H 0.4816 0.6572 0.6259 0.072 Uiso 1 1 calc R . .
C341 C 0.5483(9) 0.6126(6) 0.5820(6) 0.072(6) Uani 1 1 d . . .
C342 C 0.6396(8) 0.5851(7) 0.5564(6) 0.072(5) Uani 1 1 d . . .
H34C H 0.6675 0.6063 0.5458 0.087 Uiso 1 1 calc R . .
H34D H 0.6455 0.5818 0.5873 0.087 Uiso 1 1 calc R . .
O1W O 0.9696(7) 0.2662(4) -0.0344(5) 0.124(5) Uani 1 1 d U . .
O2W O 0.8808(6) 0.3104(4) -0.0671(5) 0.103(4) Uani 1 1 d U . .
O3W O 0.4006(6) 0.3149(4) 0.0967(5) 0.115(5) Uani 1 1 d U . .
O4W O 0.9002(7) 0.3191(5) 0.3751(5) 0.133(6) Uani 1 1 d U . .
O5W O 0.7133(6) 0.0396(5) 0.0849(4) 0.103(4) Uani 1 1 d U . .
O6W O 0.5357(6) 0.1664(5) 0.4030(5) 0.129(6) Uani 1 1 d U . .
O7W O 0.4218(10) 0.3005(7) 0.4126(5) 0.192(9) Uani 1 1 d U . .
O8W O 0.6000(8) 0.0801(6) 0.3327(5) 0.147(7) Uani 1 1 d U . .
O9W O 0.6071(9) 0.2886(6) 0.4244(5) 0.164(7) Uani 1 1 d U . .
O10W O 0.5123(8) 0.5712(7) 0.7144(4) 0.163(8) Uani 1 1 d U . .
O11W O 1.2719(7) 0.0320(5) 0.1045(6) 0.150(8) Uani 1 1 d U . .
O12W O 1.1708(7) -0.0254(5) 0.1225(6) 0.149(7) Uani 1 1 d U . .
O13W O 1.0663(9) -0.2041(5) 0.0216(6) 0.160(7) Uani 1 1 d U . .
O14W O 0.3419(10) 0.3789(9) 0.1487(11) 0.274(16) Uani 1 1 d U . .
O15W O 0.9960(8) 0.3040(7) 0.3295(7) 0.182(8) Uani 1 1 d U . .
O16W O 0.3120(9) 0.3658(10) 0.2322(8) 0.258(14) Uani 1 1 d U . .
O17W O 0.3567(7) 0.1691(7) 0.1474(6) 0.183(8) Uani 1 1 d U . .
O18W O 0.5821(9) 0.5140(7) 0.6752(5) 0.188(10) Uani 1 1 d U . .
O19W O 0.2387(9) 0.4172(7) 0.2704(5) 0.175(8) Uani 1 1 d U . .
O20W O 0.8134(11) 0.3076(7) 0.4944(10) 0.249(12) Uani 1 1 d U . .
O21W O 0.3679(11) 0.6144(9) 0.7567(6) 0.234(12) Uani 1 1 d U . .
O22W O 0.7693(9) 0.3599(9) 0.4322(6) 0.205(10) Uani 1 1 d U . .
O23W O 0.7202(15) 0.4797(7) 0.6805(11) 0.320(14) Uani 1 1 d U . .
O24W O 0.5250(15) 0.5362(7) 0.3414(11) 0.320(14) Uani 1 1 d U . .
O25W O 0.3528(12) 0.7009(9) 0.7246(9) 0.249(12) Uani 1 1 d U . .
O26W O 1.1034(12) 0.3030(8) 0.3632(8) 0.229(11) Uani 1 1 d U . .
O27W O 0.5592(16) 0.4241(8) 0.6628(7) 0.308(19) Uani 1 1 d U . .
O28W O 0.6250(14) 0.0068(12) 0.2772(7) 0.291(16) Uani 1 1 d U . .
O29W O 0.6232(15) 0.2726(9) 0.7164(10) 0.287(15) Uani 1 1 d U . .
O30W O 0.4020(15) 0.4440(9) 0.1785(7) 0.260(14) Uani 1 1 d U . .
O31W O 1.1715(10) -0.0009(10) 0.0240(12) 0.297(17) Uani 1 1 d U . .
O32W O 1.0125(9) 0.3165(10) 0.2194(10) 0.301(18) Uani 1 1 d U . .
O33W O 1.1716(15) -0.0355(8) -0.1497(9) 0.286(16) Uani 1 1 d U . .
O34W O 1.0145(13) 0.2363(10) 0.2547(9) 0.284(15) Uani 1 1 d U . .
O35W O 0.2826(12) 0.5048(9) 0.2672(10) 0.263(14) Uani 1 1 d U . .
O36W O 1.1268(13) -0.0786(15) 0.0579(13) 0.39(2) Uani 1 1 d U . .
O37W O 0.2517(16) 0.3438(10) 0.4582(7) 0.294(16) Uani 1 1 d U . .
O38W O 1.1513(17) 0.2836(8) 0.4497(8) 0.34(2) Uani 1 1 d U . .
O39W O 1.3379(12) 0.0667(10) 0.1645(6) 0.255(14) Uani 1 1 d U . .
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'
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
O1A Pt1 O2A 84.8(4) . . ?
O1A Pt1 N1A 96.6(5) . . ?
O2A Pt1 N1A 176.0(5) . . ?
O1A Pt1 N2A 178.8(5) . . ?
O2A Pt1 N2A 95.9(4) . . ?
N1A Pt1 N2A 82.6(5) . . ?
C7A O1A Pt1 111.0(11) . . ?
C8A O2A Pt1 111.4(10) . . ?
C1A N1A Pt1 112.5(9) . . ?
C6A N2A Pt1 108.9(9) . . ?
C2A C1A N1A 117.1(13) . . ?
C2A C1A C6A 111.8(14) . . ?
N1A C1A C6A 104.5(12) . . ?
C1A C2A C3A 111.7(15) . . ?
C4A C3A C2A 111.2(15) . . ?
C3A C4A C5A 113.0(16) . . ?
C4A C5A C6A 110.3(15) . . ?
N2A C6A C5A 112.6(13) . . ?
N2A C6A C1A 106.8(12) . . ?
C5A C6A C1A 108.7(13) . . ?
O3A C7A O1A 126.5(18) . . ?
O3A C7A C8A 116.3(17) . . ?
O1A C7A C8A 117.2(16) . . ?
O4A C8A O2A 123.0(18) . . ?
O4A C8A C7A 122.7(16) . . ?
O2A C8A C7A 114.3(15) . . ?
N1B Pt2 O2B 177.4(6) . . ?
N1B Pt2 O1B 97.3(6) . . ?
O2B Pt2 O1B 83.3(5) . . ?
N1B Pt2 N2B 83.0(6) . . ?
O2B Pt2 N2B 96.3(5) . . ?
O1B Pt2 N2B 176.7(5) . . ?
C7B O1B Pt2 108.2(11) . . ?
C8B O2B Pt2 113.7(12) . . ?
C1B N1B Pt2 109.8(10) . . ?
C6B N2B Pt2 110.0(9) . . ?
C6B C1B C2B 111.4(16) . . ?
C6B C1B N1B 106.7(14) . . ?
C2B C1B N1B 114.7(15) . . ?
C1B C2B C3B 113.7(16) . . ?
C2B C3B C4B 108.8(16) . . ?
C3B C4B C5B 110.4(17) . . ?
C6B C5B C4B 109.7(16) . . ?
C1B C6B C5B 113.1(14) . . ?
C1B C6B N2B 106.8(13) . . ?
C5B C6B N2B 110.4(15) . . ?
O3B C7B O1B 122(2) . . ?
O3B C7B C8B 119(2) . . ?
O1B C7B C8B 118.2(16) . . ?
O4B C8B O2B 129(2) . . ?
O4B C8B C7B 118.4(19) . . ?
O2B C8B C7B 112.7(17) . . ?
N1C Pt3 N2C 78.5(10) . . ?
N1C Pt3 O2C 178.2(9) . . ?
N2C Pt3 O2C 103.3(10) . . ?
N1C Pt3 O1C 98.6(10) . . ?
N2C Pt3 O1C 172.8(8) . . ?
O2C Pt3 O1C 79.7(9) . . ?
C7C O1C Pt3 109(2) . . ?
C8C O2C Pt3 121(2) . . ?
C1C N1C Pt3 111.7(16) . . ?
C6C N2C Pt3 115.5(17) . . ?
C6C C1C N1C 110(3) . . ?
C6C C1C C2C 114(3) . . ?
N1C C1C C2C 111(2) . . ?
C3C C2C C1C 105(3) . . ?
C4C C3C C2C 112(3) . . ?
C3C C4C C5C 118(3) . . ?
C6C C5C C4C 112(2) . . ?
C1C C6C C5C 123(3) . . ?
C1C C6C N2C 108(2) . . ?
C5C C6C N2C 120(2) . . ?
O3C C7C C8C 132(4) . . ?
O3C C7C O1C 115(3) . . ?
C8C C7C O1C 113(3) . . ?
O2C C8C O4C 133(4) . . ?
O2C C8C C7C 116(3) . . ?
O4C C8C C7C 111(3) . . ?
N1C' Pt3' N2C' 82.0(10) . . ?
N1C' Pt3' O2C' 171.9(12) . . ?
N2C' Pt3' O2C' 105.5(13) . . ?
N1C' Pt3' O1C' 96.0(11) . . ?
N2C' Pt3' O1C' 169.3(9) . . ?
O2C' Pt3' O1C' 77.2(13) . . ?
C7C' O1C' Pt3' 108(2) . . ?
C8C' O2C' Pt3' 118(3) . . ?
C1C' N1C' Pt3' 110.4(16) . . ?
C6C' N2C' Pt3' 114.6(19) . . ?
C6C' C1C' N1C' 118(3) . . ?
C6C' C1C' C2C' 115(3) . . ?
N1C' C1C' C2C' 112(2) . . ?
C1C' C2C' C3C' 105(2) . . ?
C4C' C3C' C2C' 116(3) . . ?
C3C' C4C' C5C' 119(3) . . ?
C6C' C5C' C4C' 109(3) . . ?
C1C' C6C' N2C' 106(3) . . ?
C1C' C6C' C5C' 116(4) . . ?
N2C' C6C' C5C' 117(3) . . ?
O3C' C7C' C8C' 138(5) . . ?
O3C' C7C' O1C' 111(4) . . ?
C8C' C7C' O1C' 110(3) . . ?
O2C' C8C' O4C' 129(4) . . ?
O2C' C8C' C7C' 116(4) . . ?
O4C' C8C' C7C' 115(4) . . ?
C114 N101 C101 123.2(17) . . ?
C114 N101 C115 128(2) . . ?
C101 N101 C115 109.1(19) . . ?
C101 N102 C102 122.4(17) . . ?
C101 N102 C116 111.5(17) . . ?
C102 N102 C116 122.5(17) . . ?
C102 N103 C103 127.0(18) . . ?
C102 N103 C117 119(2) . . ?
C103 N103 C117 113.0(18) . . ?
C103 N104 C104 122(2) . . ?
C103 N104 C118 107(2) . . ?
C104 N104 C118 128.9(17) . . ?
C105 N105 C104 120.5(17) . . ?
C105 N105 C119 114.8(18) . . ?
C104 N105 C119 124.6(18) . . ?
C105 N106 C120 110.6(18) . . ?
C105 N106 C106 122.3(16) . . ?
C120 N106 C106 120.1(17) . . ?
C107 N107 C106 121.6(15) . . ?
C107 N107 C121 111.9(15) . . ?
C106 N107 C121 123.5(13) . . ?
C107 N108 C122 113.3(15) . . ?
C107 N108 C108 121.9(14) . . ?
C122 N108 C108 121.0(15) . . ?
C109 N109 C108 124.4(14) . . ?
C109 N109 C123 110.5(13) . . ?
C108 N109 C123 125.2(13) . . ?
C109 N110 C110 123.5(12) . . ?
C109 N110 C124 113.1(13) . . ?
C110 N110 C124 120.6(12) . . ?
C111 N111 C125 114.6(14) . . ?
C111 N111 C110 121.2(15) . . ?
C125 N111 C110 122.0(14) . . ?
C112 N112 C111 120.7(17) . . ?
C112 N112 C126 126.5(17) . . ?
C111 N112 C126 112.9(14) . . ?
C113 N113 C112 124.1(19) . . ?
C113 N113 C127 111.4(17) . . ?
C112 N113 C127 124.3(17) . . ?
C113 N114 C114 123(2) . . ?
C113 N114 C128 109(2) . . ?
C114 N114 C128 121.3(18) . . ?
C129 N115 C142 118(2) . . ?
C129 N115 C115 114(2) . . ?
C142 N115 C115 125(2) . . ?
C129 N116 C130 120(2) . . ?
C129 N116 C116 117(2) . . ?
C130 N116 C116 123(2) . . ?
C130 N117 C131 119(2) . . ?
C130 N117 C117 128(2) . . ?
C131 N117 C117 113(2) . . ?
C131 N118 C132 124(2) . . ?
C131 N118 C118 119(2) . . ?
C132 N118 C118 114(2) . . ?
C133 N119 C119 114(2) . . ?
C133 N119 C132 122(2) . . ?
C119 N119 C132 117.6(19) . . ?
C134 N120 C133 118(2) . . ?
C134 N120 C120 126.6(19) . . ?
C133 N120 C120 115(2) . . ?
C134 N121 C121 122.2(16) . . ?
C134 N121 C135 123.6(17) . . ?
C121 N121 C135 110.7(17) . . ?
C136 N122 C135 122.8(17) . . ?
C136 N122 C122 122.8(18) . . ?
C135 N122 C122 113.2(16) . . ?
C137 N123 C136 124.9(15) . . ?
C137 N123 C123 109.0(14) . . ?
C136 N123 C123 121.0(15) . . ?
C137 N124 C138 122.0(16) . . ?
C137 N124 C124 114.9(15) . . ?
C138 N124 C124 122.9(13) . . ?
C125 N125 C139 115.8(14) . . ?
C125 N125 C138 125.1(13) . . ?
C139 N125 C138 119.0(14) . . ?
C139 N126 C126 113.0(15) . . ?
C139 N126 C140 113.6(15) . . ?
C126 N126 C140 128.6(15) . . ?
C141 N127 C127 115.8(17) . . ?
C141 N127 C140 114.9(18) . . ?
C127 N127 C140 121.6(17) . . ?
C142 N128 C141 120(2) . . ?
C142 N128 C128 128(2) . . ?
C141 N128 C128 112(2) . . ?
O101 C101 N102 127(2) . . ?
O101 C101 N101 124(2) . . ?
N102 C101 N101 108.9(19) . . ?
N103 C102 N102 115.1(17) . . ?
O102 C103 N104 125(3) . . ?
O102 C103 N103 123(2) . . ?
N104 C103 N103 112(2) . . ?
N105 C104 N104 109.6(17) . . ?
O103 C105 N105 131(2) . . ?
O103 C105 N106 119(2) . . ?
N105 C105 N106 109.4(16) . . ?
N107 C106 N106 111.9(14) . . ?
O104 C107 N108 125.9(17) . . ?
O104 C107 N107 125.9(18) . . ?
N108 C107 N107 108.1(16) . . ?
N109 C108 N108 111.6(13) . . ?
O105 C109 N110 126.5(15) . . ?
O105 C109 N109 124.5(14) . . ?
N110 C109 N109 109.0(14) . . ?
N111 C110 N110 114.6(12) . . ?
O106 C111 N111 130.2(19) . . ?
O106 C111 N112 123.4(18) . . ?
N111 C111 N112 106.4(16) . . ?
N112 C112 N113 114.0(14) . . ?
O107 C113 N113 127(2) . . ?
O107 C113 N114 121(2) . . ?
N113 C113 N114 112(2) . . ?
N101 C114 N114 116.3(18) . . ?
N115 C115 N101 119.5(17) . . ?
N115 C115 C116 102.3(18) . . ?
N101 C115 C116 106.6(18) . . ?
N116 C116 C115 102.2(18) . . ?
N116 C116 N102 116.6(15) . . ?
C115 C116 N102 103.0(15) . . ?
N117 C117 N103 113.7(18) . . ?
N117 C117 C118 106(2) . . ?
N103 C117 C118 98.7(18) . . ?
N118 C118 N104 111.7(17) . . ?
N118 C118 C117 98.5(18) . . ?
N104 C118 C117 108.9(17) . . ?
N105 C119 N119 114.5(16) . . ?
N105 C119 C120 102.3(16) . . ?
N119 C119 C120 99.3(17) . . ?
N120 C120 N106 113.9(16) . . ?
N120 C120 C119 105.5(17) . . ?
N106 C120 C119 101.4(17) . . ?
N107 C121 N121 113.1(16) . . ?
N107 C121 C122 102.9(15) . . ?
N121 C121 C122 106.3(15) . . ?
N108 C122 N122 113.3(13) . . ?
N108 C122 C121 103.3(16) . . ?
N122 C122 C121 103.0(15) . . ?
N109 C123 N123 116.2(14) . . ?
N109 C123 C124 106.4(14) . . ?
N123 C123 C124 101.3(14) . . ?
N124 C124 N110 116.1(11) . . ?
N124 C124 C123 104.1(13) . . ?
N110 C124 C123 100.2(13) . . ?
N111 C125 N125 114.9(13) . . ?
N111 C125 C126 104.2(13) . . ?
N125 C125 C126 101.4(13) . . ?
N126 C126 N112 114.2(13) . . ?
N126 C126 C125 104.5(13) . . ?
N112 C126 C125 100.4(13) . . ?
N127 C127 N113 118.7(15) . . ?
N127 C127 C128 101.7(19) . . ?
N113 C127 C128 101.9(17) . . ?
N128 C128 N114 115(2) . . ?
N128 C128 C127 105(2) . . ?
N114 C128 C127 104.4(19) . . ?
O108 C129 N116 127(2) . . ?
O108 C129 N115 128(3) . . ?
N116 C129 N115 105(2) . . ?
N117 C130 N116 126(3) . . ?
O109 C131 N118 129(3) . . ?
O109 C131 N117 127(3) . . ?
N118 C131 N117 104(2) . . ?
N118 C132 N119 118.7(19) . . ?
O110 C133 N120 133(3) . . ?
O110 C133 N119 123(3) . . ?
N120 C133 N119 103(2) . . ?
N120 C134 N121 114.4(15) . . ?
O111 C135 N122 131(2) . . ?
O111 C135 N121 123(2) . . ?
N122 C135 N121 106.4(19) . . ?
N122 C136 N123 113.9(14) . . ?
O112 C137 N124 130(2) . . ?
O112 C137 N123 119.7(17) . . ?
N124 C137 N123 109.8(18) . . ?
N124 C138 N125 113.4(12) . . ?
O113 C139 N126 128.2(18) . . ?
O113 C139 N125 128.2(16) . . ?
N126 C139 N125 103.6(16) . . ?
N127 C140 N126 111.1(14) . . ?
O114 C141 N127 127(2) . . ?
O114 C141 N128 128(2) . . ?
N127 C141 N128 104(2) . . ?
N128 C142 N115 115.8(18) . . ?
C201 N201 C214 122(2) . . ?
C201 N201 C215 109.4(18) . . ?
C214 N201 C215 127(2) . . ?
C201 N202 C216 113(2) . . ?
C201 N202 C202 120(2) . . ?
C216 N202 C202 124.8(19) . . ?
C203 N203 C202 122.8(15) . . ?
C203 N203 C217 113.3(16) . . ?
C202 N203 C217 123.2(16) . . ?
C203 N204 C204 122.3(16) . . ?
C203 N204 C218 111.9(15) . . ?
C204 N204 C218 124.0(14) . . ?
C205 N205 C219 113.2(15) . . ?
C205 N205 C204 121.9(15) . . ?
C219 N205 C204 122.1(15) . . ?
C206 N206 C205 122.3(14) . . ?
C206 N206 C220 125.5(15) . . ?
C205 N206 C220 111.2(14) . . ?
C207 N207 C221 116.1(14) . . ?
C207 N207 C206 115.4(13) . . ?
C221 N207 C206 122.4(13) . . ?
C222 N208 C207 113.1(13) . . ?
C222 N208 C208 123.9(15) . . ?
C207 N208 C208 122.9(13) . . ?
C209 N209 C223 111.5(16) . . ?
C209 N209 C208 124.7(16) . . ?
C223 N209 C208 123.8(14) . . ?
C209 N210 C210 121.0(14) . . ?
C209 N210 C224 115.6(15) . . ?
C210 N210 C224 122.3(16) . . ?
C210 N211 C211 119.1(19) . . ?
C210 N211 C225 119(2) . . ?
C211 N211 C225 121(2) . . ?
C212 N212 C211 119(2) . . ?
C212 N212 C226 128(2) . . ?
C211 N212 C226 110(2) . . ?
C213 N213 C212 121(3) . . ?
C213 N213 C227 103(3) . . ?
C212 N213 C227 125(3) . . ?
C214 N214 C228 127(2) . . ?
C214 N214 C213 132(3) . . ?
C228 N214 C213 101(3) . . ?
C229 N215 C242 120(3) . . ?
C229 N215 C215 114(2) . . ?
C242 N215 C215 123(2) . . ?
C229 N216 C216 115(2) . . ?
C229 N216 C230 120.5(18) . . ?
C216 N216 C230 122(2) . . ?
C217 N217 C231 111.8(17) . . ?
C217 N217 C230 123.9(15) . . ?
C231 N217 C230 122.5(17) . . ?
C231 N218 C232 122.6(15) . . ?
C231 N218 C218 112.0(15) . . ?
C232 N218 C218 125.0(16) . . ?
C233 N219 C219 114.1(12) . . ?
C233 N219 C232 122.2(13) . . ?
C219 N219 C232 121.8(13) . . ?
C233 N220 C234 125.9(13) . . ?
C233 N220 C220 110.0(14) . . ?
C234 N220 C220 123.0(13) . . ?
C235 N221 C221 112.0(13) . . ?
C235 N221 C234 122.2(13) . . ?
C221 N221 C234 125.3(15) . . ?
C236 N222 C235 124.1(14) . . ?
C236 N222 C222 124.3(13) . . ?
C235 N222 C222 104.9(14) . . ?
C237 N223 C236 119.9(16) . . ?
C237 N223 C223 107.4(16) . . ?
C236 N223 C223 123.9(16) . . ?
C237 N224 C224 111.3(19) . . ?
C237 N224 C238 125(2) . . ?
C224 N224 C238 121.7(18) . . ?
C238 N225 C239 129(2) . . ?
C238 N225 C225 127(2) . . ?
C239 N225 C225 103(2) . . ?
C239 N226 C226 103(2) . . ?
C239 N226 C240 127(2) . . ?
C226 N226 C240 129(2) . . ?
C241 N227 C240 121(3) . . ?
C241 N227 C227 113(3) . . ?
C240 N227 C227 127(2) . . ?
C241 N228 C242 120(2) . . ?
C241 N228 C228 113(2) . . ?
C242 N228 C228 123(2) . . ?
O201 C201 N202 126(3) . . ?
O201 C201 N201 123(2) . . ?
N202 C201 N201 111(2) . . ?
N203 C202 N202 117(2) . . ?
O202 C203 N203 126.6(18) . . ?
O202 C203 N204 125.0(18) . . ?
N203 C203 N204 108.3(16) . . ?
N205 C204 N204 109.9(14) . . ?
O203 C205 N205 126(2) . . ?
O203 C205 N206 126.0(19) . . ?
N205 C205 N206 107.5(14) . . ?
N206 C206 N207 116.5(14) . . ?
O204 C207 N207 132.8(18) . . ?
O204 C207 N208 124.9(14) . . ?
N207 C207 N208 102.3(14) . . ?
N209 C208 N208 114.9(12) . . ?
O205 C209 N210 127.8(15) . . ?
O205 C209 N209 124.5(19) . . ?
N210 C209 N209 107.7(16) . . ?
N210 C210 N211 118.0(15) . . ?
O206 C211 N211 127(3) . . ?
O206 C211 N212 133(3) . . ?
N211 C211 N212 100(3) . . ?
N212 C212 N213 109.8(18) . . ?
O207 C213 N213 128(4) . . ?
O207 C213 N214 113(4) . . ?
N213 C213 N214 118(3) . . ?
N201 C214 N214 111(2) . . ?
N215 C215 N201 117(2) . . ?
N215 C215 C216 106(2) . . ?
N201 C215 C216 101(2) . . ?
N202 C216 N216 112.9(16) . . ?
N202 C216 C215 104.7(18) . . ?
N216 C216 C215 99(2) . . ?
N217 C217 N203 113.6(16) . . ?
N217 C217 C218 102.0(14) . . ?
N203 C217 C218 102.9(14) . . ?
N218 C218 N204 114.7(13) . . ?
N218 C218 C217 105.1(15) . . ?
N204 C218 C217 103.5(12) . . ?
N205 C219 N219 115.1(12) . . ?
N205 C219 C220 105.0(13) . . ?
N219 C219 C220 101.0(11) . . ?
N206 C220 N220 114.9(12) . . ?
N206 C220 C219 103.0(13) . . ?
N220 C220 C219 105.6(13) . . ?
N221 C221 N207 117.8(15) . . ?
N221 C221 C222 104.2(14) . . ?
N207 C221 C222 100.9(12) . . ?
N208 C222 N222 114.5(13) . . ?
N208 C222 C221 104.3(14) . . ?
N222 C222 C221 104.2(13) . . ?
N209 C223 N223 111.3(13) . . ?
N209 C223 C224 104.8(15) . . ?
N223 C223 C224 103.0(16) . . ?
N224 C224 N210 114.2(19) . . ?
N224 C224 C223 104.0(16) . . ?
N210 C224 C223 99.5(15) . . ?
C226 C225 N211 101(2) . . ?
C226 C225 N225 103(2) . . ?
N211 C225 N225 111.9(16) . . ?
N226 C226 C225 112(3) . . ?
N226 C226 N212 110(2) . . ?
C225 C226 N212 108(2) . . ?
N213 C227 C228 109(3) . . ?
N213 C227 N227 111(2) . . ?
C228 C227 N227 105(3) . . ?
N214 C228 C227 104(3) . . ?
N214 C228 N228 118(2) . . ?
C227 C228 N228 102(2) . . ?
O208 C229 N215 128(3) . . ?
O208 C229 N216 126(2) . . ?
N215 C229 N216 106(3) . . ?
N217 C230 N216 113.4(13) . . ?
O209 C231 N218 130.1(16) . . ?
O209 C231 N217 121(2) . . ?
N218 C231 N217 108.8(17) . . ?
N218 C232 N219 114.3(12) . . ?
O210 C233 N219 125.4(14) . . ?
O210 C233 N220 125.1(15) . . ?
N219 C233 N220 109.2(13) . . ?
N221 C234 N220 114.1(13) . . ?
O211 C235 N221 129.3(15) . . ?
O211 C235 N222 119.8(17) . . ?
N221 C235 N222 110.9(14) . . ?
N222 C236 N223 112.2(13) . . ?
O212 C237 N224 124(2) . . ?
O212 C237 N223 123(2) . . ?
N224 C237 N223 113(2) . . ?
N225 C238 N224 114(2) . . ?
N226 C239 O213 123(3) . . ?
N226 C239 N225 118(2) . . ?
O213 C239 N225 119(3) . . ?
N227 C240 N226 118(2) . . ?
O214 C241 N227 129(3) . . ?
O214 C241 N228 127(3) . . ?
N227 C241 N228 104(3) . . ?
N215 C242 N228 113.2(17) . . ?
C301 N301 C315 114.6(16) . . ?
C301 N301 C314 125.7(15) . . ?
C315 N301 C314 119.1(15) . . ?
C301 N302 C316 114.9(15) . . ?
C301 N302 C302 120.0(16) . . ?
C316 N302 C302 122.9(18) . . ?
C303 N303 C317 112.0(19) . . ?
C303 N303 C302 124.4(19) . . ?
C317 N303 C302 122(2) . . ?
C318 N304 C303 115(2) . . ?
C318 N304 C304 122(2) . . ?
C303 N304 C304 121(2) . . ?
C305 N305 C319 115(2) . . ?
C305 N305 C304 122(2) . . ?
C319 N305 C304 119(2) . . ?
C305 N306 C320 113(2) . . ?
C305 N306 C306 121(2) . . ?
C320 N306 C306 125.6(19) . . ?
C307 N307 C306 121.7(17) . . ?
C307 N307 C321 112.9(17) . . ?
C306 N307 C321 125.0(17) . . ?
C322 N308 C307 115.7(16) . . ?
C322 N308 C308 123.2(17) . . ?
C307 N308 C308 120.1(15) . . ?
C309 N309 C308 126.1(16) . . ?
C309 N309 C323 114.0(16) . . ?
C308 N309 C323 119.8(15) . . ?
C310 N310 C324 124.1(17) . . ?
C310 N310 C309 123.7(17) . . ?
C324 N310 C309 110.8(17) . . ?
C311 N311 C310 124.4(19) . . ?
C311 N311 C325 116.2(18) . . ?
C310 N311 C325 117.9(17) . . ?
C312 N312 C311 120.9(18) . . ?
C312 N312 C326 126.1(18) . . ?
C311 N312 C326 110.5(16) . . ?
C327 N313 C313 118.7(19) . . ?
C327 N313 C312 122.6(17) . . ?
C313 N313 C312 116.4(19) . . ?
C313 N314 C314 122.6(16) . . ?
C313 N314 C328 111.5(17) . . ?
C314 N314 C328 125.7(17) . . ?
C329 N315 C342 121.3(17) . . ?
C329 N315 C315 109.7(17) . . ?
C342 N315 C315 125.4(16) . . ?
C329 N316 C330 123.0(17) . . ?
C329 N316 C316 111.7(16) . . ?
C330 N316 C316 124.5(18) . . ?
C331 N317 C330 123.3(19) . . ?
C331 N317 C317 109.7(17) . . ?
C330 N317 C317 127.0(17) . . ?
C331 N318 C332 123.1(17) . . ?
C331 N318 C318 115.2(16) . . ?
C332 N318 C318 120.8(19) . . ?
C333 N319 C319 114.0(19) . . ?
C333 N319 C332 123(2) . . ?
C319 N319 C332 121(2) . . ?
C333 N320 C320 109.5(19) . . ?
C333 N320 C334 126.1(18) . . ?
C320 N320 C334 122.4(17) . . ?
C334 N321 C335 124.7(19) . . ?
C334 N321 C321 123(2) . . ?
C335 N321 C321 109.6(19) . . ?
C335 N322 C322 115.3(19) . . ?
C335 N322 C336 119.4(19) . . ?
C322 N322 C336 121(2) . . ?
C336 N323 C337 125.3(18) . . ?
C336 N323 C323 122.0(17) . . ?
C337 N323 C323 105.3(18) . . ?
C337 N324 C324 108.8(16) . . ?
C337 N324 C338 123.8(17) . . ?
C324 N324 C338 127.1(17) . . ?
C338 N325 C339 122.5(16) . . ?
C338 N325 C325 123.1(17) . . ?
C339 N325 C325 112.6(16) . . ?
C340 N326 C339 123.3(16) . . ?
C340 N326 C326 127.7(14) . . ?
C339 N326 C326 108.6(16) . . ?
C340 N327 C341 124.3(14) . . ?
C340 N327 C327 126.4(15) . . ?
C341 N327 C327 108.4(14) . . ?
C341 N328 C342 120.8(15) . . ?
C341 N328 C328 109.7(16) . . ?
C342 N328 C328 125.6(15) . . ?
O301 C301 N301 124.7(19) . . ?
O301 C301 N302 129.3(18) . . ?
N301 C301 N302 106.0(15) . . ?
N302 C302 N303 112.2(14) . . ?
O302 C303 N303 124(2) . . ?
O302 C303 N304 129(3) . . ?
N303 C303 N304 106(2) . . ?
N304 C304 N305 110.2(18) . . ?
O303 C305 N305 123(3) . . ?
O303 C305 N306 130(3) . . ?
N305 C305 N306 107(2) . . ?
N306 C306 N307 115.3(19) . . ?
O304 C307 N307 128(2) . . ?
O304 C307 N308 127.1(18) . . ?
N307 C307 N308 104.4(16) . . ?
N309 C308 N308 114.0(14) . . ?
O305 C309 N309 123(2) . . ?
O305 C309 N310 129(2) . . ?
N309 C309 N310 107.6(18) . . ?
N310 C310 N311 118.2(16) . . ?
O306 C311 N311 126(3) . . ?
O306 C311 N312 126(2) . . ?
N311 C311 N312 108.0(17) . . ?
N312 C312 N313 115.0(16) . . ?
O307 C313 N314 129(2) . . ?
O307 C313 N313 128(2) . . ?
N314 C313 N313 103.3(18) . . ?
N314 C314 N301 116.6(14) . . ?
N315 C315 N301 117.5(15) . . ?
N315 C315 C316 107.0(14) . . ?
N301 C315 C316 100.0(14) . . ?
N302 C316 N316 116.5(16) . . ?
N302 C316 C315 103.2(14) . . ?
N316 C316 C315 100.7(14) . . ?
N303 C317 N317 113.0(16) . . ?
N303 C317 C318 103.4(19) . . ?
N317 C317 C318 103.7(17) . . ?
N304 C318 N318 116.3(19) . . ?
N304 C318 C317 103.8(17) . . ?
N318 C318 C317 103.7(19) . . ?
N319 C319 N305 113.7(17) . . ?
N319 C319 C320 99.3(19) . . ?
N305 C319 C320 100.4(18) . . ?
N320 C320 N306 119(2) . . ?
N320 C320 C319 106.0(17) . . ?
N306 C320 C319 103.7(18) . . ?
N321 C321 N307 116.7(18) . . ?
N321 C321 C322 105.3(17) . . ?
N307 C321 C322 103.9(15) . . ?
N322 C322 N308 117.0(15) . . ?
N322 C322 C321 101.5(18) . . ?
N308 C322 C321 103.0(17) . . ?
N309 C323 N323 114.2(16) . . ?
N309 C323 C324 99.3(14) . . ?
N323 C323 C324 104.2(14) . . ?
N310 C324 N324 114.3(15) . . ?
N310 C324 C323 106.3(14) . . ?
N324 C324 C323 104.1(15) . . ?
N325 C325 N311 114.3(14) . . ?
N325 C325 C326 101.8(14) . . ?
N311 C325 C326 98.3(14) . . ?
N326 C326 N312 114.5(15) . . ?
N326 C326 C325 105.7(12) . . ?
N312 C326 C325 106.9(14) . . ?
N313 C327 N327 114.2(14) . . ?
N313 C327 C328 97.9(15) . . ?
N327 C327 C328 105.4(14) . . ?
N314 C328 N328 114.3(14) . . ?
N314 C328 C327 107.3(16) . . ?
N328 C328 C327 103.7(14) . . ?
O308 C329 N315 122(2) . . ?
O308 C329 N316 127(2) . . ?
N315 C329 N316 110.3(18) . . ?
N317 C330 N316 114.6(16) . . ?
O309 C331 N318 128.1(19) . . ?
O309 C331 N317 124(2) . . ?
N318 C331 N317 107.6(17) . . ?
N318 C332 N319 113.2(17) . . ?
O310 C333 N320 121(2) . . ?
O310 C333 N319 128(2) . . ?
N320 C333 N319 110.7(19) . . ?
N321 C334 N320 116.0(18) . . ?
O311 C335 N322 130(3) . . ?
O311 C335 N321 123(2) . . ?
N322 C335 N321 107(2) . . ?
N323 C336 N322 110.8(15) . . ?
O312 C337 N324 124(2) . . ?
O312 C337 N323 121(2) . . ?
N324 C337 N323 114.9(19) . . ?
N325 C338 N324 110.8(15) . . ?
O313 C339 N325 126.9(18) . . ?
O313 C339 N326 121(2) . . ?
N325 C339 N326 111.3(16) . . ?
N327 C340 N326 115.5(14) . . ?
O314 C341 N328 125(2) . . ?
O314 C341 N327 122.7(18) . . ?
N328 C341 N327 112.2(16) . . ?
N315 C342 N328 113.3(14) . . ?
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 O1A 1.998(10) . ?
Pt1 O2A 2.019(9) . ?
Pt1 N1A 2.020(11) . ?
Pt1 N2A 2.031(12) . ?
O1A C7A 1.31(2) . ?
O2A C8A 1.332(17) . ?
O3A C7A 1.240(19) . ?
O4A C8A 1.237(18) . ?
N1A C1A 1.486(18) . ?
N2A C6A 1.470(19) . ?
C1A C2A 1.46(2) . ?
C1A C6A 1.56(2) . ?
C2A C3A 1.53(2) . ?
C3A C4A 1.48(2) . ?
C4A C5A 1.54(2) . ?
C5A C6A 1.55(2) . ?
C7A C8A 1.56(2) . ?
Pt2 N1B 1.973(14) . ?
Pt2 O2B 2.018(11) . ?
Pt2 O1B 2.019(11) . ?
Pt2 N2B 2.031(12) . ?
O1B C7B 1.33(2) . ?
O2B C8B 1.30(2) . ?
O3B C7B 1.27(2) . ?
O4B C8B 1.19(2) . ?
N1B C1B 1.54(2) . ?
N2B C6B 1.520(19) . ?
C1B C6B 1.44(2) . ?
C1B C2B 1.47(2) . ?
C2B C3B 1.52(2) . ?
C3B C4B 1.58(3) . ?
C4B C5B 1.58(2) . ?
C5B C6B 1.48(2) . ?
C7B C8B 1.55(3) . ?
Pt3 N1C 1.91(2) . ?
Pt3 N2C 1.92(2) . ?
Pt3 O2C 1.95(2) . ?
Pt3 O1C 1.99(2) . ?
O1C C7C 1.44(4) . ?
O2C C8C 1.15(3) . ?
O3C C7C 1.16(4) . ?
O4C C8C 1.22(3) . ?
N1C C1C 1.47(3) . ?
N2C C6C 1.47(3) . ?
C1C C6C 1.26(3) . ?
C1C C2C 1.56(3) . ?
C2C C3C 1.56(4) . ?
C3C C4C 1.35(3) . ?
C4C C5C 1.52(3) . ?
C5C C6C 1.45(3) . ?
C7C C8C 1.43(4) . ?
Pt3' N1C' 1.89(2) . ?
Pt3' N2C' 1.92(2) . ?
Pt3' O2C' 1.96(3) . ?
Pt3' O1C' 1.99(2) . ?
O1C' C7C' 1.46(4) . ?
O2C' C8C' 1.17(4) . ?
O3C' C7C' 1.13(4) . ?
O4C' C8C' 1.24(4) . ?
N1C' C1C' 1.45(3) . ?
N2C' C6C' 1.48(3) . ?
C1C' C6C' 1.28(4) . ?
C1C' C2C' 1.55(3) . ?
C2C' C3C' 1.56(4) . ?
C3C' C4C' 1.32(3) . ?
C4C' C5C' 1.53(3) . ?
C5C' C6C' 1.49(3) . ?
C7C' C8C' 1.44(4) . ?
O101 C101 1.171(19) . ?
O102 C103 1.21(2) . ?
O103 C105 1.23(2) . ?
O104 C107 1.225(19) . ?
O105 C109 1.215(16) . ?
O106 C111 1.232(19) . ?
O107 C113 1.20(2) . ?
O108 C129 1.19(2) . ?
O109 C131 1.18(2) . ?
O110 C133 1.25(3) . ?
O111 C135 1.19(2) . ?
O112 C137 1.19(2) . ?
O113 C139 1.20(2) . ?
O114 C141 1.17(2) . ?
N101 C114 1.38(2) . ?
N101 C101 1.41(2) . ?
N101 C115 1.45(2) . ?
N102 C101 1.32(2) . ?
N102 C102 1.45(2) . ?
N102 C116 1.51(2) . ?
N103 C102 1.39(2) . ?
N103 C103 1.41(3) . ?
N103 C117 1.51(3) . ?
N104 C103 1.33(2) . ?
N104 C104 1.45(2) . ?
N104 C118 1.53(2) . ?
N105 C105 1.29(3) . ?
N105 C104 1.40(2) . ?
N105 C119 1.42(2) . ?
N106 C105 1.42(2) . ?
N106 C120 1.439(19) . ?
N106 C106 1.50(2) . ?
N107 C107 1.42(2) . ?
N107 C106 1.45(2) . ?
N107 C121 1.46(2) . ?
N108 C107 1.35(2) . ?
N108 C122 1.46(2) . ?
N108 C108 1.49(2) . ?
N109 C109 1.366(18) . ?
N109 C108 1.432(19) . ?
N109 C123 1.43(2) . ?
N110 C109 1.356(17) . ?
N110 C110 1.469(17) . ?
N110 C124 1.471(18) . ?
N111 C111 1.37(2) . ?
N111 C125 1.402(19) . ?
N111 C110 1.409(18) . ?
N112 C112 1.37(2) . ?
N112 C111 1.38(2) . ?
N112 C126 1.48(2) . ?
N113 C113 1.35(3) . ?
N113 C112 1.45(2) . ?
N113 C127 1.49(2) . ?
N114 C113 1.37(2) . ?
N114 C114 1.42(2) . ?
N114 C128 1.50(3) . ?
N115 C129 1.31(2) . ?
N115 C142 1.43(3) . ?
N115 C115 1.45(2) . ?
N116 C129 1.30(3) . ?
N116 C130 1.39(3) . ?
N116 C116 1.41(2) . ?
N117 C130 1.32(3) . ?
N117 C131 1.40(3) . ?
N117 C117 1.49(3) . ?
N118 C131 1.37(3) . ?
N118 C132 1.42(3) . ?
N118 C118 1.49(3) . ?
N119 C133 1.47(3) . ?
N119 C119 1.47(2) . ?
N119 C132 1.49(3) . ?
N120 C134 1.37(2) . ?
N120 C133 1.40(3) . ?
N120 C120 1.42(2) . ?
N121 C134 1.41(2) . ?
N121 C121 1.47(2) . ?
N121 C135 1.48(2) . ?
N122 C136 1.40(2) . ?
N122 C135 1.43(3) . ?
N122 C122 1.49(2) . ?
N123 C137 1.39(2) . ?
N123 C136 1.44(2) . ?
N123 C123 1.52(2) . ?
N124 C137 1.292(19) . ?
N124 C138 1.402(19) . ?
N124 C124 1.433(18) . ?
N125 C125 1.421(18) . ?
N125 C139 1.43(2) . ?
N125 C138 1.51(2) . ?
N126 C139 1.41(2) . ?
N126 C126 1.44(2) . ?
N126 C140 1.466(19) . ?
N127 C141 1.41(2) . ?
N127 C127 1.42(2) . ?
N127 C140 1.44(2) . ?
N128 C142 1.41(3) . ?
N128 C141 1.43(3) . ?
N128 C128 1.45(3) . ?
C115 C116 1.46(2) . ?
C117 C118 1.55(3) . ?
C119 C120 1.61(3) . ?
C121 C122 1.59(2) . ?
C123 C124 1.54(2) . ?
C125 C126 1.57(2) . ?
C127 C128 1.55(3) . ?
O201 C201 1.28(2) . ?
O202 C203 1.240(19) . ?
O203 C205 1.235(18) . ?
O204 C207 1.193(18) . ?
O205 C209 1.231(19) . ?
O206 C211 1.14(3) . ?
O207 C213 1.26(3) . ?
O208 C229 1.24(3) . ?
O209 C231 1.25(2) . ?
O210 C233 1.241(16) . ?
O211 C235 1.232(17) . ?
O212 C237 1.29(2) . ?
O213 C239 1.33(3) . ?
O214 C241 1.28(3) . ?
N201 C201 1.36(3) . ?
N201 C214 1.37(3) . ?
N201 C215 1.48(3) . ?
N202 C201 1.30(3) . ?
N202 C216 1.39(2) . ?
N202 C202 1.42(3) . ?
N203 C203 1.38(2) . ?
N203 C202 1.42(2) . ?
N203 C217 1.464(19) . ?
N204 C203 1.39(2) . ?
N204 C204 1.45(2) . ?
N204 C218 1.48(2) . ?
N205 C205 1.37(2) . ?
N205 C219 1.403(17) . ?
N205 C204 1.44(2) . ?
N206 C206 1.40(2) . ?
N206 C205 1.41(2) . ?
N206 C220 1.448(19) . ?
N207 C207 1.356(18) . ?
N207 C221 1.419(19) . ?
N207 C206 1.45(2) . ?
N208 C222 1.398(17) . ?
N208 C207 1.42(2) . ?
N208 C208 1.471(17) . ?
N209 C209 1.372(19) . ?
N209 C223 1.45(2) . ?
N209 C208 1.46(2) . ?
N210 C209 1.37(2) . ?
N210 C210 1.43(2) . ?
N210 C224 1.45(2) . ?
N211 C210 1.44(2) . ?
N211 C211 1.45(3) . ?
N211 C225 1.49(2) . ?
N212 C212 1.41(3) . ?
N212 C211 1.50(3) . ?
N212 C226 1.57(3) . ?
N213 C213 1.26(4) . ?
N213 C212 1.42(3) . ?
N213 C227 1.45(3) . ?
N214 C214 1.41(3) . ?
N214 C228 1.45(3) . ?
N214 C213 1.47(4) . ?
N215 C229 1.33(3) . ?
N215 C242 1.39(2) . ?
N215 C215 1.39(3) . ?
N216 C229 1.37(3) . ?
N216 C216 1.45(2) . ?
N216 C230 1.48(2) . ?
N217 C217 1.43(2) . ?
N217 C231 1.43(2) . ?
N217 C230 1.47(2) . ?
N218 C231 1.33(2) . ?
N218 C232 1.386(19) . ?
N218 C218 1.449(19) . ?
N219 C233 1.362(17) . ?
N219 C219 1.456(16) . ?
N219 C232 1.476(18) . ?
N220 C233 1.366(19) . ?
N220 C234 1.457(19) . ?
N220 C220 1.473(19) . ?
N221 C235 1.319(19) . ?
N221 C221 1.395(18) . ?
N221 C234 1.431(18) . ?
N222 C236 1.399(18) . ?
N222 C235 1.425(18) . ?
N222 C222 1.47(2) . ?
N223 C237 1.37(2) . ?
N223 C236 1.417(18) . ?
N223 C223 1.48(2) . ?
N224 C237 1.37(2) . ?
N224 C224 1.40(3) . ?
N224 C238 1.45(2) . ?
N225 C238 1.35(3) . ?
N225 C239 1.45(3) . ?
N225 C225 1.49(2) . ?
N226 C239 1.32(3) . ?
N226 C226 1.43(3) . ?
N226 C240 1.49(3) . ?
N227 C241 1.38(3) . ?
N227 C240 1.41(3) . ?
N227 C227 1.51(3) . ?
N228 C241 1.43(3) . ?
N228 C242 1.47(2) . ?
N228 C228 1.52(3) . ?
C215 C216 1.53(3) . ?
C217 C218 1.57(2) . ?
C219 C220 1.55(2) . ?
C221 C222 1.51(2) . ?
C223 C224 1.59(3) . ?
C225 C226 1.48(3) . ?
C227 C228 1.46(3) . ?
O301 C301 1.217(17) . ?
O302 C303 1.18(3) . ?
O303 C305 1.26(3) . ?
O304 C307 1.181(19) . ?
O305 C309 1.21(2) . ?
O306 C311 1.21(2) . ?
O307 C313 1.20(2) . ?
O308 C329 1.23(2) . ?
O309 C331 1.20(2) . ?
O310 C333 1.29(2) . ?
O311 C335 1.19(2) . ?
O312 C337 1.28(2) . ?
O313 C339 1.238(19) . ?
O314 C341 1.264(19) . ?
N301 C301 1.326(19) . ?
N301 C315 1.447(19) . ?
N301 C314 1.51(2) . ?
N302 C301 1.35(2) . ?
N302 C316 1.37(2) . ?
N302 C302 1.44(2) . ?
N303 C303 1.39(3) . ?
N303 C317 1.47(2) . ?
N303 C302 1.47(2) . ?
N304 C318 1.39(3) . ?
N304 C303 1.40(3) . ?
N304 C304 1.47(3) . ?
N305 C305 1.33(3) . ?
N305 C319 1.42(2) . ?
N305 C304 1.48(3) . ?
N306 C305 1.37(3) . ?
N306 C320 1.39(2) . ?
N306 C306 1.41(3) . ?
N307 C307 1.39(2) . ?
N307 C306 1.43(2) . ?
N307 C321 1.48(2) . ?
N308 C322 1.41(2) . ?
N308 C307 1.42(2) . ?
N308 C308 1.47(2) . ?
N309 C309 1.38(2) . ?
N309 C308 1.45(2) . ?
N309 C323 1.46(2) . ?
N310 C310 1.38(2) . ?
N310 C324 1.41(2) . ?
N310 C309 1.42(2) . ?
N311 C311 1.35(2) . ?
N311 C310 1.41(2) . ?
N311 C325 1.47(2) . ?
N312 C312 1.39(2) . ?
N312 C311 1.42(3) . ?
N312 C326 1.42(2) . ?
N313 C327 1.38(2) . ?
N313 C313 1.42(2) . ?
N313 C312 1.50(3) . ?
N314 C313 1.36(2) . ?
N314 C314 1.39(2) . ?
N314 C328 1.44(2) . ?
N315 C329 1.37(2) . ?
N315 C342 1.42(2) . ?
N315 C315 1.43(2) . ?
N316 C329 1.38(2) . ?
N316 C330 1.45(2) . ?
N316 C316 1.47(2) . ?
N317 C331 1.42(2) . ?
N317 C330 1.43(2) . ?
N317 C317 1.53(2) . ?
N318 C331 1.38(2) . ?
N318 C332 1.43(2) . ?
N318 C318 1.45(2) . ?
N319 C333 1.32(3) . ?
N319 C319 1.38(2) . ?
N319 C332 1.51(3) . ?
N320 C333 1.32(2) . ?
N320 C320 1.37(3) . ?
N320 C334 1.42(2) . ?
N321 C334 1.39(2) . ?
N321 C335 1.40(3) . ?
N321 C321 1.42(2) . ?
N322 C335 1.33(3) . ?
N322 C322 1.40(2) . ?
N322 C336 1.44(2) . ?
N323 C336 1.41(2) . ?
N323 C337 1.41(2) . ?
N323 C323 1.49(2) . ?
N324 C337 1.38(3) . ?
N324 C324 1.45(2) . ?
N324 C338 1.47(2) . ?
N325 C338 1.34(2) . ?
N325 C339 1.36(3) . ?
N325 C325 1.42(2) . ?
N326 C340 1.40(2) . ?
N326 C339 1.40(2) . ?
N326 C326 1.42(2) . ?
N327 C340 1.360(19) . ?
N327 C341 1.41(2) . ?
N327 C327 1.440(19) . ?
N328 C341 1.35(2) . ?
N328 C342 1.47(2) . ?
N328 C328 1.47(2) . ?
C315 C316 1.56(2) . ?
C317 C318 1.55(3) . ?
C319 C320 1.57(3) . ?
C321 C322 1.55(3) . ?
C323 C324 1.61(2) . ?
C325 C326 1.61(2) . ?
C327 C328 1.55(2) . ?
