#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:57:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179712 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/14/7001476.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_7001476
loop_
_publ_author_name
'Sarkar, Biprajit'
'Hübner, Ralph'
'Pattacini, Roberto'
'Hartenbach, Ingo'
_publ_section_title
;
 Combining two non-innocent ligands in isomeric complexes [Pt(pap)mQn]0
 (pap = phenylazopyridine, Q = 3,5-di-tert-butyl-benzoquinone
;
_journal_issue                   24
_journal_name_full               'Dalton Transactions'
_journal_page_first              4653
_journal_page_last               4655
_journal_paper_doi               10.1039/b902645b
_journal_year                    2009
_chemical_formula_moiety         'C25 H29 N3 O2 Pt'
_chemical_formula_sum            'C25 H29 N3 O2 Pt'
_chemical_formula_weight         598.60
_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                107.050(3)
_cell_angle_beta                 98.301(3)
_cell_angle_gamma                101.033(2)
_cell_formula_units_Z            4
_cell_length_a                   10.7992(3)
_cell_length_b                   13.6690(4)
_cell_length_c                   16.6581(6)
_cell_measurement_reflns_used    9939
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.4503
_cell_measurement_theta_min      3.0354
_cell_volume                     2254.17(13)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       ω/q-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  0.0460
_diffrn_reflns_av_sigmaI/netI    0.0714
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21767
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    6.251
_exptl_absorpt_correction_T_max  0.4540
_exptl_absorpt_correction_T_min  0.3535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.411
_refine_diff_density_min         -0.939
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     575
_refine_ls_number_reflns         9287
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0160P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0499
_refine_ls_wR_factor_ref         0.0526
_reflns_number_gt                6498
_reflns_number_total             9287
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b902645b.txt
_cod_data_source_block           gklger15
_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        2254.17(12)
_cod_database_code               7001476
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 0.803548(18) 0.049912(15) 0.899606(13) 0.02055(6) Uani 1 1 d . . .
N1 N 0.9805(4) 0.1061(3) 0.9719(3) 0.0231(10) Uani 1 1 d . . .
N2 N 0.7702(4) 0.1058(3) 1.0145(3) 0.0222(10) Uani 1 1 d . . .
N3 N 0.9941(4) 0.1501(3) 1.0536(3) 0.0211(10) Uani 1 1 d . . .
O1 O 0.8300(3) -0.0077(3) 0.7820(2) 0.0270(9) Uani 1 1 d . . .
O2 O 0.6208(3) 0.0003(3) 0.8402(2) 0.0259(8) Uani 1 1 d . . .
C1 C 0.7163(4) -0.0475(4) 0.7217(3) 0.0230(12) Uani 1 1 d . . .
C2 C 0.6052(5) -0.0425(4) 0.7548(3) 0.0218(12) Uani 1 1 d . . .
C3 C 0.4834(4) -0.0813(4) 0.6993(3) 0.0236(12) Uani 1 1 d . . .
H3 H 0.4078 -0.0792 0.7221 0.028 Uiso 1 1 calc R . .
C4 C 0.4725(4) -0.1228(4) 0.6117(3) 0.0227(12) Uani 1 1 d . . .
C5 C 0.5871(4) -0.1265(4) 0.5810(3) 0.0227(12) Uani 1 1 d . . .
H5 H 0.5799 -0.1555 0.5208 0.027 Uiso 1 1 calc R . .
C6 C 0.7096(4) -0.0902(4) 0.6334(3) 0.0220(12) Uani 1 1 d . . .
C7 C 0.3405(4) -0.1710(4) 0.5492(3) 0.0257(12) Uani 1 1 d . . .
C8 C 0.2984(6) -0.2880(5) 0.5406(4) 0.0520(19) Uani 1 1 d . . .
H8A H 0.2110 -0.3185 0.5049 0.078 Uiso 1 1 calc R . .
H8B H 0.2991 -0.2945 0.5977 0.078 Uiso 1 1 calc R . .
H8C H 0.3582 -0.3257 0.5137 0.078 Uiso 1 1 calc R . .
C9 C 0.3446(5) -0.1633(5) 0.4608(4) 0.0397(15) Uani 1 1 d . . .
H9A H 0.2574 -0.1901 0.4246 0.059 Uiso 1 1 calc R . .
H9B H 0.4014 -0.2053 0.4349 0.059 Uiso 1 1 calc R . .
H9C H 0.3777 -0.0893 0.4658 0.059 Uiso 1 1 calc R . .
C10 C 0.2387(5) -0.1170(5) 0.5830(4) 0.0485(18) Uani 1 1 d . . .
H10A H 0.2652 -0.0415 0.5909 0.073 Uiso 1 1 calc R . .
H10B H 0.2295 -0.1263 0.6382 0.073 Uiso 1 1 calc R . .
H10C H 0.1559 -0.1485 0.5417 0.073 Uiso 1 1 calc R . .
C11 C 0.8331(4) -0.0965(4) 0.5984(3) 0.0240(12) Uani 1 1 d . . .
C12 C 0.9222(5) 0.0151(4) 0.6218(4) 0.0343(14) Uani 1 1 d . . .
H12A H 0.9441 0.0487 0.6844 0.051 Uiso 1 1 calc R . .
H12B H 0.8777 0.0576 0.5953 0.051 Uiso 1 1 calc R . .
H12C H 1.0015 0.0096 0.6005 0.051 Uiso 1 1 calc R . .
C13 C 0.9033(5) -0.1663(4) 0.6360(4) 0.0304(13) Uani 1 1 d . . .
H13A H 0.9279 -0.1346 0.6987 0.046 Uiso 1 1 calc R . .
H13B H 0.9809 -0.1720 0.6127 0.046 Uiso 1 1 calc R . .
H13C H 0.8457 -0.2368 0.6205 0.046 Uiso 1 1 calc R . .
C14 C 0.8025(5) -0.1457(4) 0.5000(3) 0.0334(14) Uani 1 1 d . . .
H14A H 0.8828 -0.1511 0.4801 0.050 Uiso 1 1 calc R . .
H14B H 0.7608 -0.1010 0.4743 0.050 Uiso 1 1 calc R . .
H14C H 0.7444 -0.2162 0.4827 0.050 Uiso 1 1 calc R . .
C15 C 0.8783(5) 0.1517(4) 1.0788(3) 0.0217(11) Uani 1 1 d . . .
C16 C 0.8721(5) 0.1969(4) 1.1633(3) 0.0241(12) Uani 1 1 d . . .
H16 H 0.9489 0.2275 1.2068 0.029 Uiso 1 1 calc R . .
C17 C 0.7530(5) 0.1971(4) 1.1837(4) 0.0300(13) Uani 1 1 d . . .
H17 H 0.7465 0.2284 1.2414 0.036 Uiso 1 1 calc R . .
C18 C 0.6425(5) 0.1508(4) 1.1189(3) 0.0264(13) Uani 1 1 d . . .
H18 H 0.5596 0.1493 1.1320 0.032 Uiso 1 1 calc R . .
C19 C 0.6542(5) 0.1073(4) 1.0358(3) 0.0230(12) Uani 1 1 d . . .
H19 H 0.5781 0.0773 0.9917 0.028 Uiso 1 1 calc R . .
C20 C 1.1031(5) 0.1068(4) 0.9458(4) 0.0218(12) Uani 1 1 d . . .
C21 C 1.2195(4) 0.1506(4) 1.0055(4) 0.0236(12) Uani 1 1 d . . .
H21 H 1.2199 0.1765 1.0651 0.028 Uiso 1 1 calc R . .
C22 C 1.3347(5) 0.1565(4) 0.9782(4) 0.0289(14) Uani 1 1 d . . .
H22 H 1.4142 0.1878 1.0190 0.035 Uiso 1 1 calc R . .
C23 C 1.3350(5) 0.1171(4) 0.8920(4) 0.0304(13) Uani 1 1 d . . .
H23 H 1.4143 0.1214 0.8733 0.036 Uiso 1 1 calc R . .
C24 C 1.2197(5) 0.0715(4) 0.8333(4) 0.0342(14) Uani 1 1 d . . .
H24 H 1.2195 0.0428 0.7740 0.041 Uiso 1 1 calc R . .
C25 C 1.1039(5) 0.0671(4) 0.8602(4) 0.0283(13) Uani 1 1 d . . .
H25 H 1.0246 0.0366 0.8191 0.034 Uiso 1 1 calc R . .
Pt1B Pt 0.780052(18) 0.374276(15) 1.030396(13) 0.02127(6) Uani 1 1 d . . .
N1B N 0.7421(4) 0.3184(3) 0.9059(3) 0.0272(11) Uani 1 1 d . . .
N2B N 0.9543(4) 0.3774(3) 1.0074(3) 0.0215(10) Uani 1 1 d . . .
N3B N 0.8365(4) 0.3032(3) 0.8654(3) 0.0292(11) Uani 1 1 d . . .
O1B O 0.8363(3) 0.4350(3) 1.1552(2) 0.0245(8) Uani 1 1 d . . .
O2B O 0.6049(3) 0.3622(2) 1.0551(2) 0.0228(8) Uani 1 1 d . . .
C1B C 0.7338(4) 0.4368(4) 1.1953(3) 0.0198(11) Uani 1 1 d . . .
C2B C 0.6109(5) 0.3958(4) 1.1411(3) 0.0230(12) Uani 1 1 d . . .
C3B C 0.5003(4) 0.3892(4) 1.1752(3) 0.0249(12) Uani 1 1 d . . .
H3B H 0.4177 0.3586 1.1378 0.030 Uiso 1 1 calc R . .
C4B C 0.5101(5) 0.4266(4) 1.2625(3) 0.0237(12) Uani 1 1 d . . .
C5B C 0.6344(5) 0.4710(4) 1.3156(3) 0.0242(12) Uani 1 1 d . . .
H5B H 0.6413 0.4979 1.3760 0.029 Uiso 1 1 calc R . .
C6B C 0.7482(5) 0.4779(4) 1.2848(3) 0.0221(12) Uani 1 1 d . . .
C7B C 0.3904(5) 0.4253(4) 1.3016(4) 0.0316(13) Uani 1 1 d . . .
C8B C 0.4124(6) 0.4101(7) 1.3883(4) 0.078(3) Uani 1 1 d . . .
H8D H 0.3341 0.4117 1.4115 0.117 Uiso 1 1 calc R . .
H8E H 0.4844 0.4669 1.4277 0.117 Uiso 1 1 calc R . .
H8F H 0.4330 0.3418 1.3820 0.117 Uiso 1 1 calc R . .
C9B C 0.3535(7) 0.5302(5) 1.3092(6) 0.085(3) Uani 1 1 d . . .
H9D H 0.2723 0.5289 1.3291 0.127 Uiso 1 1 calc R . .
H9E H 0.3429 0.5402 1.2530 0.127 Uiso 1 1 calc R . .
H9F H 0.4219 0.5886 1.3505 0.127 Uiso 1 1 calc R . .
C10B C 0.2759(5) 0.3373(4) 1.2455(4) 0.0364(14) Uani 1 1 d . . .
H10D H 0.2971 0.2691 1.2383 0.055 Uiso 1 1 calc R . .
H10E H 0.2548 0.3460 1.1892 0.055 Uiso 1 1 calc R . .
H10F H 0.2015 0.3399 1.2728 0.055 Uiso 1 1 calc R . .
C11B C 0.8823(5) 0.5297(4) 1.3454(3) 0.0251(12) Uani 1 1 d . . .
C12B C 0.9496(5) 0.6235(4) 1.3220(4) 0.0362(14) Uani 1 1 d . . .
H12D H 0.8974 0.6754 1.3282 0.054 Uiso 1 1 calc R . .
H12E H 0.9598 0.5989 1.2624 0.054 Uiso 1 1 calc R . .
H12F H 1.0348 0.6562 1.3604 0.054 Uiso 1 1 calc R . .
C13B C 0.9665(4) 0.4483(4) 1.3357(3) 0.0273(12) Uani 1 1 d . . .
H13D H 1.0509 0.4813 1.3751 0.041 Uiso 1 1 calc R . .
H13E H 0.9784 0.4250 1.2765 0.041 Uiso 1 1 calc R . .
H13F H 0.9234 0.3873 1.3496 0.041 Uiso 1 1 calc R . .
C14B C 0.8741(5) 0.5674(4) 1.4394(3) 0.0322(14) Uani 1 1 d . . .
H14D H 0.9613 0.5975 1.4754 0.048 Uiso 1 1 calc R . .
H14E H 0.8308 0.5076 1.4547 0.048 Uiso 1 1 calc R . .
H14F H 0.8247 0.6214 1.4487 0.048 Uiso 1 1 calc R . .
C15B C 0.9534(5) 0.3332(4) 0.9222(4) 0.0280(13) Uani 1 1 d . . .
C16B C 1.0683(5) 0.3237(4) 0.8945(4) 0.0337(14) Uani 1 1 d . . .
H16B H 1.0671 0.2923 0.8353 0.040 Uiso 1 1 calc R . .
C17B C 1.1818(6) 0.3605(5) 0.9541(4) 0.0391(16) Uani 1 1 d . . .
H17B H 1.2607 0.3542 0.9366 0.047 Uiso 1 1 calc R . .
C18B C 1.1820(5) 0.4067(4) 1.0394(4) 0.0319(14) Uani 1 1 d . . .
H18B H 1.2614 0.4342 1.0806 0.038 Uiso 1 1 calc R . .
C19B C 1.0673(5) 0.4132(4) 1.0653(4) 0.0263(13) Uani 1 1 d . . .
H19B H 1.0679 0.4433 1.1246 0.032 Uiso 1 1 calc R . .
C20B C 0.6188(5) 0.2911(4) 0.8473(3) 0.0245(12) Uani 1 1 d . . .
C21B C 0.5906(5) 0.2089(4) 0.7700(3) 0.0301(13) Uani 1 1 d . . .
H21B H 0.6503 0.1671 0.7559 0.036 Uiso 1 1 calc R . .
C22B C 0.4746(6) 0.1890(4) 0.7142(4) 0.0387(15) Uani 1 1 d . . .
H22B H 0.4526 0.1310 0.6621 0.046 Uiso 1 1 calc R . .
C23B C 0.3900(6) 0.2518(5) 0.7326(4) 0.0397(16) Uani 1 1 d . . .
H23B H 0.3116 0.2385 0.6925 0.048 Uiso 1 1 calc R . .
C24B C 0.4192(5) 0.3343(4) 0.8097(4) 0.0321(14) Uani 1 1 d . . .
H24B H 0.3609 0.3777 0.8223 0.039 Uiso 1 1 calc R . .
C25B C 0.5329(5) 0.3536(4) 0.8682(3) 0.0285(13) Uani 1 1 d . . .
H25B H 0.5522 0.4088 0.9218 0.034 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 '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'
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'
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
N2 Pt1 O2 95.45(15) . . ?
N2 Pt1 O1 177.83(14) . . ?
O2 Pt1 O1 82.38(13) . . ?
N2 Pt1 N1 77.88(17) . . ?
O2 Pt1 N1 173.33(16) . . ?
O1 Pt1 N1 104.29(15) . . ?
N3 N1 C20 112.7(4) . . ?
N3 N1 Pt1 118.6(3) . . ?
C20 N1 Pt1 128.7(3) . . ?
C19 N2 C15 117.8(5) . . ?
C19 N2 Pt1 127.3(4) . . ?
C15 N2 Pt1 114.9(3) . . ?
N1 N3 C15 113.1(4) . . ?
C1 O1 Pt1 112.6(3) . . ?
C2 O2 Pt1 112.6(3) . . ?
O1 C1 C2 114.9(5) . . ?
O1 C1 C6 123.6(4) . . ?
C2 C1 C6 121.6(4) . . ?
O2 C2 C1 117.5(4) . . ?
O2 C2 C3 122.5(4) . . ?
C1 C2 C3 119.9(5) . . ?
C4 C3 C2 120.3(5) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 117.9(4) . . ?
C3 C4 C7 121.8(4) . . ?
C5 C4 C7 120.2(5) . . ?
C6 C5 C4 123.9(5) . . ?
C6 C5 H5 118.1 . . ?
C4 C5 H5 118.1 . . ?
C5 C6 C1 116.4(4) . . ?
C5 C6 C11 122.9(5) . . ?
C1 C6 C11 120.7(4) . . ?
C9 C7 C10 108.3(4) . . ?
C9 C7 C8 108.5(5) . . ?
C10 C7 C8 108.1(5) . . ?
C9 C7 C4 112.4(4) . . ?
C10 C7 C4 111.1(4) . . ?
C8 C7 C4 108.4(4) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C14 C11 C6 111.6(4) . . ?
C14 C11 C13 107.9(4) . . ?
C6 C11 C13 109.2(4) . . ?
C14 C11 C12 107.3(4) . . ?
C6 C11 C12 110.4(4) . . ?
C13 C11 C12 110.4(4) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 N3 115.6(5) . . ?
N2 C15 C16 122.4(5) . . ?
N3 C15 C16 122.1(5) . . ?
C17 C16 C15 118.9(5) . . ?
C17 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
C16 C17 C18 119.2(5) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
C19 C18 C17 119.4(5) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
N2 C19 C18 122.3(5) . . ?
N2 C19 H19 118.9 . . ?
C18 C19 H19 118.9 . . ?
C25 C20 C21 119.5(5) . . ?
C25 C20 N1 119.2(4) . . ?
C21 C20 N1 121.2(5) . . ?
C22 C21 C20 119.9(5) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C23 C22 C21 120.4(5) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C22 119.5(5) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C23 C24 C25 120.4(5) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C20 C25 C24 120.3(5) . . ?
C20 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
N1B Pt1B O1B 174.30(16) . . ?
N1B Pt1B N2B 78.70(18) . . ?
O1B Pt1B N2B 95.76(16) . . ?
N1B Pt1B O2B 101.89(16) . . ?
O1B Pt1B O2B 83.74(13) . . ?
N2B Pt1B O2B 176.13(14) . . ?
N3B N1B C20B 112.3(4) . . ?
N3B N1B Pt1B 119.6(3) . . ?
C20B N1B Pt1B 128.2(3) . . ?
C19B N2B C15B 119.6(5) . . ?
C19B N2B Pt1B 127.4(4) . . ?
C15B N2B Pt1B 113.0(3) . . ?
N1B N3B C15B 111.3(5) . . ?
C1B O1B Pt1B 112.0(3) . . ?
C2B O2B Pt1B 110.9(3) . . ?
O1B C1B C2B 115.9(5) . . ?
O1B C1B C6B 123.3(4) . . ?
C2B C1B C6B 120.8(5) . . ?
O2B C2B C3B 122.0(5) . . ?
O2B C2B C1B 117.3(4) . . ?
C3B C2B C1B 120.6(5) . . ?
C4B C3B C2B 120.3(5) . . ?
C4B C3B H3B 119.8 . . ?
C2B C3B H3B 119.8 . . ?
C3B C4B C5B 118.0(5) . . ?
C3B C4B C7B 121.5(4) . . ?
C5B C4B C7B 120.4(5) . . ?
C6B C5B C4B 123.9(5) . . ?
C6B C5B H5B 118.1 . . ?
C4B C5B H5B 118.1 . . ?
C5B C6B C1B 116.2(4) . . ?
C5B C6B C11B 122.0(5) . . ?
C1B C6B C11B 121.7(4) . . ?
C8B C7B C10B 106.4(5) . . ?
C8B C7B C4B 112.4(4) . . ?
C10B C7B C4B 112.3(4) . . ?
C8B C7B C9B 110.5(6) . . ?
C10B C7B C9B 107.5(5) . . ?
C4B C7B C9B 107.7(5) . . ?
C7B C8B H8D 109.5 . . ?
C7B C8B H8E 109.5 . . ?
H8D C8B H8E 109.5 . . ?
C7B C8B H8F 109.5 . . ?
H8D C8B H8F 109.5 . . ?
H8E C8B H8F 109.5 . . ?
C7B C9B H9D 109.5 . . ?
C7B C9B H9E 109.5 . . ?
H9D C9B H9E 109.5 . . ?
C7B C9B H9F 109.5 . . ?
H9D C9B H9F 109.5 . . ?
H9E C9B H9F 109.5 . . ?
C7B C10B H10D 109.5 . . ?
C7B C10B H10E 109.5 . . ?
H10D C10B H10E 109.5 . . ?
C7B C10B H10F 109.5 . . ?
H10D C10B H10F 109.5 . . ?
H10E C10B H10F 109.5 . . ?
C14B C11B C12B 109.1(4) . . ?
C14B C11B C6B 112.4(4) . . ?
C12B C11B C6B 109.6(4) . . ?
C14B C11B C13B 106.9(4) . . ?
C12B C11B C13B 108.9(4) . . ?
C6B C11B C13B 109.9(4) . . ?
C11B C12B H12D 109.5 . . ?
C11B C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C11B C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
C11B C13B H13D 109.5 . . ?
C11B C13B H13E 109.5 . . ?
H13D C13B H13E 109.5 . . ?
C11B C13B H13F 109.5 . . ?
H13D C13B H13F 109.5 . . ?
H13E C13B H13F 109.5 . . ?
C11B C14B H14D 109.5 . . ?
C11B C14B H14E 109.5 . . ?
H14D C14B H14E 109.5 . . ?
C11B C14B H14F 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
N2B C15B N3B 117.2(5) . . ?
N2B C15B C16B 120.9(5) . . ?
N3B C15B C16B 121.9(6) . . ?
C17B C16B C15B 118.7(6) . . ?
C17B C16B H16B 120.6 . . ?
C15B C16B H16B 120.6 . . ?
C16B C17B C18B 119.9(5) . . ?
C16B C17B H17B 120.0 . . ?
C18B C17B H17B 120.0 . . ?
C17B C18B C19B 120.2(6) . . ?
C17B C18B H18B 119.9 . . ?
C19B C18B H18B 119.9 . . ?
N2B C19B C18B 120.6(6) . . ?
N2B C19B H19B 119.7 . . ?
C18B C19B H19B 119.7 . . ?
C21B C20B C25B 121.1(5) . . ?
C21B C20B N1B 120.7(5) . . ?
C25B C20B N1B 118.2(5) . . ?
C22B C21B C20B 118.7(5) . . ?
C22B C21B H21B 120.6 . . ?
C20B C21B H21B 120.6 . . ?
C23B C22B C21B 121.0(6) . . ?
C23B C22B H22B 119.5 . . ?
C21B C22B H22B 119.5 . . ?
C22B C23B C24B 119.9(6) . . ?
C22B C23B H23B 120.1 . . ?
C24B C23B H23B 120.1 . . ?
C25B C24B C23B 120.2(5) . . ?
C25B C24B H24B 119.9 . . ?
C23B C24B H24B 119.9 . . ?
C24B C25B C20B 119.0(5) . . ?
C24B C25B H25B 120.5 . . ?
C20B C25B H25B 120.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N2 1.956(4) . ?
Pt1 O2 1.966(3) . ?
Pt1 O1 1.970(4) . ?
Pt1 N1 1.981(4) . ?
N1 N3 1.289(5) . ?
N1 C20 1.452(6) . ?
N2 C19 1.354(6) . ?
N2 C15 1.366(6) . ?
N3 C15 1.378(6) . ?
O1 C1 1.372(5) . ?
O2 C2 1.340(6) . ?
C1 C2 1.396(7) . ?
C1 C6 1.399(7) . ?
C2 C3 1.401(6) . ?
C3 C4 1.380(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.410(6) . ?
C4 C7 1.536(6) . ?
C5 C6 1.386(6) . ?
C5 H5 0.9500 . ?
C6 C11 1.539(7) . ?
C7 C9 1.513(7) . ?
C7 C10 1.521(7) . ?
C7 C8 1.534(7) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C14 1.537(7) . ?
C11 C13 1.539(7) . ?
C11 C12 1.544(7) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.379(7) . ?
C16 C17 1.378(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.388(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.372(7) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.372(7) . ?
C20 C21 1.389(6) . ?
C21 C22 1.381(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.378(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.374(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.385(7) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
Pt1B N1B 1.938(5) . ?
Pt1B O1B 1.952(3) . ?
Pt1B N2B 1.969(4) . ?
Pt1B O2B 1.980(3) . ?
N1B N3B 1.318(6) . ?
N1B C20B 1.444(6) . ?
N2B C19B 1.346(6) . ?
N2B C15B 1.367(6) . ?
N3B C15B 1.373(7) . ?
O1B C1B 1.373(6) . ?
O2B C2B 1.358(6) . ?
C1B C2B 1.401(6) . ?
C1B C6B 1.404(7) . ?
C2B C3B 1.394(7) . ?
C3B C4B 1.374(7) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.408(6) . ?
C4B C7B 1.528(7) . ?
C5B C6B 1.396(7) . ?
C5B H5B 0.9500 . ?
C6B C11B 1.544(7) . ?
C7B C8B 1.511(8) . ?
C7B C10B 1.512(7) . ?
C7B C9B 1.536(8) . ?
C8B H8D 0.9800 . ?
C8B H8E 0.9800 . ?
C8B H8F 0.9800 . ?
C9B H9D 0.9800 . ?
C9B H9E 0.9800 . ?
C9B H9F 0.9800 . ?
C10B H10D 0.9800 . ?
C10B H10E 0.9800 . ?
C10B H10F 0.9800 . ?
C11B C14B 1.521(7) . ?
C11B C12B 1.530(7) . ?
C11B C13B 1.554(7) . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C13B H13D 0.9800 . ?
C13B H13E 0.9800 . ?
C13B H13F 0.9800 . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15B C16B 1.400(7) . ?
C16B C17B 1.364(8) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.376(8) . ?
C17B H17B 0.9500 . ?
C18B C19B 1.380(7) . ?
C18B H18B 0.9500 . ?
C19B H19B 0.9500 . ?
C20B C21B 1.386(7) . ?
C20B C25B 1.390(7) . ?
C21B C22B 1.377(7) . ?
C21B H21B 0.9500 . ?
C22B C23B 1.376(8) . ?
C22B H22B 0.9500 . ?
C23B C24B 1.384(8) . ?
C23B H23B 0.9500 . ?
C24B C25B 1.381(7) . ?
C24B H24B 0.9500 . ?
C25B H25B 0.9500 . ?
