#------------------------------------------------------------------------------
#$Date: 2017-01-09 05:23:00 +0200 (Mon, 09 Jan 2017) $
#$Revision: 190142 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/12/7041202.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_7041202
loop_
_publ_author_name
'Hashimoto, Takumi'
'Fukumoto, Kanako'
'Le, Ngoc Ha-Thu'
'Matsuoka, Tatsuya'
'Kawamorita, Soichiro'
'Komiya, Naruyoshi'
'Naota, Takeshi'
_publ_section_title
;
 Dynamic neighbouring participation of nitrogen lone pairs on the
 chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination
 platforms.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              19257
_journal_page_last               19268
_journal_paper_doi               10.1039/c6dt04005e
_journal_volume                  45
_journal_year                    2016
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C28 H40 N4 O2 Pt'
_chemical_formula_sum            'C28 H40 N4 O2 Pt'
_chemical_formula_weight         659.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2016-06-16 deposited with the CCDC.
2016-11-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.825(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.6527(16)
_cell_length_b                   18.415(2)
_cell_length_c                   14.174(2)
_cell_measurement_reflns_used    3830
_cell_measurement_temperature    273
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.14
_cell_volume                     2721.5(6)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b45'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b45'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      273
_diffrn_detector_area_resol_mean 5.811
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku XtaLAB P100'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0629
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27987
_diffrn_reflns_point_group_measured_fraction_full 0.945
_diffrn_reflns_point_group_measured_fraction_max 0.918
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.113
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.167
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.854
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             1320.00
_exptl_crystal_size_max          0.059
_exptl_crystal_size_mid          0.034
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.40
_refine_diff_density_min         -1.60
_refine_ls_abs_structure_details
;
 Flack x determined using 3335 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.001(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     535
_refine_ls_number_reflns         11471
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0144P)²+5.0383P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0735
_refine_ls_wR_factor_ref         0.0803
_reflns_number_gt                9133
_reflns_number_total             11471
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c6dt04005e2.cif
_cod_data_source_block           PILATUS208
_cod_depositor_comments
'Adding full bibliography for 7041196--7041202.cif.'
_cod_original_cell_volume        2721.4(7)
_cod_database_code               7041202
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+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_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.18456(4) 0.73299(3) 0.34612(3) 0.01289(11) Uani 1 2 d .
Pt2 Pt 0.51295(5) 0.93588(2) -0.07646(4) 0.01918(14) Uani 1 2 d .
O26 O 0.2095(8) 0.8394(4) 0.3715(6) 0.022(2) Uani 1 2 d .
O51 O 0.4437(7) 0.9302(5) 0.0445(6) 0.025(2) Uani 1 2 d .
O52 O 0.5836(8) 0.9400(6) -0.1950(6) 0.031(2) Uani 1 2 d .
O53 O 0.1469(8) 0.6281(4) 0.3176(6) 0.020(2) Uani 1 2 d .
N4 N 0.1510(10) 0.7519(5) 0.2018(7) 0.016(2) Uani 1 2 d .
N12 N 0.3340(9) 0.9594(5) -0.1516(7) 0.018(2) Uani 1 2 d .
N14 N 0.2262(9) 0.7133(5) 0.4891(7) 0.014(2) Uani 1 2 d .
N19 N 0.6939(10) 0.9144(5) -0.0008(8) 0.025(3) Uani 1 2 d .
N28 N 0.1668(10) 0.6984(5) 0.1294(7) 0.018(2) Uani 1 2 d .
N47 N 0.8047(10) 0.9031(5) -0.0454(8) 0.021(2) Uani 1 2 d .
N49 N 0.2159(9) 0.9566(5) -0.1150(8) 0.020(2) Uani 1 2 d .
N54 N 0.2868(10) 0.7641(5) 0.5633(7) 0.016(2) Uani 1 2 d .
C3 C 0.3985(12) 0.9882(6) -0.3043(9) 0.015(3) Uani 1 2 d .
C5 C 0.1962(13) 0.8846(6) -0.0790(9) 0.022(3) Uani 1 2 d .
C6 C 0.7847(13) 0.8396(6) -0.1098(9) 0.023(3) Uani 1 2 d .
C7 C 0.7736(16) 0.7023(7) -0.1158(13) 0.046(5) Uani 1 2 d .
C8 C 0.5106(12) 0.9266(6) 0.1335(8) 0.017(3) Uani 1 2 d .
C9 C 0.1114(12) 0.8811(7) 0.2117(9) 0.0204(12) Uani 1 2 d .
C10 C 0.6448(12) 0.9211(6) 0.1594(9) 0.017(3) Uani 1 2 d .
C11 C 0.8425(13) 0.9696(7) -0.0839(10) 0.025(3) Uani 1 2 d .
C13 C 0.0687(11) 0.9423(7) 0.1549(9) 0.0204(12) Uani 1 2 d .
C15 C 0.5290(13) 0.9676(7) -0.2793(10) 0.021(3) Uani 1 2 d .
C16 C 0.0594(12) 0.4676(6) 0.4976(9) 0.021(3) Uani 1 2 d .
C17 C 0.2001(12) 0.6524(6) 0.5286(10) 0.017(3) Uani 1 2 d .
C18 C 0.2907(13) 0.6614(7) 0.1557(12) 0.0349(11) Uani 1 2 d .
C20 C 0.1602(12) 0.8910(7) 0.3120(9) 0.0204(12) Uani 1 2 d .
C21 C 0.6339(13) 0.7639(7) 0.5270(12) 0.0349(11) Uani 1 2 d .
C22 C 0.0552(13) 0.6504(6) 0.1064(9) 0.021(3) Uani 1 2 d .
C23 C 0.6343(12) 0.9221(7) 0.3294(9) 0.027(3) Uani 1 2 d .
C24 C 0.6055(13) 0.9765(7) -0.3469(10) 0.029(3) Uani 1 2 d .
C25 C 0.1419(11) 0.5894(6) 0.4789(9) 0.016(3) Uani 1 2 d .
C27 C 0.7053(13) 0.9192(6) 0.2591(10) 0.025(3) Uani 1 2 d .
C29 C 0.4084(13) 0.7922(7) 0.5414(12) 0.0349(11) Uani 1 2 d .
C30 C 0.1205(11) 0.8143(6) 0.1634(9) 0.015(3) Uani 1 2 d .
C31 C 0.1761(13) 0.8258(7) -0.1575(9) 0.022(3) Uani 1 2 d .
C32 C 0.5564(13) 1.0049(7) -0.4373(10) 0.027(3) Uani 1 2 d .
C33 C 0.2143(13) 1.0157(7) -0.0464(10) 0.027(3) Uani 1 2 d .
C34 C 0.1964(12) 0.8189(7) 0.5802(10) 0.025(3) Uani 1 2 d .
C35 C 0.4282(14) 1.0251(7) -0.4642(10) 0.030(3) Uani 1 2 d .
C36 C 0.1120(12) 0.5323(7) 0.5360(10) 0.023(3) Uani 1 2 d .
C37 C 0.0355(12) 0.4606(7) 0.3982(9) 0.023(3) Uani 1 2 d .
C38 C 0.5108(11) 0.7365(8) 0.5547(10) 0.0349(11) Uani 1 2 d .
C39 C 0.7261(12) 0.9129(6) 0.0929(10) 0.021(3) Uani 1 2 d .
C40 C 0.3477(13) 1.0147(6) -0.3990(9) 0.023(3) Uani 1 2 d .
C41 C 0.1813(16) 0.7506(7) -0.1182(10) 0.040(4) Uani 1 2 d .
C42 C 0.0631(11) 0.5142(6) 0.3383(9) 0.018(3) Uani 1 2 d .
C43 C 0.6435(11) 0.7304(9) 0.1962(10) 0.0349(11) Uani 1 2 d .
C44 C 0.5020(12) 0.9271(8) 0.3028(9) 0.029(3) Uani 1 2 d .
C45 C 0.3115(13) 0.9801(6) -0.2415(9) 0.021(3) Uani 1 2 d .
C46 C 0.8181(16) 0.7703(8) -0.0565(12) 0.040(4) Uani 1 2 d .
C48 C 0.4021(12) 0.7129(7) 0.1635(12) 0.0349(11) Uani 1 2 d .
C50 C 0.4409(13) 0.9295(8) 0.2090(9) 0.025(3) Uani 1 2 d .
C55 C 0.1685(14) 0.6904(7) -0.1919(12) 0.036(4) Uani 1 2 d .
C56 C 0.2244(14) 0.6184(8) -0.1532(11) 0.039(4) Uani 1 2 d .
C57 C 0.3703(14) 0.6160(8) -0.1237(10) 0.035(4) Uani 1 2 d .
C58 C 0.4350(15) 0.6201(8) -0.2091(12) 0.041(4) Uani 1 2 d .
C59 C 0.5819(15) 0.6233(7) -0.1844(12) 0.040(4) Uani 1 2 d .
C60 C 0.5326(13) 0.6759(7) 0.1906(12) 0.0349(11) Uani 1 2 d .
C61 C 0.7786(13) 0.6976(8) 0.2356(11) 0.0349(11) Uani 1 2 d .
C62 C 0.8080(14) 0.6832(8) 0.3398(12) 0.0349(11) Uani 1 2 d .
C63 C 0.8442(14) 0.7500(7) 0.4081(11) 0.0349(11) Uani 1 2 d .
C64 C 0.8642(13) 0.7407(10) 0.5119(11) 0.0349(11) Uani 1 2 d .
C65 C 0.7436(13) 0.7108(7) 0.5482(12) 0.0349(11) Uani 1 2 d .
C66 C 0.1174(11) 0.5805(6) 0.3780(9) 0.012(3) Uani 1 2 d .
C67 C 0.0716(12) 1.0107(7) 0.1927(10) 0.0204(12) Uani 1 2 d .
C68 C 0.1166(12) 1.0196(7) 0.2922(9) 0.0204(12) Uani 1 2 d .
C69 C 0.1605(12) 0.9620(6) 0.3491(10) 0.0204(12) Uani 1 2 d .
C70 C 0.6315(16) 0.6904(9) -0.1329(14) 0.055(5) Uani 1 2 d .
H5A H 0.1219 0.88566 -0.04932 0.0269 Uiso 1 2 calc R
H5B H 0.27006 0.87169 -0.02954 0.0269 Uiso 1 2 calc R
H6A H 0.83708 0.84469 -0.15795 0.0276 Uiso 1 2 calc R
H6B H 0.69565 0.83795 -0.14309 0.0276 Uiso 1 2 calc R
H7A H 0.79888 0.70621 -0.17762 0.0547 Uiso 1 2 calc R
H7B H 0.81669 0.66031 -0.08273 0.0547 Uiso 1 2 calc R
H11A H 0.9152 0.96085 -0.11269 0.0299 Uiso 1 2 calc R
H11B H 0.77272 0.98795 -0.13184 0.0299 Uiso 1 2 calc R
H11C H 0.86498 1.00456 -0.033 0.0299 Uiso 1 2 calc R
H13 H 0.03728 0.93605 0.08921 0.0245 Uiso 1 2 calc R
H16 H 0.0407 0.4303 0.53679 0.0251 Uiso 1 2 calc R
H17 H 0.22152 0.64984 0.59552 0.0200 Uiso 1 2 calc R
H18A H 0.29636 0.62479 0.10757 0.0419 Uiso 1 2 calc R
H18B H 0.29581 0.63695 0.21698 0.0419 Uiso 1 2 calc R
H21A H 0.61589 0.775 0.45866 0.0419 Uiso 1 2 calc R
H21B H 0.65982 0.8087 0.56159 0.0419 Uiso 1 2 calc R
H22A H 0.06783 0.61572 0.05866 0.0251 Uiso 1 2 calc R
H22B H 0.0447 0.62528 0.16367 0.0251 Uiso 1 2 calc R
H22C H -0.02016 0.67867 0.08194 0.0251 Uiso 1 2 calc R
H23 H 0.67434 0.9207 0.39417 0.0322 Uiso 1 2 calc R
H24 H 0.69142 0.96297 -0.33117 0.0348 Uiso 1 2 calc R
H27 H 0.79418 0.91606 0.27657 0.0305 Uiso 1 2 calc R
H29A H 0.39241 0.80926 0.47529 0.0419 Uiso 1 2 calc R
H29B H 0.43741 0.83318 0.58308 0.0419 Uiso 1 2 calc R
H30 H 0.10226 0.81601 0.09644 0.0178 Uiso 1 2 calc R
H31A H 0.09337 0.83333 -0.2 0.0268 Uiso 1 2 calc R
H31B H 0.24149 0.83104 -0.19559 0.0268 Uiso 1 2 calc R
H32 H 0.61005 1.01063 -0.48089 0.0318 Uiso 1 2 calc R
H33A H 0.22795 1.06109 -0.07603 0.0328 Uiso 1 2 calc R
H33B H 0.13272 1.01661 -0.02755 0.0328 Uiso 1 2 calc R
H33C H 0.28109 1.00815 0.00945 0.0328 Uiso 1 2 calc R
H34A H 0.23824 0.85174 0.62928 0.0301 Uiso 1 2 calc R
H34B H 0.16525 0.8453 0.5217 0.0301 Uiso 1 2 calc R
H34C H 0.12571 0.79592 0.60089 0.0301 Uiso 1 2 calc R
H35 H 0.39662 1.04514 -0.52458 0.0360 Uiso 1 2 calc R
H36 H 0.12841 0.53825 0.60258 0.0275 Uiso 1 2 calc R
H37 H -0.00076 0.41758 0.37086 0.0273 Uiso 1 2 calc R
H38A H 0.47993 0.69435 0.51574 0.0419 Uiso 1 2 calc R
H38B H 0.52999 0.72132 0.62167 0.0419 Uiso 1 2 calc R
H39 H 0.81264 0.90567 0.11907 0.0253 Uiso 1 2 calc R
H40 H 0.26067 1.02506 -0.41736 0.0275 Uiso 1 2 calc R
H41A H 0.11329 0.74519 -0.08247 0.0475 Uiso 1 2 calc R
H41B H 0.26218 0.74446 -0.07286 0.0475 Uiso 1 2 calc R
H42 H 0.04616 0.50701 0.27197 0.0216 Uiso 1 2 calc R
H43A H 0.62992 0.77055 0.23716 0.0419 Uiso 1 2 calc R
H43B H 0.64136 0.74964 0.13218 0.0419 Uiso 1 2 calc R
H44 H 0.45385 0.92891 0.3505 0.0349 Uiso 1 2 calc R
H45 H 0.22639 0.991 -0.26815 0.0249 Uiso 1 2 calc R
H46A H 0.78 0.77039 0.00006 0.0486 Uiso 1 2 calc R
H46B H 0.91045 0.76801 -0.03451 0.0486 Uiso 1 2 calc R
H48A H 0.39586 0.74945 0.21161 0.0419 Uiso 1 2 calc R
H48B H 0.39617 0.73748 0.10225 0.0419 Uiso 1 2 calc R
H50 H 0.35197 0.9331 0.19377 0.0297 Uiso 1 2 calc R
H55A H 0.07824 0.68353 -0.21979 0.0432 Uiso 1 2 calc R
H55B H 0.21037 0.70553 -0.24332 0.0432 Uiso 1 2 calc R
H56A H 0.19698 0.58155 -0.20203 0.0464 Uiso 1 2 calc R
H56B H 0.18878 0.60568 -0.09765 0.0464 Uiso 1 2 calc R
H57A H 0.39943 0.65621 -0.08056 0.0416 Uiso 1 2 calc R
H57B H 0.39576 0.5713 -0.08868 0.0416 Uiso 1 2 calc R
H58A H 0.40354 0.66286 -0.24658 0.0492 Uiso 1 2 calc R
H58B H 0.40942 0.57804 -0.24972 0.0492 Uiso 1 2 calc R
H59A H 0.61414 0.58175 -0.14465 0.0482 Uiso 1 2 calc R
H59B H 0.6142 0.61999 -0.24343 0.0482 Uiso 1 2 calc R
H60A H 0.53908 0.63895 0.14317 0.0419 Uiso 1 2 calc R
H60B H 0.53989 0.65218 0.25262 0.0419 Uiso 1 2 calc R
H61A H 0.78596 0.65246 0.20194 0.0419 Uiso 1 2 calc R
H61B H 0.84256 0.73077 0.22077 0.0419 Uiso 1 2 calc R
H62A H 0.87855 0.64886 0.35306 0.0419 Uiso 1 2 calc R
H62B H 0.73411 0.6596 0.35654 0.0419 Uiso 1 2 calc R
H63A H 0.92205 0.7708 0.39424 0.0419 Uiso 1 2 calc R
H63B H 0.77703 0.78594 0.38989 0.0419 Uiso 1 2 calc R
H64A H 0.88844 0.78711 0.54258 0.0419 Uiso 1 2 calc R
H64B H 0.93521 0.70744 0.53232 0.0419 Uiso 1 2 calc R
H65A H 0.71706 0.66499 0.51663 0.0419 Uiso 1 2 calc R
H65B H 0.76643 0.70213 0.61707 0.0419 Uiso 1 2 calc R
H67 H 0.04433 1.05049 0.15335 0.0245 Uiso 1 2 calc R
H68 H 0.11629 1.06554 0.31945 0.0245 Uiso 1 2 calc R
H69 H 0.19172 0.96959 0.41456 0.0245 Uiso 1 2 calc R
H70A H 0.60634 0.69044 -0.07084 0.0660 Uiso 1 2 calc R
H70B H 0.58956 0.73148 -0.16913 0.0660 Uiso 1 2 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(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_publ_flag
O26 Pt1 O53 176.1(3) yes
O26 Pt1 N4 90.2(3) yes
O26 Pt1 N14 90.1(4) yes
O53 Pt1 N4 88.6(3) yes
O53 Pt1 N14 91.3(3) yes
N4 Pt1 N14 177.4(4) yes
O51 Pt2 O52 178.9(4) yes
O51 Pt2 N12 89.4(4) yes
O51 Pt2 N19 90.8(4) yes
O52 Pt2 N12 91.5(4) yes
O52 Pt2 N19 88.3(4) yes
N12 Pt2 N19 178.8(4) yes
Pt1 O26 C20 125.1(7) yes
Pt2 O51 C8 126.9(8) yes
Pt2 O52 C15 127.6(9) yes
Pt1 O53 C66 125.5(7) yes
Pt1 N4 N28 124.8(6) yes
Pt1 N4 C30 123.8(8) yes
N28 N4 C30 111.2(10) yes
Pt2 N12 N49 126.3(7) yes
Pt2 N12 C45 122.7(9) yes
N49 N12 C45 111.0(9) yes
Pt1 N14 N54 125.8(7) yes
Pt1 N14 C17 124.2(8) yes
N54 N14 C17 110.1(9) yes
Pt2 N19 N47 124.0(7) yes
Pt2 N19 C39 124.2(10) yes
N47 N19 C39 111.7(10) yes
N4 N28 C18 111.3(9) yes
N4 N28 C22 111.0(10) yes
C18 N28 C22 115.1(9) yes
N19 N47 C6 110.8(9) yes
N19 N47 C11 111.0(10) yes
C6 N47 C11 117.3(11) yes
N12 N49 C5 110.8(9) yes
N12 N49 C33 109.8(9) yes
C5 N49 C33 115.1(11) yes
N14 N54 C29 110.5(10) yes
N14 N54 C34 110.8(9) yes
C29 N54 C34 115.5(10) yes
C15 C3 C40 119.5(13) yes
C15 C3 C45 123.3(11) yes
C40 C3 C45 117.1(11) yes
N49 C5 C31 113.5(11) yes
N47 C6 C46 112.2(11) yes
C46 C7 C70 113.4(14) yes
O51 C8 C10 125.1(12) yes
O51 C8 C50 117.1(11) yes
C10 C8 C50 117.8(11) yes
C13 C9 C20 118.6(11) yes
C13 C9 C30 117.7(11) yes
C20 C9 C30 123.2(11) yes
C8 C10 C27 119.2(12) yes
C8 C10 C39 124.3(11) yes
C27 C10 C39 116.3(11) yes
C9 C13 C67 122.4(11) yes
O52 C15 C3 124.0(13) yes
O52 C15 C24 117.3(12) yes
C3 C15 C24 118.8(12) yes
C36 C16 C37 117.2(12) yes
N14 C17 C25 126.3(12) yes
N28 C18 C48 112.4(11) yes
O26 C20 C9 124.5(11) yes
O26 C20 C69 117.7(11) yes
C9 C20 C69 117.7(11) yes
C38 C21 C65 113.9(12) yes
C27 C23 C44 119.1(12) yes
C15 C24 C32 121.3(13) yes
C17 C25 C36 116.7(11) yes
C17 C25 C66 124.5(11) yes
C36 C25 C66 118.8(10) yes
C10 C27 C23 121.0(12) yes
N54 C29 C38 112.6(11) yes
N4 C30 C9 127.4(12) yes
C5 C31 C41 113.3(11) yes
C24 C32 C35 121.3(14) yes
C32 C35 C40 118.9(12) yes
C16 C36 C25 122.8(12) yes
C16 C37 C42 123.0(11) yes
C21 C38 C29 112.7(12) yes
N19 C39 C10 127.5(12) yes
C3 C40 C35 120.2(12) yes
C31 C41 C55 115.6(12) yes
C37 C42 C66 119.8(12) yes
C60 C43 C61 114.2(12) yes
C23 C44 C50 121.8(13) yes
N12 C45 C3 129.1(11) yes
C6 C46 C7 114.1(13) yes
C18 C48 C60 113.7(11) yes
C8 C50 C44 121.1(12) yes
C41 C55 C56 114.8(12) yes
C55 C56 C57 115.4(12) yes
C56 C57 C58 112.6(12) yes
C57 C58 C59 115.4(12) yes
C58 C59 C70 112.9(13) yes
C43 C60 C48 111.9(11) yes
C43 C61 C62 115.0(13) yes
C61 C62 C63 117.0(12) yes
C62 C63 C64 120.0(13) yes
C63 C64 C65 114.3(11) yes
C21 C65 C64 111.1(12) yes
O53 C66 C25 124.5(10) yes
O53 C66 C42 116.8(11) yes
C25 C66 C42 118.6(11) yes
C13 C67 C68 118.5(11) yes
C67 C68 C69 120.8(12) yes
C20 C69 C68 122.0(12) yes
C7 C70 C59 116.6(15) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 O26 1.999(7) yes
Pt1 O53 1.998(8) yes
Pt1 N4 2.033(10) yes
Pt1 N14 2.017(10) yes
Pt2 O51 2.003(9) yes
Pt2 O52 1.978(9) yes
Pt2 N12 2.031(9) yes
Pt2 N19 2.043(10) yes
O26 C20 1.308(14) yes
O51 C8 1.317(13) yes
O52 C15 1.319(16) yes
O53 C66 1.306(15) yes
N4 N28 1.457(14) yes
N4 C30 1.285(14) yes
N12 N49 1.456(15) yes
N12 C45 1.303(16) yes
N14 N54 1.454(13) yes
N14 C17 1.308(15) yes
N19 N47 1.463(17) yes
N19 C39 1.303(17) yes
N28 C18 1.464(17) yes
N28 C22 1.464(16) yes
N47 C6 1.473(16) yes
N47 C11 1.431(17) yes
N49 C5 1.452(16) yes
N49 C33 1.462(17) yes
N54 C29 1.485(18) yes
N54 C34 1.449(17) yes
C3 C15 1.414(18) yes
C3 C40 1.426(17) yes
C3 C45 1.42(2) yes
C5 C31 1.535(18) yes
C6 C46 1.488(19) yes
C7 C46 1.53(2) yes
C7 C70 1.50(2) yes
C8 C10 1.405(17) yes
C8 C50 1.423(19) yes
C9 C13 1.407(17) yes
C9 C20 1.422(18) yes
C9 C30 1.419(17) yes
C10 C27 1.429(18) yes
C10 C39 1.41(2) yes
C13 C67 1.367(18) yes
C15 C24 1.39(2) yes
C16 C36 1.380(17) yes
C16 C37 1.385(19) yes
C17 C25 1.431(16) yes
C18 C48 1.505(19) yes
C20 C69 1.408(17) yes
C21 C38 1.53(2) yes
C21 C65 1.506(18) yes
C23 C27 1.37(2) yes
C23 C44 1.385(18) yes
C24 C32 1.383(18) yes
C25 C36 1.404(18) yes
C25 C66 1.410(17) yes
C29 C38 1.481(19) yes
C31 C41 1.491(18) yes
C32 C35 1.391(19) yes
C35 C40 1.40(2) yes
C37 C42 1.373(18) yes
C41 C55 1.51(2) yes
C42 C66 1.418(16) yes
C43 C60 1.539(19) yes
C43 C61 1.555(18) yes
C44 C50 1.355(17) yes
C48 C60 1.525(18) yes
C55 C56 1.510(19) yes
C56 C57 1.53(2) yes
C57 C58 1.51(2) yes
C58 C59 1.53(2) yes
C59 C70 1.48(2) yes
C61 C62 1.47(2) yes
C62 C63 1.56(2) yes
C63 C64 1.45(2) yes
C64 C65 1.58(2) yes
C67 C68 1.403(18) yes
C68 C69 1.357(17) yes
