#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:55:45 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180240 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/26/7112653.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_7112653
loop_
_publ_author_name
'S. Pal'
'P. Y. Zavalij'
'A. N. Vedernikov'
_publ_section_title
;
 Oxidative C(sp3)-H bond cleavage, C-C and C[double bond, length as
 m-dash]C coupling at a boron center with O2 as the oxidant mediated by
 platinum(II)
;
_journal_name_full               Chem.Commun.
_journal_page_first              5376
_journal_paper_doi               10.1039/C3CC47445C
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         '2(C44 H68 B2 N4 Na2 O8 Pt2), (C4 H8 O)'
_chemical_formula_sum            'C23 H36 B N2 Na O4.25 Pt'
_chemical_formula_weight         637.43
_chemical_name_common            Pt-complex
_chemical_name_systematic
;
Pt-complex
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL-2012 & ZCIF'
_cell_angle_alpha                90
_cell_angle_beta                 116.3130(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.5793(11)
_cell_length_b                   17.8585(11)
_cell_length_c                   17.6641(11)
_cell_measurement_reflns_used    17591
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.1
_cell_measurement_theta_min      2.3
_cell_volume                     4970.9(5)
_computing_cell_refinement       Apex2
_computing_data_collection       'Apex2 (Bruker, 2010)'
_computing_data_reduction        Apex2
_computing_molecular_graphics    'XSHEL (Bruker, 2004)'
_computing_publication_material  'Apex2, SHELXL-2012'
_computing_structure_refinement  'ShelXL-2012 (Sheldrick, 2012)'
_computing_structure_solution    'ShelXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 8.333
_diffrn_detector_type            'Bruker Smart Apex II'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'three-circle diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_measurement_specimen_support 'MiTeGen loop'
_diffrn_orient_matrix_type       standard
_diffrn_orient_matrix_UB_11      0.0334971
_diffrn_orient_matrix_UB_12      0.0422037
_diffrn_orient_matrix_UB_13      0.0369331
_diffrn_orient_matrix_UB_21      0.0076854
_diffrn_orient_matrix_UB_22      0.0218001
_diffrn_orient_matrix_UB_23      -0.0483025
_diffrn_orient_matrix_UB_31      -0.0533480
_diffrn_orient_matrix_UB_32      0.0296487
_diffrn_orient_matrix_UB_33      -0.0170694
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0316
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            60095
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_min         2.281
_diffrn_source                   'sealed tube'
_diffrn_source_current           30.00
_diffrn_source_voltage           50.00
_exptl_absorpt_coefficient_mu    5.695
_exptl_absorpt_correction_T_max  0.505
_exptl_absorpt_correction_T_min  0.412
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2528
_exptl_crystal_id                'Vedern-Shrin BBNPtMeOMe_MeOH_OxPdt'
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         3.259
_refine_diff_density_min         -1.654
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     615
_refine_ls_number_reflns         14457
_refine_ls_number_restraints     46
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
w=1/[σ²(Fo²)+(0.0280P)²+11.9000P]
where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0697
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12135
_reflns_number_total             14457
_reflns_threshold_expression     'I > 2σ(I)'
_iucr_refine_instructions_details 'See _shelx_res_file'
_cod_data_source_file            c3cc47445c.txt
_cod_data_source_block           2369
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7112653
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.411
_shelx_estimated_absorpt_t_max   0.548
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Na1 Na 0.29279(9) 0.53575(8) 0.29122(9) 0.0245(3) Uani 1 1 d . . . . .
Pt1 Pt 0.11715(2) 0.45602(2) 0.29237(2) 0.02033(3) Uani 1 1 d . . . . .
O1A O 0.24454(15) 0.44466(14) 0.35017(16) 0.0264(5) Uani 1 1 d . . . . .
C1A C 0.2761(2) 0.4114(3) 0.4301(3) 0.0360(9) Uani 1 1 d . . . . .
H1A1 H 0.2574 0.4401 0.4660 0.054 Uiso 1 1 calc R U . . .
H1A2 H 0.3383 0.4107 0.4557 0.054 Uiso 1 1 calc R U . . .
H1A3 H 0.2549 0.3599 0.4245 0.054 Uiso 1 1 calc R U . . .
O2A O 0.13538(16) 0.55990(13) 0.34261(17) 0.0274(5) Uani 1 1 d . . . . .
C2A C 0.1112(3) 0.5667(2) 0.4092(3) 0.0328(8) Uani 1 1 d . . . . .
H2A1 H 0.0508 0.5550 0.3877 0.049 Uiso 1 1 calc R U . . .
H2A2 H 0.1217 0.6180 0.4310 0.049 Uiso 1 1 calc R U . . .
H2A3 H 0.1446 0.5317 0.4546 0.049 Uiso 1 1 calc R U . . .
N1A N 0.10370(17) 0.35123(16) 0.24512(17) 0.0212(6) Uani 1 1 d . . . . .
C11A C 0.0341(2) 0.30715(18) 0.2282(2) 0.0191(6) Uani 1 1 d . . . . .
C12A C 0.0346(2) 0.23457(19) 0.1984(2) 0.0238(7) Uani 1 1 d . . . . .
H12A H -0.0131 0.2032 0.1859 0.029 Uiso 1 1 calc R U . . .
C13A C 0.1021(2) 0.2070(2) 0.1865(2) 0.0293(8) Uani 1 1 d . . . . .
H13A H 0.1010 0.1573 0.1668 0.035 Uiso 1 1 calc R U . . .
C14A C 0.1710(3) 0.2531(2) 0.2037(3) 0.0347(9) Uani 1 1 d . . . . .
H14A H 0.2180 0.2362 0.1953 0.042 Uiso 1 1 calc R U . . .
C15A C 0.1696(2) 0.3242(2) 0.2333(3) 0.0312(8) Uani 1 1 d . . . . .
H15A H 0.2172 0.3559 0.2460 0.037 Uiso 1 1 calc R U . . .
N2A N -0.00878(18) 0.47600(16) 0.23223(18) 0.0228(6) Uani 1 1 d . . . . .
C21A C -0.0688(2) 0.42293(18) 0.2211(2) 0.0214(6) Uani 1 1 d . . . . .
C22A C -0.1533(2) 0.4469(2) 0.1875(2) 0.0282(8) Uani 1 1 d . . . . .
H22A H -0.1961 0.4115 0.1814 0.034 Uiso 1 1 calc R U . . .
C23A C -0.1769(3) 0.5202(2) 0.1630(3) 0.0341(9) Uani 1 1 d . . . . .
H23A H -0.2346 0.5352 0.1412 0.041 Uiso 1 1 calc R U . . .
C24A C -0.1151(3) 0.5709(2) 0.1706(3) 0.0361(9) Uani 1 1 d . . . . .
H24A H -0.1296 0.6211 0.1518 0.043 Uiso 1 1 calc R U . . .
C25A C -0.0324(2) 0.5477(2) 0.2059(3) 0.0310(8) Uani 1 1 d . . . . .
H25A H 0.0104 0.5831 0.2122 0.037 Uiso 1 1 calc R U . . .
B1A B -0.0470(2) 0.3346(2) 0.2439(2) 0.0183(7) Uani 1 1 d . . . . .
O3A O -0.12342(14) 0.28950(13) 0.18597(15) 0.0215(5) Uani 1 1 d . . . . .
C3A C -0.1507(2) 0.2961(2) 0.0973(2) 0.0292(8) Uani 1 1 d . . . . .
H3A1 H -0.2046 0.2695 0.0669 0.044 Uiso 1 1 calc R U . . .
H3A2 H -0.1077 0.2743 0.0827 0.044 Uiso 1 1 calc R U . . .
H3A3 H -0.1584 0.3491 0.0813 0.044 Uiso 1 1 calc R U . . .
C31A C -0.0325(2) 0.31368(17) 0.3412(2) 0.0182(6) Uani 1 1 d . . . . .
C32A C -0.0227(2) 0.2281(2) 0.3576(2) 0.0282(7) Uani 1 1 d . . . . .
H32A H -0.0779 0.2053 0.3467 0.034 Uiso 1 1 calc R U . . .
H32B H -0.0013 0.2039 0.3204 0.034 Uiso 1 1 calc R U . . .
C33A C 0.0404(3) 0.2187(2) 0.4495(3) 0.0383(9) Uani 1 1 d . . . . .
H33A H 0.0669 0.1685 0.4603 0.046 Uiso 1 1 calc R U . . .
H33B H 0.0132 0.2269 0.4874 0.046 Uiso 1 1 calc R U . . .
C34A C 0.1051(2) 0.2803(3) 0.4603(3) 0.0396(10) Uani 1 1 d . . . . .
H34A H 0.1420 0.2657 0.4336 0.048 Uiso 1 1 calc R U . . .
H34B H 0.1410 0.2912 0.5208 0.048 Uiso 1 1 calc R U . . .
C35A C 0.0492(2) 0.3484(2) 0.4149(2) 0.0274(7) Uani 1 1 d . . . . .
H35A H 0.0795 0.3814 0.3913 0.033 Uiso 1 1 calc R U . . .
C36A C 0.0183(3) 0.3941(2) 0.4690(2) 0.0358(9) Uani 1 1 d . . . . .
H36A H 0.0180 0.3633 0.5155 0.043 Uiso 1 1 calc R U . . .
H36B H 0.0549 0.4384 0.4935 0.043 Uiso 1 1 calc R U . . .
C37A C -0.0706(3) 0.4176(2) 0.4087(3) 0.0369(9) Uani 1 1 d . . . . .
H37A H -0.0702 0.4588 0.3714 0.044 Uiso 1 1 calc R U . . .
H37B H -0.1036 0.4331 0.4392 0.044 Uiso 1 1 calc R U . . .
C38A C -0.1058(2) 0.3443(2) 0.3585(2) 0.0290(8) Uani 1 1 d . . . . .
H38A H -0.1568 0.3546 0.3048 0.035 Uiso 1 1 calc R U . . .
H38B H -0.1210 0.3081 0.3920 0.035 Uiso 1 1 calc R U . . .
Na2 Na 0.76639(9) 0.23432(8) 0.20471(9) 0.0268(3) Uani 1 1 d . . . . .
Pt2 Pt 0.60221(2) 0.32020(2) 0.24970(2) 0.02595(4) Uani 1 1 d . . . . .
O1B O 0.5899(2) 0.21173(16) 0.21396(19) 0.0433(8) Uani 1 1 d . . . . .
C1B C 0.5381(3) 0.1992(2) 0.1285(3) 0.0416(10) Uani 1 1 d . . . . .
H1B1 H 0.4796 0.2131 0.1150 0.062 Uiso 1 1 calc R U . . .
H1B2 H 0.5402 0.1460 0.1156 0.062 Uiso 1 1 calc R U . . .
H1B3 H 0.5581 0.2295 0.0946 0.062 Uiso 1 1 calc R U . . .
O2B O 0.67717(16) 0.33139(17) 0.19103(17) 0.0342(6) Uani 1 1 d . . . . .
C2B C 0.6393(2) 0.3722(3) 0.1151(3) 0.0360(9) Uani 1 1 d . . . . .
H2B1 H 0.5841 0.3501 0.0785 0.054 Uiso 1 1 calc R U . . .
H2B2 H 0.6760 0.3705 0.0866 0.054 Uiso 1 1 calc R U . . .
H2B3 H 0.6315 0.4243 0.1275 0.054 Uiso 1 1 calc R U . . .
N1B N 0.5264(2) 0.30098(16) 0.30555(19) 0.0262(6) Uani 1 1 d . . . . .
C11B C 0.4678(2) 0.35189(19) 0.3043(2) 0.0225(7) Uani 1 1 d . . . . .
C12B C 0.4127(3) 0.3294(2) 0.3386(2) 0.0292(8) Uani 1 1 d . . . . .
H12B H 0.3714 0.3638 0.3383 0.035 Uiso 1 1 calc R U . . .
C13B C 0.4170(3) 0.2588(2) 0.3726(3) 0.0399(10) Uani 1 1 d . . . . .
H13B H 0.3788 0.2445 0.3947 0.048 Uiso 1 1 calc R U . . .
C14B C 0.4782(3) 0.2097(2) 0.3735(3) 0.0449(11) Uani 1 1 d . . . . .
H14B H 0.4834 0.1611 0.3972 0.054 Uiso 1 1 calc R U . . .
C15B C 0.5309(3) 0.2322(2) 0.3400(3) 0.0382(9) Uani 1 1 d . . . . .
H15B H 0.5728 0.1981 0.3408 0.046 Uiso 1 1 calc R U . . .
N2B N 0.61805(18) 0.42822(18) 0.28518(19) 0.0253(6) Uani 1 1 d . . . . .
C21B C 0.5536(2) 0.47113(19) 0.2849(2) 0.0218(7) Uani 1 1 d . . . . .
C22B C 0.5695(2) 0.5479(2) 0.3019(2) 0.0288(8) Uani 1 1 d . . . . .
H22B H 0.5253 0.5792 0.3007 0.035 Uiso 1 1 calc R U . . .
C23B C 0.6476(3) 0.5792(3) 0.3205(3) 0.0417(10) Uani 1 1 d . . . . .
H23B H 0.6570 0.6313 0.3313 0.050 Uiso 1 1 calc R U . . .
C24B C 0.7119(3) 0.5332(3) 0.3229(3) 0.0491(12) Uani 1 1 d . . . . .
H24B H 0.7669 0.5528 0.3375 0.059 Uiso 1 1 calc R U . . .
C25B C 0.6950(2) 0.4591(3) 0.3040(3) 0.0401(10) Uani 1 1 d . . . . .
H25B H 0.7387 0.4279 0.3040 0.048 Uiso 1 1 calc R U . . .
B1B B 0.4601(2) 0.4366(2) 0.2658(2) 0.0188(7) Uani 1 1 d . . . . .
O3B O 0.42348(14) 0.48629(13) 0.31105(14) 0.0209(5) Uani 1 1 d . . . . .
C3B C 0.4698(2) 0.4917(2) 0.4001(2) 0.0256(7) Uani 1 1 d . . . . .
H3B1 H 0.4808 0.4414 0.4247 0.038 Uiso 1 1 calc R U . . .
H3B2 H 0.4369 0.5204 0.4226 0.038 Uiso 1 1 calc R U . . .
H3B3 H 0.5239 0.5172 0.4144 0.038 Uiso 1 1 calc R U . . .
C31B C 0.3914(2) 0.44108(19) 0.1644(2) 0.0200(6) Uani 1 1 d . . . . .
C32B C 0.3000(2) 0.4268(3) 0.1525(2) 0.0367(9) Uani 1 1 d . . . . .
H32C H 0.3011 0.3999 0.2020 0.044 Uiso 1 1 calc R U . . .
H32D H 0.2696 0.4748 0.1462 0.044 Uiso 1 1 calc R U . . .
C33B C 0.2559(3) 0.3795(3) 0.0732(3) 0.0484(12) Uani 1 1 d . . . . .
H33C H 0.2342 0.4109 0.0217 0.058 Uiso 1 1 calc R U . . .
H33D H 0.2085 0.3503 0.0742 0.058 Uiso 1 1 calc R U . . .
C34B C 0.3278(3) 0.3282(3) 0.0782(3) 0.0531(13) Uani 1 1 d . . . . .
H34C H 0.3142 0.3053 0.0226 0.064 Uiso 1 1 calc R U . . .
H34D H 0.3390 0.2880 0.1203 0.064 Uiso 1 1 calc R U . . .
C35B C 0.4044(2) 0.3817(2) 0.1054(2) 0.0323(8) Uani 1 1 d . . . . .
H35B H 0.4583 0.3534 0.1379 0.039 Uiso 1 1 calc R U . . .
C36B C 0.4097(3) 0.4247(3) 0.0338(3) 0.0445(11) Uani 1 1 d . . . . .
H36C H 0.4480 0.3993 0.0145 0.053 Uiso 1 1 calc R U . . .
H36D H 0.3530 0.4300 -0.0146 0.053 Uiso 1 1 calc R U . . .
C37B C 0.4443(3) 0.4988(3) 0.0715(3) 0.0448(11) Uani 1 1 d . . . . .
H37C H 0.4337 0.5369 0.0272 0.054 Uiso 1 1 calc R U . . .
H37D H 0.5061 0.4960 0.1088 0.054 Uiso 1 1 calc R U . . .
C38B C 0.3948(3) 0.5164(2) 0.1219(3) 0.0343(9) Uani 1 1 d . . . . .
H38C H 0.3369 0.5342 0.0842 0.041 Uiso 1 1 calc R U . . .
H38D H 0.4242 0.5553 0.1650 0.041 Uiso 1 1 calc R U . . .
C1M C 0.7651(3) 0.1616(3) 0.3773(3) 0.0421(10) Uani 1 1 d . . . . .
H1M1 H 0.7324 0.1326 0.3999 0.063 Uiso 1 1 calc R U . . .
H1M2 H 0.7594 0.2151 0.3860 0.063 Uiso 1 1 calc R U . . .
H1M3 H 0.8251 0.1472 0.4067 0.063 Uiso 1 1 calc R U . . .
O1M O 0.73376(18) 0.14689(15) 0.28921(17) 0.0318(6) Uani 1 1 d . . . . .
H1M H 0.6815 0.1562 0.2646 0.038 Uiso 1 1 calc R U . . .
C2M C 0.3237(3) 0.6283(3) 0.4764(3) 0.0376(9) Uani 1 1 d . . . . .
H2M1 H 0.3803 0.6491 0.4922 0.056 Uiso 1 1 calc R U . . .
H2M2 H 0.3290 0.5765 0.4963 0.056 Uiso 1 1 calc R U . . .
H2M3 H 0.2946 0.6582 0.5021 0.056 Uiso 1 1 calc R U . . .
O2M O 0.27604(16) 0.62984(14) 0.38709(15) 0.0259(5) Uani 1 1 d . . . . .
H2M H 0.2322 0.6035 0.3728 0.031 Uiso 1 1 calc R U . . .
O1S O 0.9361(8) 0.4445(8) -0.0454(7) 0.120(4) Uani 0.5 1 d D U P A -1
C1S C 0.9836(10) 0.4467(8) 0.0365(8) 0.060(2) Uani 0.5 1 d D U P A -1
H1S1 H 0.9964 0.3950 0.0589 0.072 Uiso 0.5 1 calc R U P A -1
H1S2 H 0.9524 0.4723 0.0639 0.072 Uiso 0.5 1 calc R U P A -1
C2S C 1.0651(10) 0.4876(10) 0.0571(12) 0.067(2) Uani 0.5 1 d D U P A -1
H2S1 H 1.1102 0.4535 0.0585 0.080 Uiso 0.5 1 calc R U P A -1
H2S2 H 1.0855 0.5151 0.1112 0.080 Uiso 0.5 1 calc R U P A -1
C3S C 1.0343(13) 0.5401(11) -0.0182(13) 0.107(2) Uani 0.5 1 d D U P A -1
H3S1 H 1.0383 0.5933 -0.0007 0.128 Uiso 0.5 1 calc R U P A -1
H3S2 H 1.0657 0.5328 -0.0523 0.128 Uiso 0.5 1 calc R U P A -1
C4S C 0.9435(12) 0.5147(14) -0.0646(14) 0.094(2) Uani 0.5 1 d D U P A -1
H4S1 H 0.9069 0.5472 -0.0491 0.113 Uiso 0.5 1 calc R U P A -1
H4S2 H 0.9244 0.5192 -0.1262 0.113 Uiso 0.5 1 calc R U P A -1
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'
B B 0.0013 0.0007 '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'
Na Na 0.0362 0.0249 '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
O1A Na1 O3B 101.60(10) . .
O1A Na1 O1M 148.91(11) . 2_655
O3B Na1 O1M 109.05(10) . 2_655
O1A Na1 O2M 89.47(10) . .
O3B Na1 O2M 123.82(10) . .
O1M Na1 O2M 77.94(9) 2_655 .
O1A Na1 C3B 90.61(11) . .
O3B Na1 C3B 28.20(8) . .
O1M Na1 C3B 119.07(11) 2_655 .
O2M Na1 C3B 98.34(10) . .
O1A Na1 Pt1 34.97(6) . .
O3B Na1 Pt1 132.36(8) . .
O1M Na1 Pt1 114.60(8) 2_655 .
O2M Na1 Pt1 84.12(7) . .
C3B Na1 Pt1 125.57(9) . .
O1A Na1 Na2 120.51(8) . 2_655
O3B Na1 Na2 128.63(8) . 2_655
O1M Na1 Na2 39.26(7) 2_655 2_655
O2M Na1 Na2 39.04(6) . 2_655
C3B Na1 Na2 117.83(9) . 2_655
Pt1 Na1 Na2 97.86(4) . 2_655
N2A Pt1 O1A 175.32(11) . .
N2A Pt1 N1A 92.65(11) . .
O1A Pt1 N1A 90.93(11) . .
N2A Pt1 O2A 89.55(11) . .
O1A Pt1 O2A 86.88(10) . .
N1A Pt1 O2A 177.77(11) . .
N2A Pt1 Na1 135.09(8) . .
O1A Pt1 Na1 40.52(7) . .
N1A Pt1 Na1 108.96(8) . .
O2A Pt1 Na1 69.59(8) . .
C1A O1A Pt1 114.1(2) . .
C1A O1A Na1 134.4(2) . .
Pt1 O1A Na1 104.51(11) . .
O1A C1A H1A1 109.5 . .
O1A C1A H1A2 109.5 . .
H1A1 C1A H1A2 109.5 . .
O1A C1A H1A3 109.5 . .
H1A1 C1A H1A3 109.5 . .
H1A2 C1A H1A3 109.5 . .
C2A O2A Pt1 113.2(2) . .
O2A C2A H2A1 109.5 . .
O2A C2A H2A2 109.5 . .
H2A1 C2A H2A2 109.5 . .
O2A C2A H2A3 109.5 . .
H2A1 C2A H2A3 109.5 . .
H2A2 C2A H2A3 109.5 . .
C15A N1A C11A 120.2(3) . .
C15A N1A Pt1 116.3(2) . .
C11A N1A Pt1 123.5(2) . .
N1A C11A C12A 117.4(3) . .
N1A C11A B1A 123.2(3) . .
C12A C11A B1A 119.3(3) . .
C13A C12A C11A 122.3(3) . .
C13A C12A H12A 118.8 . .
C11A C12A H12A 118.8 . .
C14A C13A C12A 118.8(3) . .
C14A C13A H13A 120.6 . .
C12A C13A H13A 120.6 . .
C15A C14A C13A 118.1(3) . .
C15A C14A H14A 121.0 . .
C13A C14A H14A 121.0 . .
N1A C15A C14A 123.2(3) . .
N1A C15A H15A 118.4 . .
C14A C15A H15A 118.4 . .
C25A N2A C21A 120.2(3) . .
C25A N2A Pt1 116.3(2) . .
C21A N2A Pt1 123.4(2) . .
N2A C21A C22A 117.1(3) . .
N2A C21A B1A 123.6(3) . .
C22A C21A B1A 119.3(3) . .
C23A C22A C21A 122.3(3) . .
C23A C22A H22A 118.8 . .
C21A C22A H22A 118.8 . .
C24A C23A C22A 118.7(4) . .
C24A C23A H23A 120.7 . .
C22A C23A H23A 120.7 . .
C25A C24A C23A 118.7(4) . .
C25A C24A H24A 120.7 . .
C23A C24A H24A 120.7 . .
N2A C25A C24A 122.8(4) . .
N2A C25A H25A 118.6 . .
C24A C25A H25A 118.6 . .
O3A B1A C21A 107.9(3) . .
O3A B1A C11A 107.7(3) . .
C21A B1A C11A 112.0(3) . .
O3A B1A C31A 105.2(2) . .
C21A B1A C31A 112.6(3) . .
C11A B1A C31A 111.1(3) . .
C3A O3A B1A 117.7(3) . .
C3A O3A Na2 107.25(19) . 1_455
B1A O3A Na2 132.6(2) . 1_455
O3A C3A Na2 46.38(15) . 1_455
O3A C3A H3A1 109.5 . .
Na2 C3A H3A1 63.5 1_455 .
O3A C3A H3A2 109.5 . .
Na2 C3A H3A2 130.7 1_455 .
H3A1 C3A H3A2 109.5 . .
O3A C3A H3A3 109.5 . .
Na2 C3A H3A3 118.9 1_455 .
H3A1 C3A H3A3 109.5 . .
H3A2 C3A H3A3 109.5 . .
C32A C31A C38A 110.2(3) . .
C32A C31A C35A 104.4(3) . .
C38A C31A C35A 103.4(3) . .
C32A C31A B1A 111.6(3) . .
C38A C31A B1A 111.3(3) . .
C35A C31A B1A 115.5(3) . .
C33A C32A C31A 106.1(3) . .
C33A C32A H32A 110.5 . .
C31A C32A H32A 110.5 . .
C33A C32A H32B 110.5 . .
C31A C32A H32B 110.5 . .
H32A C32A H32B 108.7 . .
C32A C33A C34A 101.7(3) . .
C32A C33A H33A 111.4 . .
C34A C33A H33A 111.4 . .
C32A C33A H33B 111.4 . .
C34A C33A H33B 111.4 . .
H33A C33A H33B 109.3 . .
C33A C34A C35A 103.5(3) . .
C33A C34A H34A 111.1 . .
C35A C34A H34A 111.1 . .
C33A C34A H34B 111.1 . .
C35A C34A H34B 111.1 . .
H34A C34A H34B 109.0 . .
C36A C35A C34A 114.6(3) . .
C36A C35A C31A 106.2(3) . .
C34A C35A C31A 104.8(3) . .
C36A C35A H35A 110.3 . .
C34A C35A H35A 110.3 . .
C31A C35A H35A 110.3 . .
C37A C36A C35A 104.5(3) . .
C37A C36A H36A 110.9 . .
C35A C36A H36A 110.9 . .
C37A C36A H36B 110.9 . .
C35A C36A H36B 110.9 . .
H36A C36A H36B 108.9 . .
C36A C37A C38A 101.3(3) . .
C36A C37A H37A 111.5 . .
C38A C37A H37A 111.5 . .
C36A C37A H37B 111.5 . .
C38A C37A H37B 111.5 . .
H37A C37A H37B 109.3 . .
C37A C38A C31A 104.8(3) . .
C37A C38A H38A 110.8 . .
C31A C38A H38A 110.8 . .
C37A C38A H38B 110.8 . .
C31A C38A H38B 110.8 . .
H38A C38A H38B 108.9 . .
O2B Na2 O3A 103.91(11) . 1_655
O2B Na2 O2M 122.31(11) . 2_645
O3A Na2 O2M 105.45(10) 1_655 2_645
O2B Na2 O1M 102.59(11) . .
O3A Na2 O1M 144.00(11) 1_655 .
O2M Na2 O1M 79.83(10) 2_645 .
O2B Na2 C3A 98.89(12) . 1_655
O3A Na2 C3A 26.37(9) 1_655 1_655
O2M Na2 C3A 87.23(10) 2_645 1_655
O1M Na2 C3A 158.45(12) . 1_655
O2B Na2 Pt2 29.57(8) . .
O3A Na2 Pt2 129.91(8) 1_655 .
O2M Na2 Pt2 116.15(8) 2_645 .
O1M Na2 Pt2 73.02(7) . .
C3A Na2 Pt2 128.45(9) 1_655 .
O2B Na2 Na1 122.98(9) . 2_645
O3A Na2 Na1 131.88(8) 1_655 2_645
O2M Na2 Na1 41.62(7) 2_645 2_645
O1M Na2 Na1 38.59(7) . 2_645
C3A Na2 Na1 124.84(9) 1_655 2_645
Pt2 Na2 Na1 98.15(4) . 2_645
N1B Pt2 N2B 92.36(12) . .
N1B Pt2 O2B 175.73(12) . .
N2B Pt2 O2B 91.91(12) . .
N1B Pt2 O1B 89.27(13) . .
N2B Pt2 O1B 178.18(13) . .
O2B Pt2 O1B 86.46(13) . .
N1B Pt2 Na2 142.70(8) . .
N2B Pt2 Na2 117.21(8) . .
O2B Pt2 Na2 33.91(8) . .
O1B Pt2 Na2 60.97(10) . .
C1B O1B Pt2 114.9(2) . .
O1B C1B H1B1 109.5 . .
O1B C1B H1B2 109.5 . .
H1B1 C1B H1B2 109.5 . .
O1B C1B H1B3 109.5 . .
H1B1 C1B H1B3 109.5 . .
H1B2 C1B H1B3 109.5 . .
C2B O2B Pt2 113.6(2) . .
C2B O2B Na2 120.5(2) . .
Pt2 O2B Na2 116.52(14) . .
O2B C2B H2B1 109.5 . .
O2B C2B H2B2 109.5 . .
H2B1 C2B H2B2 109.5 . .
O2B C2B H2B3 109.5 . .
H2B1 C2B H2B3 109.5 . .
H2B2 C2B H2B3 109.5 . .
C15B N1B C11B 120.2(3) . .
C15B N1B Pt2 117.0(3) . .
C11B N1B Pt2 122.6(2) . .
N1B C11B C12B 117.4(3) . .
N1B C11B B1B 122.9(3) . .
C12B C11B B1B 119.7(3) . .
C13B C12B C11B 122.1(4) . .
C13B C12B H12B 119.0 . .
C11B C12B H12B 119.0 . .
C14B C13B C12B 118.4(4) . .
C14B C13B H13B 120.8 . .
C12B C13B H13B 120.8 . .
C15B C14B C13B 118.8(4) . .
C15B C14B H14B 120.6 . .
C13B C14B H14B 120.6 . .
N1B C15B C14B 123.0(4) . .
N1B C15B H15B 118.5 . .
C14B C15B H15B 118.5 . .
C25B N2B C21B 120.5(3) . .
C25B N2B Pt2 116.8(3) . .
C21B N2B Pt2 122.5(2) . .
N2B C21B C22B 117.5(3) . .
N2B C21B B1B 122.9(3) . .
C22B C21B B1B 119.7(3) . .
C23B C22B C21B 121.9(4) . .
C23B C22B H22B 119.1 . .
C21B C22B H22B 119.1 . .
C22B C23B C24B 118.7(4) . .
C22B C23B H23B 120.6 . .
C24B C23B H23B 120.6 . .
C25B C24B C23B 118.8(4) . .
C25B C24B H24B 120.6 . .
C23B C24B H24B 120.6 . .
N2B C25B C24B 122.7(4) . .
N2B C25B H25B 118.7 . .
C24B C25B H25B 118.7 . .
O3B B1B C11B 107.4(3) . .
O3B B1B C21B 107.0(3) . .
C11B B1B C21B 111.7(3) . .
O3B B1B C31B 105.3(2) . .
C11B B1B C31B 112.3(3) . .
C21B B1B C31B 112.7(3) . .
C3B O3B B1B 117.1(2) . .
C3B O3B Na1 100.60(19) . .
B1B O3B Na1 139.55(19) . .
O3B C3B Na1 51.20(15) . .
O3B C3B H3B1 109.5 . .
Na1 C3B H3B1 118.5 . .
O3B C3B H3B2 109.5 . .
Na1 C3B H3B2 58.8 . .
H3B1 C3B H3B2 109.5 . .
O3B C3B H3B3 109.5 . .
Na1 C3B H3B3 131.8 . .
H3B1 C3B H3B3 109.5 . .
H3B2 C3B H3B3 109.5 . .
C32B C31B C38B 109.8(3) . .
C32B C31B C35B 104.3(3) . .
C38B C31B C35B 102.4(3) . .
C32B C31B B1B 110.7(3) . .
C38B C31B B1B 113.4(3) . .
C35B C31B B1B 115.6(3) . .
C33B C32B C31B 106.9(3) . .
C33B C32B H32C 110.3 . .
C31B C32B H32C 110.3 . .
C33B C32B H32D 110.3 . .
C31B C32B H32D 110.3 . .
H32C C32B H32D 108.6 . .
C32B C33B C34B 102.1(3) . .
C32B C33B H33C 111.4 . .
C34B C33B H33C 111.4 . .
C32B C33B H33D 111.4 . .
C34B C33B H33D 111.4 . .
H33C C33B H33D 109.2 . .
C33B C34B C35B 103.4(4) . .
C33B C34B H34C 111.1 . .
C35B C34B H34C 111.1 . .
C33B C34B H34D 111.1 . .
C35B C34B H34D 111.1 . .
H34C C34B H34D 109.1 . .
C36B C35B C34B 114.8(4) . .
C36B C35B C31B 107.0(3) . .
C34B C35B C31B 105.1(3) . .
C36B C35B H35B 109.9 . .
C34B C35B H35B 109.9 . .
C31B C35B H35B 109.9 . .
C37B C36B C35B 104.0(3) . .
C37B C36B H36C 111.0 . .
C35B C36B H36C 111.0 . .
C37B C36B H36D 111.0 . .
C35B C36B H36D 111.0 . .
H36C C36B H36D 109.0 . .
C36B C37B C38B 102.6(4) . .
C36B C37B H37C 111.2 . .
C38B C37B H37C 111.2 . .
C36B C37B H37D 111.2 . .
C38B C37B H37D 111.2 . .
H37C C37B H37D 109.2 . .
C37B C38B C31B 105.0(3) . .
C37B C38B H38C 110.8 . .
C31B C38B H38C 110.8 . .
C37B C38B H38D 110.8 . .
C31B C38B H38D 110.8 . .
H38C C38B H38D 108.8 . .
O1M C1M H1M1 109.5 . .
O1M C1M H1M2 109.5 . .
H1M1 C1M H1M2 109.5 . .
O1M C1M H1M3 109.5 . .
H1M1 C1M H1M3 109.5 . .
H1M2 C1M H1M3 109.5 . .
C1M O1M Na1 133.5(3) . 2_645
C1M O1M Na2 118.4(2) . .
Na1 O1M Na2 102.15(11) 2_645 .
C1M O1M H1M 109.5 . .
Na1 O1M H1M 88.6 2_645 .
Na2 O1M H1M 93.3 . .
O2M C2M H2M1 109.5 . .
O2M C2M H2M2 109.5 . .
H2M1 C2M H2M2 109.5 . .
O2M C2M H2M3 109.5 . .
H2M1 C2M H2M3 109.5 . .
H2M2 C2M H2M3 109.5 . .
C2M O2M Na2 128.9(2) . 2_655
C2M O2M Na1 123.5(2) . .
Na2 O2M Na1 99.34(10) 2_655 .
C2M O2M H2M 109.5 . .
Na2 O2M H2M 105.5 2_655 .
Na1 O2M H2M 77.7 . .
C1S O1S C4S 99.6(16) . .
O1S C1S C2S 110.8(12) . .
C1S C2S C3S 99.0(6) . .
C4S C3S C2S 99.9(7) . .
O1S C4S C3S 110.4(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Na1 O1A 2.288(3) .
Na1 O3B 2.338(3) .
Na1 O1M 2.364(3) 2_655
Na1 O2M 2.494(3) .
Na1 C3B 2.949(4) .
Na1 Pt1 3.4085(14) .
Na1 Na2 3.705(2) 2_655
Pt1 N2A 2.018(3) .
Pt1 O1A 2.018(2) .
Pt1 N1A 2.020(3) .
Pt1 O2A 2.020(2) .
O1A C1A 1.400(5) .
C1A H1A1 0.9800 .
C1A H1A2 0.9800 .
C1A H1A3 0.9800 .
O2A C2A 1.421(5) .
C2A H2A1 0.9800 .
C2A H2A2 0.9800 .
C2A H2A3 0.9800 .
N1A C15A 1.353(4) .
N1A C11A 1.372(4) .
C11A C12A 1.400(5) .
C11A B1A 1.644(5) .
C12A C13A 1.384(5) .
C12A H12A 0.9500 .
C13A C14A 1.384(5) .
C13A H13A 0.9500 .
C14A C15A 1.379(5) .
C14A H14A 0.9500 .
C15A H15A 0.9500 .
N2A C25A 1.364(4) .
N2A C21A 1.366(4) .
C21A C22A 1.401(5) .
C21A B1A 1.630(5) .
C22A C23A 1.384(5) .
C22A H22A 0.9500 .
C23A C24A 1.373(6) .
C23A H23A 0.9500 .
C24A C25A 1.368(5) .
C24A H24A 0.9500 .
C25A H25A 0.9500 .
B1A O3A 1.511(4) .
B1A C31A 1.665(5) .
O3A C3A 1.426(4) .
O3A Na2 2.324(3) 1_455
C3A Na2 3.066(4) 1_455
C3A H3A1 0.9800 .
C3A H3A2 0.9800 .
C3A H3A3 0.9800 .
C31A C32A 1.550(5) .
C31A C38A 1.551(5) .
C31A C35A 1.576(5) .
C32A C33A 1.516(6) .
C32A H32A 0.9900 .
C32A H32B 0.9900 .
C33A C34A 1.532(6) .
C33A H33A 0.9900 .
C33A H33B 0.9900 .
C34A C35A 1.546(5) .
C34A H34A 0.9900 .
C34A H34B 0.9900 .
C35A C36A 1.530(5) .
C35A H35A 1.0000 .
C36A C37A 1.509(6) .
C36A H36A 0.9900 .
C36A H36B 0.9900 .
C37A C38A 1.548(6) .
C37A H37A 0.9900 .
C37A H37B 0.9900 .
C38A H38A 0.9900 .
C38A H38B 0.9900 .
Na2 O2B 2.278(3) .
Na2 O3A 2.324(3) 1_655
Na2 O2M 2.365(3) 2_645
Na2 O1M 2.399(3) .
Na2 C3A 3.066(4) 1_655
Na2 Pt2 3.6534(14) .
Na2 Na1 3.705(2) 2_645
Pt2 N1B 2.009(3) .
Pt2 N2B 2.009(3) .
Pt2 O2B 2.015(3) .
Pt2 O1B 2.019(3) .
O1B C1B 1.393(5) .
C1B H1B1 0.9800 .
C1B H1B2 0.9800 .
C1B H1B3 0.9800 .
O2B C2B 1.407(5) .
C2B H2B1 0.9800 .
C2B H2B2 0.9800 .
C2B H2B3 0.9800 .
N1B C15B 1.358(5) .
N1B C11B 1.367(4) .
C11B C12B 1.408(5) .
C11B B1B 1.639(5) .
C12B C13B 1.384(5) .
C12B H12B 0.9500 .
C13B C14B 1.383(7) .
C13B H13B 0.9500 .
C14B C15B 1.363(6) .
C14B H14B 0.9500 .
C15B H15B 0.9500 .
N2B C25B 1.358(5) .
N2B C21B 1.366(4) .
C21B C22B 1.406(5) .
C21B B1B 1.645(5) .
C22B C23B 1.381(5) .
C22B H22B 0.9500 .
C23B C24B 1.383(6) .
C23B H23B 0.9500 .
C24B C25B 1.365(6) .
C24B H24B 0.9500 .
C25B H25B 0.9500 .
B1B O3B 1.515(4) .
B1B C31B 1.660(5) .
O3B C3B 1.418(4) .
C3B H3B1 0.9800 .
C3B H3B2 0.9800 .
C3B H3B3 0.9800 .
C31B C32B 1.546(5) .
C31B C38B 1.555(5) .
C31B C35B 1.573(5) .
C32B C33B 1.521(6) .
C32B H32C 0.9900 .
C32B H32D 0.9900 .
C33B C34B 1.531(7) .
C33B H33C 0.9900 .
C33B H33D 0.9900 .
C34B C35B 1.543(6) .
C34B H34C 0.9900 .
C34B H34D 0.9900 .
C35B C36B 1.517(6) .
C35B H35B 1.0000 .
C36B C37B 1.485(7) .
C36B H36C 0.9900 .
C36B H36D 0.9900 .
C37B C38B 1.528(6) .
C37B H37C 0.9900 .
C37B H37D 0.9900 .
C38B H38C 0.9900 .
C38B H38D 0.9900 .
C1M O1M 1.427(5) .
C1M H1M1 0.9800 .
C1M H1M2 0.9800 .
C1M H1M3 0.9800 .
O1M Na1 2.364(3) 2_645
O1M H1M 0.8400 .
C2M O2M 1.421(5) .
C2M H2M1 0.9800 .
C2M H2M2 0.9800 .
C2M H2M3 0.9800 .
O2M Na2 2.365(3) 2_655
O2M H2M 0.8400 .
O1S C1S 1.311(16) .
O1S C4S 1.322(17) .
C1S C2S 1.502(9) .
C2S C3S 1.518(10) .
C3S C4S 1.504(9) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1M H1M O1B 0.84 1.76 2.554(4) 157
O2M H2M O2A 0.84 1.73 2.563(3) 173
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
C15A N1A C11A C12A -0.2(5) .
Pt1 N1A C11A C12A -177.8(2) .
C15A N1A C11A B1A 177.9(3) .
Pt1 N1A C11A B1A 0.4(4) .
N1A C11A C12A C13A 0.4(5) .
B1A C11A C12A C13A -177.8(3) .
C11A C12A C13A C14A -0.8(6) .
C12A C13A C14A C15A 1.0(6) .
C11A N1A C15A C14A 0.5(6) .
Pt1 N1A C15A C14A 178.2(3) .
C13A C14A C15A N1A -0.9(6) .
C25A N2A C21A C22A -4.3(5) .
Pt1 N2A C21A C22A 172.4(3) .
C25A N2A C21A B1A 175.1(3) .
Pt1 N2A C21A B1A -8.3(5) .
N2A C21A C22A C23A 2.6(6) .
B1A C21A C22A C23A -176.8(3) .
C21A C22A C23A C24A 1.1(6) .
C22A C23A C24A C25A -3.0(6) .
C21A N2A C25A C24A 2.5(6) .
Pt1 N2A C25A C24A -174.4(3) .
C23A C24A C25A N2A 1.3(7) .
N2A C21A B1A O3A -151.3(3) .
C22A C21A B1A O3A 28.0(4) .
N2A C21A B1A C11A -33.0(4) .
C22A C21A B1A C11A 146.4(3) .
N2A C21A B1A C31A 93.0(4) .
C22A C21A B1A C31A -87.6(4) .
N1A C11A B1A O3A 155.8(3) .
C12A C11A B1A O3A -26.1(4) .
N1A C11A B1A C21A 37.3(4) .
C12A C11A B1A C21A -144.6(3) .
N1A C11A B1A C31A -89.5(4) .
C12A C11A B1A C31A 88.6(4) .
C21A B1A O3A C3A 60.0(4) .
C11A B1A O3A C3A -61.1(4) .
C31A B1A O3A C3A -179.7(3) .
C21A B1A O3A Na2 -99.6(3) 1_455
C11A B1A O3A Na2 139.3(2) 1_455
C31A B1A O3A Na2 20.8(4) 1_455
B1A O3A C3A Na2 -164.4(3) 1_455
O3A B1A C31A C32A 55.8(3) .
C21A B1A C31A C32A 173.1(3) .
C11A B1A C31A C32A -60.4(3) .
O3A B1A C31A C38A -67.7(3) .
C21A B1A C31A C38A 49.6(4) .
C11A B1A C31A C38A 176.1(3) .
O3A B1A C31A C35A 174.8(3) .
C21A B1A C31A C35A -67.9(4) .
C11A B1A C31A C35A 58.6(4) .
C38A C31A C32A C33A -90.6(4) .
C35A C31A C32A C33A 19.8(4) .
B1A C31A C32A C33A 145.2(3) .
C31A C32A C33A C34A -39.6(4) .
C32A C33A C34A C35A 44.0(4) .
C33A C34A C35A C36A 84.3(4) .
C33A C34A C35A C31A -31.7(4) .
C32A C31A C35A C36A -114.2(3) .
C38A C31A C35A C36A 1.1(4) .
B1A C31A C35A C36A 123.0(3) .
C32A C31A C35A C34A 7.5(4) .
C38A C31A C35A C34A 122.8(3) .
B1A C31A C35A C34A -115.4(3) .
C34A C35A C36A C37A -142.9(3) .
C31A C35A C36A C37A -27.6(4) .
C35A C36A C37A C38A 42.8(4) .
C36A C37A C38A C31A -42.4(4) .
C32A C31A C38A C37A 136.2(3) .
C35A C31A C38A C37A 25.1(4) .
B1A C31A C38A C37A -99.5(3) .
C15B N1B C11B C12B -1.0(5) .
Pt2 N1B C11B C12B 174.1(3) .
C15B N1B C11B B1B 178.5(3) .
Pt2 N1B C11B B1B -6.4(4) .
N1B C11B C12B C13B 0.1(5) .
B1B C11B C12B C13B -179.4(4) .
C11B C12B C13B C14B 0.8(6) .
C12B C13B C14B C15B -0.9(7) .
C11B N1B C15B C14B 0.9(6) .
Pt2 N1B C15B C14B -174.4(4) .
C13B C14B C15B N1B 0.1(7) .
C25B N2B C21B C22B 2.0(5) .
Pt2 N2B C21B C22B -173.1(3) .
C25B N2B C21B B1B -177.8(3) .
Pt2 N2B C21B B1B 7.1(4) .
N2B C21B C22B C23B -1.5(6) .
B1B C21B C22B C23B 178.3(4) .
C21B C22B C23B C24B -0.6(7) .
C22B C23B C24B C25B 2.3(8) .
C21B N2B C25B C24B -0.3(7) .
Pt2 N2B C25B C24B 175.1(4) .
C23B C24B C25B N2B -1.9(8) .
N1B C11B B1B O3B -152.8(3) .
C12B C11B B1B O3B 26.7(4) .
N1B C11B B1B C21B -35.8(4) .
C12B C11B B1B C21B 143.7(3) .
N1B C11B B1B C31B 91.9(4) .
C12B C11B B1B C31B -88.6(4) .
N2B C21B B1B O3B 152.6(3) .
C22B C21B B1B O3B -27.2(4) .
N2B C21B B1B C11B 35.4(4) .
C22B C21B B1B C11B -144.4(3) .
N2B C21B B1B C31B -92.1(4) .
C22B C21B B1B C31B 88.1(4) .
C11B B1B O3B C3B 59.3(4) .
C21B B1B O3B C3B -60.7(4) .
C31B B1B O3B C3B 179.1(3) .
C11B B1B O3B Na1 -97.3(3) .
C21B B1B O3B Na1 142.6(2) .
C31B B1B O3B Na1 22.5(4) .
B1B O3B C3B Na1 -164.8(3) .
O3B B1B C31B C32B -49.7(4) .
C11B B1B C31B C32B 66.9(4) .
C21B B1B C31B C32B -166.0(3) .
O3B B1B C31B C38B 74.2(3) .
C11B B1B C31B C38B -169.2(3) .
C21B B1B C31B C38B -42.1(4) .
O3B B1B C31B C35B -167.9(3) .
C11B B1B C31B C35B -51.4(4) .
C21B B1B C31B C35B 75.7(4) .
C38B C31B C32B C33B 93.2(4) .
C35B C31B C32B C33B -15.9(4) .
B1B C31B C32B C33B -140.9(3) .
C31B C32B C33B C34B 36.6(5) .
C32B C33B C34B C35B -42.9(5) .
C33B C34B C35B C36B -83.9(5) .
C33B C34B C35B C31B 33.4(5) .
C32B C31B C35B C36B 111.7(3) .
C38B C31B C35B C36B -2.7(4) .
B1B C31B C35B C36B -126.5(3) .
C32B C31B C35B C34B -10.8(4) .
C38B C31B C35B C34B -125.2(3) .
B1B C31B C35B C34B 111.0(4) .
C34B C35B C36B C37B 144.5(4) .
C31B C35B C36B C37B 28.3(4) .
C35B C36B C37B C38B -42.7(4) .
C36B C37B C38B C31B 41.4(4) .
C32B C31B C38B C37B -133.4(3) .
C35B C31B C38B C37B -23.1(4) .
B1B C31B C38B C37B 102.1(4) .
