#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/16/7051651.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_7051651
loop_
_publ_author_name
'Yamashita, Ken-ichi'
'Sato, Kei-ichi'
'Kawano, Masaki'
'Fujita, Makoto'
_publ_section_title
;
 Photo-induced self-assembly of Pt(ii)-linked rings and cages via the
 photolabilization of a Pt(ii)--py bond
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              264
_journal_paper_doi               10.1039/b817713a
_journal_volume                  33
_journal_year                    2009
_chemical_formula_sum            'C66 H123 N18 O37.5 Pt3'
_chemical_formula_weight         2354.09
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.901(2)
_cell_angle_beta                 94.205(2)
_cell_angle_gamma                100.971(2)
_cell_formula_units_Z            2
_cell_length_a                   13.8836(18)
_cell_length_b                   18.679(3)
_cell_length_c                   19.283(3)
_cell_measurement_reflns_used    8534
_cell_measurement_temperature    80(2)
_cell_measurement_theta_max      28.68
_cell_measurement_theta_min      2.226
_cell_volume                     4885.4(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2 v2.0-2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker XP'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      80(2)
_diffrn_measured_fraction_theta_full 0.895
_diffrn_measured_fraction_theta_max 0.895
_diffrn_measurement_device_type  'Bruker APEX-II CCD area detector system'
_diffrn_measurement_method       omega_scan
_diffrn_radiation_monochromator  focusing_mirror
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0266
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            56156
_diffrn_reflns_theta_full        28.87
_diffrn_reflns_theta_max         28.87
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    4.372
_exptl_absorpt_correction_T_max  0.6689
_exptl_absorpt_correction_T_min  0.5413
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2358
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.041
_refine_diff_density_min         -2.019
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1403
_refine_ls_number_reflns         22988
_refine_ls_number_restraints     780
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0615P)²+19.7036P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1039
_refine_ls_wR_factor_ref         0.1129
_reflns_number_gt                19664
_reflns_number_total             22988
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b817713a.txt
_cod_data_source_block           PtTriangle5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4885.4(11)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C66 H123 N18 O37.50 Pt3'
_cod_database_code               7051651
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 2.017421(12) 0.210378(9) 0.583533(9) 0.02435(5) Uani 1 1 d . . .
Pt2 Pt 1.381193(12) 0.600055(10) 0.120990(9) 0.02753(5) Uani 1 1 d . . .
Pt3 Pt 1.758542(16) 0.920996(11) 0.850582(10) 0.03699(6) Uani 1 1 d . . .
N1L N 1.8281(3) 0.8368(2) 0.8342(2) 0.0345(9) Uani 1 1 d . . .
C2L C 1.7965(4) 0.7726(3) 0.8610(3) 0.0381(11) Uani 1 1 d . . .
H2LA H 1.7482 0.7695 0.8937 0.046 Uiso 1 1 calc R . .
C3L C 1.8322(4) 0.7104(3) 0.8423(3) 0.0375(11) Uani 1 1 d . . .
H3LA H 1.8086 0.6657 0.8625 0.045 Uiso 1 1 calc R . .
C4L C 1.9014(4) 0.7135(3) 0.7947(3) 0.0315(10) Uani 1 1 d . . .
C5L C 1.9377(4) 0.7815(3) 0.7703(3) 0.0422(12) Uani 1 1 d . . .
H5LA H 1.9887 0.7867 0.7396 0.051 Uiso 1 1 calc R . .
C6L C 1.8994(5) 0.8412(3) 0.7907(3) 0.0448(13) Uani 1 1 d . . .
H6LA H 1.9245 0.8871 0.7733 0.054 Uiso 1 1 calc R . .
C7L C 1.9317(3) 0.6465(2) 0.7661(3) 0.0291(9) Uani 1 1 d . . .
C8L C 2.0131(3) 0.6222(3) 0.7969(3) 0.0300(9) Uani 1 1 d . . .
C9L C 2.0374(3) 0.5579(3) 0.7702(3) 0.0297(9) Uani 1 1 d . . .
C10L C 1.9802(3) 0.5184(3) 0.7131(2) 0.0277(9) Uani 1 1 d . . .
C11L C 1.8990(3) 0.5428(3) 0.6814(2) 0.0291(9) Uani 1 1 d . . .
C12L C 1.8740(4) 0.6067(3) 0.7086(3) 0.0303(9) Uani 1 1 d . . .
C13L C 2.0723(4) 0.6635(3) 0.8605(3) 0.0439(13) Uani 1 1 d . . .
H13A H 2.1421 0.6746 0.8519 0.066 Uiso 1 1 calc R . .
H13B H 2.0638 0.6335 0.9007 0.066 Uiso 1 1 calc R . .
H13C H 2.0493 0.7092 0.8701 0.066 Uiso 1 1 calc R . .
C14L C 2.1219(4) 0.5292(3) 0.8056(3) 0.0408(12) Uani 1 1 d . . .
H14A H 2.1822 0.5667 0.8076 0.061 Uiso 1 1 calc R . .
H14B H 2.1314 0.4852 0.7792 0.061 Uiso 1 1 calc R . .
H14C H 2.1069 0.5172 0.8530 0.061 Uiso 1 1 calc R . .
C15L C 1.8379(4) 0.5005(3) 0.6191(3) 0.0413(12) Uani 1 1 d . . .
H15A H 1.8669 0.4587 0.6051 0.062 Uiso 1 1 calc R . .
H15B H 1.8365 0.5325 0.5804 0.062 Uiso 1 1 calc R . .
H15C H 1.7706 0.4830 0.6315 0.062 Uiso 1 1 calc R . .
C16L C 1.7833(4) 0.6309(3) 0.6772(3) 0.0411(12) Uani 1 1 d . . .
H16A H 1.7730 0.6744 0.7040 0.062 Uiso 1 1 calc R . .
H16B H 1.7258 0.5915 0.6784 0.062 Uiso 1 1 calc R . .
H16C H 1.7922 0.6424 0.6288 0.062 Uiso 1 1 calc R . .
N17L N 2.0206(3) 0.3095(2) 0.6320(2) 0.0269(8) Uani 1 1 d . . .
C18L C 2.0740(4) 0.3712(3) 0.6110(3) 0.0396(12) Uani 1 1 d . . .
H18A H 2.1191 0.3678 0.5767 0.048 Uiso 1 1 calc R . .
C19L C 2.0653(4) 0.4392(3) 0.6376(3) 0.0390(12) Uani 1 1 d . . .
H19A H 2.1045 0.4816 0.6217 0.047 Uiso 1 1 calc R . .
C20L C 2.0000(3) 0.4465(3) 0.6872(2) 0.0272(9) Uani 1 1 d . . .
C21L C 1.9494(4) 0.3822(3) 0.7110(3) 0.0324(10) Uani 1 1 d . . .
H21A H 1.9065 0.3843 0.7470 0.039 Uiso 1 1 calc R . .
C22L C 1.9610(4) 0.3153(3) 0.6828(3) 0.0323(10) Uani 1 1 d . . .
H22A H 1.9257 0.2720 0.6999 0.039 Uiso 1 1 calc R . .
N23L N 1.9316(3) 0.24108(19) 0.50476(19) 0.0237(7) Uani 1 1 d . . .
C24L C 1.9709(3) 0.2744(2) 0.4507(2) 0.0282(9) Uani 1 1 d . . .
H24A H 2.0394 0.2784 0.4463 0.034 Uiso 1 1 calc R . .
C25L C 1.9142(3) 0.3035(3) 0.4007(2) 0.0284(9) Uani 1 1 d . . .
H25A H 1.9440 0.3271 0.3630 0.034 Uiso 1 1 calc R . .
C26L C 1.8137(3) 0.2976(2) 0.4064(2) 0.0232(8) Uani 1 1 d . . .
C27L C 1.7733(3) 0.2608(2) 0.4615(2) 0.0267(9) Uani 1 1 d . . .
H27A H 1.7046 0.2545 0.4663 0.032 Uiso 1 1 calc R . .
C28L C 1.8341(3) 0.2334(3) 0.5095(2) 0.0273(9) Uani 1 1 d . . .
H28A H 1.8058 0.2084 0.5470 0.033 Uiso 1 1 calc R . .
C29L C 1.7516(3) 0.3322(2) 0.3569(2) 0.0242(8) Uani 1 1 d . . .
C30L C 1.7200(3) 0.2990(2) 0.2904(2) 0.0262(9) Uani 1 1 d . . .
C31L C 1.6611(3) 0.3330(3) 0.2450(2) 0.0259(9) Uani 1 1 d . . .
C32L C 1.6351(3) 0.3984(2) 0.2677(2) 0.0250(8) Uani 1 1 d . . .
C33L C 1.6671(3) 0.4320(2) 0.3342(2) 0.0248(8) Uani 1 1 d . . .
C34L C 1.7254(3) 0.3980(2) 0.3796(2) 0.0242(8) Uani 1 1 d . . .
C35L C 1.7464(4) 0.2273(3) 0.2675(3) 0.0347(10) Uani 1 1 d . . .
H35A H 1.7827 0.2094 0.3063 0.052 Uiso 1 1 calc R . .
H35B H 1.7876 0.2344 0.2283 0.052 Uiso 1 1 calc R . .
H35C H 1.6861 0.1915 0.2529 0.052 Uiso 1 1 calc R . .
C36L C 1.6258(4) 0.2975(3) 0.1732(2) 0.0331(10) Uani 1 1 d . . .
H36A H 1.5884 0.3288 0.1476 0.050 Uiso 1 1 calc R . .
H36B H 1.5834 0.2499 0.1774 0.050 Uiso 1 1 calc R . .
H36C H 1.6826 0.2909 0.1480 0.050 Uiso 1 1 calc R . .
C37L C 1.6384(4) 0.5030(3) 0.3577(3) 0.0327(10) Uani 1 1 d . . .
H37A H 1.5834 0.5116 0.3264 0.049 Uiso 1 1 calc R . .
H37B H 1.6947 0.5433 0.3566 0.049 Uiso 1 1 calc R . .
H37C H 1.6183 0.5000 0.4053 0.049 Uiso 1 1 calc R . .
C38L C 1.7602(3) 0.4311(3) 0.4528(2) 0.0278(9) Uani 1 1 d . . .
H38A H 1.8256 0.4210 0.4661 0.042 Uiso 1 1 calc R . .
H38B H 1.7138 0.4095 0.4855 0.042 Uiso 1 1 calc R . .
H38C H 1.7637 0.4840 0.4542 0.042 Uiso 1 1 calc R . .
C39L C 1.5722(3) 0.4364(3) 0.2211(2) 0.0268(9) Uani 1 1 d . . .
C40L C 1.6140(4) 0.4929(3) 0.1821(3) 0.0335(10) Uani 1 1 d . . .
H40A H 1.6831 0.5031 0.1788 0.040 Uiso 1 1 calc R . .
C41L C 1.5554(4) 0.5343(3) 0.1483(3) 0.0343(10) Uani 1 1 d . . .
H41A H 1.5853 0.5722 0.1212 0.041 Uiso 1 1 calc R . .
N42L N 1.4575(3) 0.5230(2) 0.1522(2) 0.0274(8) Uani 1 1 d . . .
C43L C 1.4157(4) 0.4657(3) 0.1855(3) 0.0342(10) Uani 1 1 d . . .
H43A H 1.3461 0.4552 0.1861 0.041 Uiso 1 1 calc R . .
C44L C 1.4700(4) 0.4210(3) 0.2192(3) 0.0334(10) Uani 1 1 d . . .
H44A H 1.4375 0.3799 0.2411 0.040 Uiso 1 1 calc R . .
N45L N 1.4002(3) 0.6437(3) 0.2206(2) 0.0338(9) Uani 1 1 d . . .
C46L C 1.4918(4) 0.6655(4) 0.2525(3) 0.0444(13) Uani 1 1 d . . .
H46A H 1.5470 0.6623 0.2271 0.053 Uiso 1 1 calc R . .
C47L C 1.5070(4) 0.6923(4) 0.3208(3) 0.0466(14) Uani 1 1 d . . .
H47A H 1.5724 0.7054 0.3421 0.056 Uiso 1 1 calc R . .
C48L C 1.4296(4) 0.7006(3) 0.3593(2) 0.0320(10) Uani 1 1 d . . .
C49L C 1.3370(4) 0.6790(5) 0.3258(3) 0.0570(19) Uani 1 1 d . . .
H49A H 1.2809 0.6840 0.3496 0.068 Uiso 1 1 calc R . .
C50L C 1.3251(4) 0.6501(5) 0.2577(3) 0.060(2) Uani 1 1 d . . .
H50A H 1.2602 0.6340 0.2365 0.073 Uiso 1 1 calc R . .
C51L C 1.4514(3) 0.7298(3) 0.4337(2) 0.0294(9) Uani 1 1 d . . .
C52L C 1.4496(4) 0.8029(3) 0.4515(3) 0.0312(10) Uani 1 1 d . . .
C53L C 1.4834(3) 0.8318(3) 0.5195(3) 0.0296(9) Uani 1 1 d . . .
C54L C 1.5205(3) 0.7879(2) 0.5671(2) 0.0261(9) Uani 1 1 d . . .
C55L C 1.5198(3) 0.7140(2) 0.5497(2) 0.0245(8) Uani 1 1 d . . .
C56L C 1.4834(3) 0.6846(3) 0.4825(2) 0.0274(9) Uani 1 1 d . . .
C57L C 1.4166(5) 0.8526(3) 0.3991(3) 0.0447(13) Uani 1 1 d . . .
H57A H 1.4687 0.8957 0.3971 0.067 Uiso 1 1 calc R . .
H57B H 1.3568 0.8678 0.4131 0.067 Uiso 1 1 calc R . .
H57C H 1.4029 0.8263 0.3530 0.067 Uiso 1 1 calc R . .
C58L C 1.4812(4) 0.9112(3) 0.5402(3) 0.0389(11) Uani 1 1 d . . .
H58A H 1.4867 0.9185 0.5912 0.058 Uiso 1 1 calc R . .
H58B H 1.4191 0.9229 0.5212 0.058 Uiso 1 1 calc R . .
H58C H 1.5364 0.9431 0.5216 0.058 Uiso 1 1 calc R . .
C59L C 1.5637(4) 0.6667(3) 0.5997(3) 0.0312(10) Uani 1 1 d . . .
H59A H 1.6077 0.6406 0.5756 0.047 Uiso 1 1 calc R . .
H59B H 1.5108 0.6314 0.6170 0.047 Uiso 1 1 calc R . .
H59C H 1.6011 0.6976 0.6390 0.047 Uiso 1 1 calc R . .
C60L C 1.4852(4) 0.6058(3) 0.4629(3) 0.0337(10) Uani 1 1 d . . .
H60A H 1.4592 0.5753 0.4998 0.051 Uiso 1 1 calc R . .
H60B H 1.5531 0.6005 0.4571 0.051 Uiso 1 1 calc R . .
H60C H 1.4446 0.5903 0.4191 0.051 Uiso 1 1 calc R . .
N61L N 1.6741(3) 0.8844(2) 0.7603(2) 0.0327(9) Uani 1 1 d . . .
C62L C 1.5884(4) 0.8380(3) 0.7605(3) 0.0376(11) Uani 1 1 d . . .
H62A H 1.5630 0.8265 0.8039 0.045 Uiso 1 1 calc R . .
C63L C 1.5352(4) 0.8059(3) 0.6997(3) 0.0372(11) Uani 1 1 d . . .
H63A H 1.4746 0.7727 0.7018 0.045 Uiso 1 1 calc R . .
C64L C 1.5702(3) 0.8220(2) 0.6354(2) 0.0283(9) Uani 1 1 d . . .
C65L C 1.6586(4) 0.8714(3) 0.6365(3) 0.0408(12) Uani 1 1 d . . .
H65A H 1.6856 0.8845 0.5940 0.049 Uiso 1 1 calc R . .
C66L C 1.7076(4) 0.9016(3) 0.6992(3) 0.0429(13) Uani 1 1 d . . .
H66A H 1.7675 0.9360 0.6987 0.052 Uiso 1 1 calc R . .
N1 N 2.1025(4) 0.1763(2) 0.6607(2) 0.0386(10) Uani 1 1 d . . .
H1A H 2.1674 0.1978 0.6584 0.046 Uiso 1 1 calc R . .
H1B H 2.0837 0.1899 0.7035 0.046 Uiso 1 1 calc R . .
C2 C 2.0910(5) 0.0954(3) 0.6527(3) 0.0461(14) Uani 1 1 d . . .
H2A H 2.0301 0.0718 0.6727 0.055 Uiso 1 1 calc R . .
H2B H 2.1477 0.0798 0.6775 0.055 Uiso 1 1 calc R . .
C3 C 2.0856(4) 0.0736(3) 0.5766(3) 0.0384(11) Uani 1 1 d . . .
H3A H 2.1507 0.0896 0.5586 0.046 Uiso 1 1 calc R . .
H3B H 2.0670 0.0198 0.5689 0.046 Uiso 1 1 calc R . .
N4 N 2.0109(3) 0.1084(2) 0.5393(2) 0.0296(8) Uani 1 1 d . . .
H4A H 1.9491 0.0807 0.5417 0.036 Uiso 1 1 calc R . .
H4B H 2.0228 0.1111 0.4931 0.036 Uiso 1 1 calc R . .
N5 N 1.3589(3) 0.5615(2) 0.0193(2) 0.0332(9) Uani 1 1 d . . .
H5A H 1.4170 0.5716 -0.0016 0.040 Uiso 1 1 calc R . .
H5B H 1.3372 0.5116 0.0164 0.040 Uiso 1 1 calc R . .
C6 C 1.2843(4) 0.5971(3) -0.0165(3) 0.0447(13) Uani 1 1 d . . .
H6A H 1.2174 0.5716 -0.0079 0.054 Uiso 1 1 calc R . .
H6B H 1.2902 0.5942 -0.0674 0.054 Uiso 1 1 calc R . .
C7 C 1.2995(6) 0.6749(4) 0.0099(3) 0.0549(17) Uani 1 1 d . . .
H7A H 1.2436 0.6969 -0.0075 0.066 Uiso 1 1 calc R . .
H7B H 1.3608 0.7029 -0.0062 0.066 Uiso 1 1 calc R . .
N8 N 1.3066(4) 0.6767(3) 0.0878(2) 0.0398(10) Uani 1 1 d . . .
H8A H 1.2444 0.6679 0.1030 0.048 Uiso 1 1 calc R . .
H8B H 1.3386 0.7222 0.1060 0.048 Uiso 1 1 calc R . .
N9 N 1.6910(5) 1.0059(3) 0.8707(3) 0.0626(16) Uani 1 1 d . . .
H9A H 1.6833 1.0301 0.8309 0.075 Uiso 1 1 calc R . .
H9B H 1.6296 0.9889 0.8853 0.075 Uiso 1 1 calc R . .
C10 C 1.7523(13) 1.0568(8) 0.9262(7) 0.179(9) Uani 1 1 d . . .
H10A H 1.8004 1.0930 0.9043 0.215 Uiso 1 1 calc R . .
H10B H 1.7094 1.0837 0.9517 0.215 Uiso 1 1 calc R . .
C11 C 1.8035(10) 1.0191(6) 0.9741(5) 0.105(4) Uani 1 1 d . . .
H11A H 1.7584 0.9983 1.0085 0.126 Uiso 1 1 calc R . .
H11B H 1.8587 1.0543 0.9996 0.126 Uiso 1 1 calc R . .
N12 N 1.8421(5) 0.9605(4) 0.9397(3) 0.0685(18) Uani 1 1 d . . .
H12A H 1.8430 0.9235 0.9692 0.082 Uiso 1 1 calc R . .
H12B H 1.9058 0.9780 0.9297 0.082 Uiso 1 1 calc R . .
N1N N 0.2571(4) 0.9691(4) 0.5759(3) 0.0594(15) Uani 1 1 d D . .
O1N O 0.1895(4) 0.9175(3) 0.5560(3) 0.0635(13) Uani 1 1 d D . .
O2N O 0.2858(5) 0.9807(5) 0.6395(3) 0.098(2) Uani 1 1 d D . .
O3N O 0.2961(3) 1.0129(3) 0.5346(3) 0.0596(12) Uani 1 1 d D . .
N2N N 0.4056(4) 0.3633(3) 0.0293(2) 0.0426(11) Uani 1 1 d . . .
O4N O 0.3193(4) 0.3320(3) 0.0301(4) 0.088(2) Uani 1 1 d . . .
O5N O 0.4263(4) 0.4254(3) 0.0081(3) 0.0596(12) Uani 1 1 d . . .
O6N O 0.4744(4) 0.3346(3) 0.0498(3) 0.0643(13) Uani 1 1 d . . .
N3N N 1.7587(11) 0.7437(6) 0.5000(6) 0.051(3) Uani 0.671(13) 1 d PD A 3
O7N O 1.8041(5) 0.7477(4) 0.5567(4) 0.054(2) Uani 0.671(13) 1 d PD A 3
O8N O 1.7404(7) 0.6840(5) 0.4629(6) 0.072(4) Uani 0.671(13) 1 d PD A 3
O9N O 1.7349(8) 0.7992(6) 0.4769(6) 0.065(3) Uani 0.671(13) 1 d PD A 3
N3M N 0.245(3) 0.2763(15) 0.5214(11) 0.051(3) Uani 0.329(13) 1 d PD A 4
O7M O 0.2774(12) 0.2902(10) 0.5795(10) 0.086(8) Uani 0.329(13) 1 d PD A 4
O8M O 0.2121(12) 0.3277(10) 0.4921(9) 0.071(6) Uani 0.329(13) 1 d PD A 4
O9M O 0.244(3) 0.2174(13) 0.4870(17) 0.14(2) Uani 0.329(13) 1 d PD A 4
N4N N 1.1350(16) 0.5040(10) 0.1233(10) 0.046(3) Uani 0.580(13) 1 d PDU B 5
O10N O 1.1953(7) 0.4763(7) 0.1511(9) 0.097(6) Uani 0.580(13) 1 d PDU B 5
O11N O 1.1271(6) 0.5689(4) 0.1411(5) 0.056(3) Uani 0.580(13) 1 d PDU B 5
O12N O 1.0761(11) 0.4761(7) 0.0711(7) 0.096(5) Uani 0.580(13) 1 d PDU B 5
N4M N 1.153(3) 0.497(2) 0.1226(17) 0.068(6) Uani 0.420(13) 1 d PDU B 6
O10M O 1.1900(8) 0.4518(5) 0.0974(6) 0.044(3) Uani 0.420(13) 1 d PDU B 6
O11M O 1.1867(11) 0.5303(7) 0.1814(7) 0.076(5) Uani 0.420(13) 1 d PDU B 6
O12M O 1.0763(14) 0.5154(11) 0.0954(10) 0.090(5) Uani 0.420(13) 1 d PDU B 6
N5N N 1.0221(13) 0.7970(9) -0.0040(8) 0.095(5) Uani 0.467(9) 1 d PDU C 1
O13N O 1.0992(13) 0.7822(7) 0.0072(7) 0.114(6) Uani 0.467(9) 1 d PDU C 1
O14N O 0.954(2) 0.7571(15) 0.0276(14) 0.240(14) Uani 0.467(9) 1 d PDU C 1
O15N O 1.0084(17) 0.8469(9) -0.0410(12) 0.179(12) Uani 0.467(9) 1 d PDU C 1
N6N N 1.1369(16) 0.9268(10) 0.2505(9) 0.069(4) Uani 0.292(8) 1 d PDU D 2
O16N O 1.0885(10) 0.9728(7) 0.2538(7) 0.051(3) Uani 0.292(8) 1 d PDU D 2
O17N O 1.135(2) 0.8934(15) 0.1899(10) 0.118(10) Uani 0.292(8) 1 d PDU D 2
O18N O 1.1807(16) 0.8996(12) 0.3000(9) 0.079(4) Uani 0.292(8) 1 d PDU D 2
N7N N 0.8075(8) 0.6470(7) 0.2038(9) 0.071(4) Uani 0.464(10) 1 d PDU E 1
O19N O 0.8833(19) 0.650(3) 0.233(2) 0.34(2) Uani 0.464(10) 1 d PDU E 1
O20N O 0.800(2) 0.6283(18) 0.1426(11) 0.218(13) Uani 0.464(10) 1 d PDU E 1
O21N O 0.7434(15) 0.6752(12) 0.229(2) 0.245(15) Uani 0.464(10) 1 d PDU E 1
N8N N 1.2214(13) 0.8736(9) 0.2854(8) 0.076(4) Uani 0.396(8) 1 d PDU D 2
O22N O 1.1761(9) 0.8580(8) 0.3293(7) 0.066(3) Uani 0.396(8) 1 d PDU D 2
O23N O 1.2654(15) 0.9394(9) 0.2920(11) 0.117(6) Uani 0.396(8) 1 d PDU D 2
O24N O 1.2456(15) 0.8284(13) 0.2426(10) 0.146(9) Uani 0.396(8) 1 d PDU D 2
N9N N 0.9703(14) 0.9395(11) 0.1446(9) 0.089(6) Uani 0.382(9) 1 d PDU F 1
O25N O 0.9725(10) 0.9913(8) 0.1209(8) 0.075(4) Uani 0.382(9) 1 d PDU F 1
O26N O 0.8854(16) 0.9029(16) 0.1613(17) 0.180(13) Uani 0.382(9) 1 d PDU F 1
O27N O 1.0448(15) 0.9346(18) 0.1831(16) 0.175(12) Uani 0.382(9) 1 d PDU F 1
O1W O 0.1630(3) 0.9904(2) 0.4168(2) 0.0494(10) Uani 1 1 d U G 3
O2W O 0.0866(3) 0.1144(3) 0.4016(2) 0.0523(10) Uani 1 1 d U H 3
O3W O 0.0868(4) 0.8933(3) 0.6819(3) 0.0687(14) Uani 1 1 d U I 3
O4W O 0.4188(5) 0.1892(3) 0.0622(4) 0.0886(19) Uani 1 1 d U J 3
O5W O 0.3348(4) 0.1472(4) 0.6361(4) 0.093(2) Uani 1 1 d U K 3
O6W O 0.7781(7) 0.5776(5) 0.0662(6) 0.062(3) Uani 0.50 1 d PU L 3
O7W O 0.4694(7) 0.9824(5) 0.7196(4) 0.133(3) Uani 1 1 d U M 3
O8W O 0.9482(8) 0.7787(6) 0.2022(4) 0.137(3) Uani 1 1 d U N 3
O9W O 0.965(2) 0.6187(16) 0.115(2) 0.235(15) Uani 0.50 1 d PU O 3
O10W O 0.3802(7) 0.1690(5) 0.7786(5) 0.135(3) Uani 1 1 d U P 3
O11W O 1.3653(8) 0.9163(6) 0.2408(5) 0.063(3) Uani 0.50 1 d PU Q 3
O12W O 1.4267(7) 0.8167(4) 0.1521(7) 0.159(5) Uani 1 1 d U R 3
O13W O 0.6606(9) 0.7230(6) 0.1371(6) 0.079(4) Uani 0.50 1 d PU S 3
O14W O 0.7346(6) 0.7043(6) 0.3149(8) 0.082(4) Uani 0.50 1 d PU T 3
O15W O -0.1680(11) 1.0641(8) 0.1716(8) 0.082(4) Uani 0.50 1 d PU U 3
O16W O 0.7183(14) 0.8516(16) 0.0446(12) 0.111(8) Uani 0.50 1 d PU V 3
O17W O 0.6926(13) -0.0571(6) 0.1478(6) 0.088(4) Uani 0.50 1 d PU W 3
O18W O 0.5827(11) 0.1327(9) 0.0340(11) 0.113(6) Uani 0.50 1 d PU X 3
O19W O 0.9636(9) 0.5856(10) 0.0306(7) 0.103(5) Uani 0.50 1 d PU O 3
O20W O 0.742(2) 0.1722(8) 0.0751(9) 0.174(12) Uani 0.50 1 d PU . 3
O21W O 1.1475(14) 0.7403(7) 0.1731(11) 0.113(6) Uani 0.50 1 d PU Y 3
O22W O 1.123(2) 0.704(4) 0.1317(15) 0.17(2) Uani 0.25 1 d PU Y 3
O23W O 0.569(3) 0.0462(12) 0.1486(7) 0.212(14) Uani 0.50 1 d PU Z 3
O24W O 0.4796(15) 0.0120(11) 0.0552(10) 0.151(8) Uani 0.50 1 d PU A 3
O25W O -0.1257(16) 1.0363(10) 0.1940(9) 0.122(7) Uani 0.50 1 d PU U 3
O26W O 0.9082(16) 0.8585(11) 0.0435(16) 0.186(12) Uani 0.50 1 d PU B 3
O27W O 0.766(2) 0.8354(15) 0.0359(12) 0.162(12) Uani 0.50 1 d PU V 3
O28W O 0.5454(18) 0.1369(11) -0.0195(11) 0.059(6) Uani 0.25 1 d PU X 3
O29W O 1.1139(13) 0.8497(9) -0.0957(9) 0.112(5) Uiso 0.50 1 d P C 3
O30W O 0.652(2) -0.0233(16) 0.1614(16) 0.185(11) Uiso 0.50 1 d P W 3
O31W O 1.2180(12) 0.8378(10) -0.0914(9) 0.089(5) Uiso 0.50 1 d P . 3
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
N17L Pt1 N4 176.93(16) . . ?
N17L Pt1 N1 94.73(16) . . ?
N4 Pt1 N1 83.71(17) . . ?
N17L Pt1 N23L 87.15(15) . . ?
N4 Pt1 N23L 94.40(15) . . ?
N1 Pt1 N23L 178.11(16) . . ?
N8 Pt2 N45L 92.82(17) . . ?
N8 Pt2 N42L 178.68(17) . . ?
N45L Pt2 N42L 88.25(16) . . ?
N8 Pt2 N5 83.83(17) . . ?
N45L Pt2 N5 176.62(17) . . ?
N42L Pt2 N5 95.09(16) . . ?
N1L Pt3 N12 94.5(2) . . ?
N1L Pt3 N9 177.9(2) . . ?
N12 Pt3 N9 83.5(2) . . ?
N1L Pt3 N61L 87.03(17) . . ?
N12 Pt3 N61L 178.2(2) . . ?
N9 Pt3 N61L 95.0(2) . . ?
C6L N1L C2L 118.3(4) . . ?
C6L N1L Pt3 121.0(3) . . ?
C2L N1L Pt3 120.3(4) . . ?
N1L C2L C3L 122.0(5) . . ?
C4L C3L C2L 119.9(5) . . ?
C3L C4L C5L 117.4(5) . . ?
C3L C4L C7L 121.7(4) . . ?
C5L C4L C7L 120.8(5) . . ?
C6L C5L C4L 119.8(5) . . ?
N1L C6L C5L 122.3(5) . . ?
C8L C7L C12L 120.9(4) . . ?
C8L C7L C4L 121.0(4) . . ?
C12L C7L C4L 118.1(4) . . ?
C9L C8L C7L 119.5(4) . . ?
C9L C8L C13L 119.8(4) . . ?
C7L C8L C13L 120.6(4) . . ?
C8L C9L C10L 119.6(4) . . ?
C8L C9L C14L 119.7(4) . . ?
C10L C9L C14L 120.6(4) . . ?
C9L C10L C11L 121.3(4) . . ?
C9L C10L C20L 120.5(4) . . ?
C11L C10L C20L 118.1(4) . . ?
C12L C11L C10L 119.1(4) . . ?
C12L C11L C15L 119.7(4) . . ?
C10L C11L C15L 121.2(4) . . ?
C11L C12L C7L 119.6(4) . . ?
C11L C12L C16L 119.3(4) . . ?
C7L C12L C16L 121.1(4) . . ?
C22L N17L C18L 118.2(4) . . ?
C22L N17L Pt1 119.3(3) . . ?
C18L N17L Pt1 122.2(3) . . ?
N17L C18L C19L 121.9(5) . . ?
C18L C19L C20L 120.8(5) . . ?
C19L C20L C21L 116.5(4) . . ?
C19L C20L C10L 123.3(4) . . ?
C21L C20L C10L 120.2(4) . . ?
C22L C21L C20L 120.4(4) . . ?
N17L C22L C21L 122.0(5) . . ?
C24L N23L C28L 118.8(4) . . ?
C24L N23L Pt1 121.4(3) . . ?
C28L N23L Pt1 119.6(3) . . ?
N23L C24L C25L 121.9(4) . . ?
C26L C25L C24L 119.7(4) . . ?
C27L C26L C25L 117.8(4) . . ?
C27L C26L C29L 120.7(4) . . ?
C25L C26L C29L 121.4(4) . . ?
C28L C27L C26L 119.5(4) . . ?
N23L C28L C27L 122.4(4) . . ?
C30L C29L C34L 121.6(4) . . ?
C30L C29L C26L 120.4(4) . . ?
C34L C29L C26L 118.1(4) . . ?
C29L C30L C31L 118.9(4) . . ?
C29L C30L C35L 121.0(4) . . ?
C31L C30L C35L 120.1(4) . . ?
C32L C31L C30L 119.4(4) . . ?
C32L C31L C36L 121.1(4) . . ?
C30L C31L C36L 119.5(4) . . ?
C31L C32L C33L 121.9(4) . . ?
C31L C32L C39L 121.1(4) . . ?
C33L C32L C39L 117.0(4) . . ?
C32L C33L C34L 118.8(4) . . ?
C32L C33L C37L 121.1(4) . . ?
C34L C33L C37L 120.2(4) . . ?
C33L C34L C29L 119.5(4) . . ?
C33L C34L C38L 121.1(4) . . ?
C29L C34L C38L 119.4(4) . . ?
C40L C39L C44L 116.7(4) . . ?
C40L C39L C32L 121.1(4) . . ?
C44L C39L C32L 121.9(4) . . ?
C41L C40L C39L 120.1(4) . . ?
N42L C41L C40L 122.3(5) . . ?
C43L N42L C41L 118.0(4) . . ?
C43L N42L Pt2 121.6(3) . . ?
C41L N42L Pt2 119.8(3) . . ?
N42L C43L C44L 122.4(4) . . ?
C43L C44L C39L 120.0(5) . . ?
C50L N45L C46L 117.3(5) . . ?
C50L N45L Pt2 122.5(4) . . ?
C46L N45L Pt2 120.2(3) . . ?
N45L C46L C47L 121.6(5) . . ?
C46L C47L C48L 121.5(5) . . ?
C49L C48L C47L 116.1(5) . . ?
C49L C48L C51L 125.1(5) . . ?
C47L C48L C51L 118.8(4) . . ?
C48L C49L C50L 120.3(5) . . ?
N45L C50L C49L 123.1(5) . . ?
C52L C51L C56L 121.5(4) . . ?
C52L C51L C48L 119.8(4) . . ?
C56L C51L C48L 118.3(4) . . ?
C51L C52L C53L 118.8(4) . . ?
C51L C52L C57L 122.1(5) . . ?
C53L C52L C57L 119.1(5) . . ?
C54L C53L C52L 119.7(4) . . ?
C54L C53L C58L 120.6(4) . . ?
C52L C53L C58L 119.7(4) . . ?
C53L C54L C55L 121.3(4) . . ?
C53L C54L C64L 119.1(4) . . ?
C55L C54L C64L 119.3(4) . . ?
C56L C55L C54L 119.0(4) . . ?
C56L C55L C59L 119.1(4) . . ?
C54L C55L C59L 121.8(4) . . ?
C55L C56L C51L 119.6(4) . . ?
C55L C56L C60L 119.2(4) . . ?
C51L C56L C60L 121.2(4) . . ?
C66L N61L C62L 118.4(5) . . ?
C66L N61L Pt3 120.2(4) . . ?
C62L N61L Pt3 121.1(3) . . ?
N61L C62L C63L 122.2(5) . . ?
C62L C63L C64L 120.2(5) . . ?
C65L C64L C63L 116.5(5) . . ?
C65L C64L C54L 119.2(4) . . ?
C63L C64L C54L 124.2(4) . . ?
C66L C65L C64L 120.2(5) . . ?
N61L C66L C65L 122.5(5) . . ?
C2 N1 Pt1 109.4(3) . . ?
N1 C2 C3 108.0(4) . . ?
N4 C3 C2 108.7(4) . . ?
C3 N4 Pt1 109.5(3) . . ?
C6 N5 Pt2 108.7(3) . . ?
N5 C6 C7 109.6(5) . . ?
C6 C7 N8 107.5(5) . . ?
C7 N8 Pt2 109.8(3) . . ?
C10 N9 Pt3 109.0(6) . . ?
C11 C10 N9 111.8(10) . . ?
C10 C11 N12 112.3(8) . . ?
C11 N12 Pt3 110.8(5) . . ?
O1N N1N O3N 121.7(6) . . ?
O1N N1N O2N 120.3(7) . . ?
O3N N1N O2N 117.9(7) . . ?
O4N N2N O6N 121.7(6) . . ?
O4N N2N O5N 120.8(5) . . ?
O6N N2N O5N 117.5(6) . . ?
O7N N3N O9N 119.7(11) . . ?
O7N N3N O8N 120.1(11) . . ?
O9N N3N O8N 120.1(12) . . ?
O7M N3M O9M 125(2) . . ?
O7M N3M O8M 115(2) . . ?
O9M N3M O8M 120(2) . . ?
O10N N4N O11N 121.5(13) . . ?
O10N N4N O12N 125.6(14) . . ?
O11N N4N O12N 112.8(13) . . ?
O10M N4M O12M 123.3(16) . . ?
O10M N4M O11M 121.8(17) . . ?
O12M N4M O11M 114.8(17) . . ?
O13N N5N O15N 122.7(18) . . ?
O13N N5N O14N 112.9(19) . . ?
O15N N5N O14N 124(2) . . ?
O16N N6N O18N 128.7(17) . . ?
O16N N6N O17N 115.8(17) . . ?
O18N N6N O17N 114.9(17) . . ?
O16N N6N N8N 154.2(15) . . ?
O18N N6N N8N 26.5(10) . . ?
O17N N6N N8N 90.0(14) . . ?
N8N O18N O22N 73.7(18) . . ?
N8N O18N N6N 112(2) . . ?
O22N O18N N6N 144(3) . . ?
N8N O18N O23N 68.2(18) . . ?
O22N O18N O23N 120(2) . . ?
N6N O18N O23N 93.6(19) . . ?
O19N N7N O20N 117(2) . . ?
O19N N7N O21N 121(2) . . ?
O20N N7N O21N 120(2) . . ?
O18N N8N O22N 57.9(15) . . ?
O18N N8N O24N 152(3) . . ?
O22N N8N O24N 124.0(19) . . ?
O18N N8N O23N 72(2) . . ?
O22N N8N O23N 112.5(16) . . ?
O24N N8N O23N 121.5(19) . . ?
O18N N8N N6N 41.0(15) . . ?
O22N N8N N6N 92.3(15) . . ?
O24N N8N N6N 115.5(16) . . ?
O23N N8N N6N 73.2(15) . . ?
O18N O22N N8N 48.4(14) . . ?
N8N O23N O18N 39.7(11) . . ?
O25N N9N O27N 116(2) . . ?
O25N N9N O26N 119(2) . . ?
O27N N9N O26N 116.6(18) . . ?
O20W O31W O29W 153(4) 2_765 . ?
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 N17L 2.023(4) . ?
Pt1 N4 2.030(4) . ?
Pt1 N1 2.035(4) . ?
Pt1 N23L 2.035(4) . ?
Pt2 N8 2.024(4) . ?
Pt2 N45L 2.028(4) . ?
Pt2 N42L 2.033(4) . ?
Pt2 N5 2.035(4) . ?
Pt3 N1L 2.020(4) . ?
Pt3 N12 2.025(5) . ?
Pt3 N9 2.026(5) . ?
Pt3 N61L 2.037(4) . ?
N1L C6L 1.337(7) . ?
N1L C2L 1.340(7) . ?
C2L C3L 1.388(7) . ?
C3L C4L 1.372(7) . ?
C4L C5L 1.394(7) . ?
C4L C7L 1.487(6) . ?
C5L C6L 1.375(7) . ?
C7L C8L 1.400(7) . ?
C7L C12L 1.408(7) . ?
C8L C9L 1.392(7) . ?
C8L C13L 1.513(7) . ?
C9L C10L 1.398(6) . ?
C9L C14L 1.512(6) . ?
C10L C11L 1.406(6) . ?
C10L C20L 1.490(6) . ?
C11L C12L 1.394(7) . ?
C11L C15L 1.511(6) . ?
C12L C16L 1.513(7) . ?
N17L C22L 1.341(6) . ?
N17L C18L 1.346(7) . ?
C18L C19L 1.376(7) . ?
C19L C20L 1.384(7) . ?
C20L C21L 1.390(7) . ?
C21L C22L 1.380(7) . ?
N23L C24L 1.338(6) . ?
N23L C28L 1.344(6) . ?
C24L C25L 1.396(6) . ?
C25L C26L 1.391(6) . ?
C26L C27L 1.390(6) . ?
C26L C29L 1.490(6) . ?
C27L C28L 1.389(6) . ?
C29L C30L 1.399(6) . ?
C29L C34L 1.405(6) . ?
C30L C31L 1.409(6) . ?
C30L C35L 1.508(6) . ?
C31L C32L 1.396(6) . ?
C31L C36L 1.510(6) . ?
C32L C33L 1.403(6) . ?
C32L C39L 1.503(6) . ?
C33L C34L 1.404(6) . ?
C33L C37L 1.512(6) . ?
C34L C38L 1.520(6) . ?
C39L C40L 1.388(7) . ?
C39L C44L 1.391(7) . ?
C40L C41L 1.378(7) . ?
C41L N42L 1.343(6) . ?
N42L C43L 1.336(6) . ?
C43L C44L 1.381(7) . ?
N45L C50L 1.327(7) . ?
N45L C46L 1.351(7) . ?
C46L C47L 1.371(8) . ?
C47L C48L 1.378(7) . ?
C48L C49L 1.374(7) . ?
C48L C51L 1.498(7) . ?
C49L C50L 1.379(8) . ?
C51L C52L 1.396(7) . ?
C51L C56L 1.399(6) . ?
C52L C53L 1.405(7) . ?
C52L C57L 1.509(7) . ?
C53L C54L 1.396(7) . ?
C53L C58L 1.522(7) . ?
C54L C55L 1.401(6) . ?
C54L C64L 1.494(6) . ?
C55L C56L 1.399(6) . ?
C55L C59L 1.513(6) . ?
C56L C60L 1.508(7) . ?
N61L C66L 1.330(7) . ?
N61L C62L 1.332(7) . ?
C62L C63L 1.384(7) . ?
C63L C64L 1.391(7) . ?
C64L C65L 1.387(7) . ?
C65L C66L 1.381(7) . ?
N1 C2 1.489(7) . ?
C2 C3 1.496(8) . ?
C3 N4 1.487(6) . ?
N5 C6 1.482(6) . ?
C6 C7 1.486(9) . ?
C7 N8 1.495(7) . ?
N9 C10 1.493(12) . ?
C10 C11 1.419(16) . ?
C11 N12 1.458(10) . ?
N1N O1N 1.233(7) . ?
N1N O3N 1.249(7) . ?
N1N O2N 1.258(7) . ?
N2N O4N 1.231(7) . ?
N2N O6N 1.232(7) . ?
N2N O5N 1.239(7) . ?
N3N O7N 1.214(11) . ?
N3N O9N 1.241(11) . ?
N3N O8N 1.267(11) . ?
N3M O7M 1.174(15) . ?
N3M O9M 1.254(15) . ?
N3M O8M 1.275(15) . ?
N4N O10N 1.176(12) . ?
N4N O11N 1.271(12) . ?
N4N O12N 1.272(12) . ?
N4M O10M 1.172(14) . ?
N4M O12M 1.269(14) . ?
N4M O11M 1.275(14) . ?
N5N O13N 1.163(14) . ?
N5N O15N 1.237(13) . ?
N5N O14N 1.297(14) . ?
N6N O16N 1.189(14) . ?
N6N O18N 1.272(14) . ?
N6N O17N 1.293(14) . ?
N6N N8N 1.79(3) . ?
O18N N8N 0.87(2) . ?
O18N O22N 0.98(2) . ?
O18N O23N 1.29(3) . ?
N7N O19N 1.149(14) . ?
N7N O20N 1.205(14) . ?
N7N O21N 1.233(14) . ?
N8N O22N 1.110(13) . ?
N8N O24N 1.259(13) . ?
N8N O23N 1.259(14) . ?
N9N O25N 1.088(14) . ?
N9N O27N 1.248(15) . ?
N9N O26N 1.316(15) . ?
O9W O19W 1.71(4) . ?
O15W O25W 0.95(2) . ?
O16W O27W 0.80(3) . ?
O17W O30W 0.96(3) . ?
O18W O28W 1.13(2) . ?
O20W O31W 0.68(3) 2_765 ?
O21W O22W 1.02(4) . ?
O29W O31W 1.50(2) . ?
O31W O20W 0.68(3) 2_765 ?
