#------------------------------------------------------------------------------
#$Date: 2016-10-08 01:19:28 +0300 (Sat, 08 Oct 2016) $
#$Revision: 187126 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/99/7039945.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_7039945
loop_
_publ_author_name
'Kar, Paramita'
'Yoshida, Masaki'
'Kobayashi, Atsushi'
'Routaboul, Lucie'
'Braunstein, Pierre'
'Kato, Masako'
_publ_section_title
;
 Colour tuning by the stepwise synthesis of mononuclear and homo- and
 hetero-dinuclear platinum(ii) complexes using a zwitterionic quinonoid
 ligand.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14080
_journal_page_last               14088
_journal_paper_doi               10.1039/c6dt02328b
_journal_volume                  45
_journal_year                    2016
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C30 H24 N4 O2 Pd1 Pt1'
_chemical_formula_sum            'C30 H24 N4 O2 Pd Pt'
_chemical_formula_weight         774.02
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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_update_record
;
2016-04-04 deposited with the CCDC.
2016-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 95.090(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   12.039(4)
_cell_length_b                   23.158(7)
_cell_length_c                   17.699(5)
_cell_measurement_reflns_used    9461
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.9
_cell_measurement_theta_min      3
_cell_measurement_wavelength     0.68900
_cell_volume                     4915(3)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.68900
_diffrn_reflns_av_R_equivalents  0.0745
_diffrn_reflns_av_unetI/netI     0.0725
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29961
_diffrn_reflns_theta_full        25.83
_diffrn_reflns_theta_max         25.83
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    6.456
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.227
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.092
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2976
_exptl_crystal_size_max          0.317
_exptl_crystal_size_mid          0.142
_exptl_crystal_size_min          0.017
_refine_diff_density_max         3.913
_refine_diff_density_min         -2.563
_refine_diff_density_rms         0.258
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     697
_refine_ls_number_reflns         10247
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0909P)²+11.8693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1492
_refine_ls_wR_factor_ref         0.1702
_reflns_number_gt                8015
_reflns_number_total             10247
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c6dt02328b2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7039943--7039945.cif.
;
_cod_original_cell_volume        4915(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7039945
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1A Pt 0.08978(3) 0.232743(15) 0.67665(2) 0.02039(13) Uani 0.5 1 d P
Pd1A Pd 0.61710(4) 0.026762(17) 0.73471(3) 0.02690(14) Uani 0.5 1 d P
Pt2A Pt 0.40087(3) -0.069582(15) 0.77133(2) 0.01955(12) Uani 0.5 1 d P
Pd2A Pd -0.14281(4) 0.126079(17) 0.70936(2) 0.02455(13) Uani 0.5 1 d P
Pd1B Pd 0.08978(3) 0.232743(15) 0.67665(2) 0.02039(13) Uani 0.5 1 d P
Pt1B Pt 0.61710(4) 0.026762(17) 0.73471(3) 0.02690(14) Uani 0.5 1 d P
Pd2B Pd 0.40087(3) -0.069582(15) 0.77133(2) 0.01955(12) Uani 0.5 1 d P
Pt2B Pt -0.14281(4) 0.126079(17) 0.70936(2) 0.02455(13) Uani 0.5 1 d P
O4 O 0.2893(5) -0.0229(2) 0.8335(3) 0.0254(12) Uani 1 1 d .
O2 O 0.4987(5) 0.0679(2) 0.7969(3) 0.0252(12) Uani 1 1 d .
O1 O 0.1732(5) 0.1790(2) 0.7580(3) 0.0250(12) Uani 1 1 d .
N2 N 0.2002(6) 0.1930(3) 0.6141(4) 0.0279(16) Uani 1 1 d .
N5 N -0.2525(5) 0.1569(3) 0.7791(4) 0.0235(14) Uani 1 1 d .
N8 N 0.4918(6) -0.1011(3) 0.8625(4) 0.0257(15) Uani 1 1 d .
N7 N 0.3072(6) -0.0291(3) 0.6865(4) 0.0232(14) Uani 1 1 d .
N1 N -0.0149(6) 0.2656(3) 0.7484(5) 0.0263(15) Uani 1 1 d .
N4 N 0.7067(6) -0.0066(3) 0.8265(4) 0.0261(15) Uani 1 1 d .
N6 N -0.0339(5) 0.0842(3) 0.6471(4) 0.0210(13) Uani 1 1 d .
N3 N 0.5322(6) 0.0733(2) 0.6505(4) 0.0216(14) Uani 1 1 d .
C13 C 0.2602(7) 0.1554(3) 0.7341(5) 0.0257(17) Uani 1 1 d .
C12 C 0.2780(7) 0.1624(3) 0.6524(5) 0.0240(17) Uani 1 1 d .
C17 C 0.3696(7) 0.1353(3) 0.6251(5) 0.0259(17) Uani 1 1 d .
H17 H 0.3821 0.1401 0.5732 0.031 Uiso 1 1 calc R
C16 C 0.4436(7) 0.1012(3) 0.6708(5) 0.0235(16) Uani 1 1 d .
C15 C 0.4256(7) 0.0965(3) 0.7544(5) 0.0240(17) Uani 1 1 d .
C14 C 0.3362(7) 0.1228(3) 0.7819(5) 0.0242(17) Uani 1 1 d .
H14 H 0.3249 0.119 0.8342 0.029 Uiso 1 1 calc R
C42 C 0.0492(6) 0.0562(3) 0.6872(4) 0.0201(15) Uani 1 1 d .
C43 C 0.0382(7) 0.0563(3) 0.7713(5) 0.0232(16) Uani 1 1 d .
C44 C 0.1200(7) 0.0274(3) 0.8184(5) 0.0269(18) Uani 1 1 d .
H44 H 0.1131 0.0265 0.8714 0.032 Uiso 1 1 calc R
C45 C 0.2087(7) 0.0005(3) 0.7912(5) 0.0239(17) Uani 1 1 d .
C46 C 0.2182(7) -0.0012(3) 0.7073(5) 0.0243(17) Uani 1 1 d .
C47 C 0.1356(7) 0.0273(3) 0.6597(5) 0.0246(17) Uani 1 1 d .
H47 H 0.1404 0.0265 0.6065 0.029 Uiso 1 1 calc R
C26 C 0.8044(7) -0.0323(3) 0.8136(6) 0.0288(19) Uani 1 1 d .
C25 C 0.8161(7) -0.0419(3) 0.7334(5) 0.0275(18) Uani 1 1 d .
C57 C 0.6546(7) -0.1547(4) 0.9090(6) 0.032(2) Uani 1 1 d .
H57 H 0.7167 -0.178 0.8996 0.039 Uiso 1 1 calc R
C58 C 0.6359(8) -0.1410(4) 0.9816(6) 0.039(2) Uani 1 1 d .
H58 H 0.6851 -0.1543 1.0228 0.046 Uiso 1 1 calc R
C59 C 0.5435(9) -0.1073(4) 0.9947(6) 0.039(2) Uani 1 1 d .
H59 H 0.5295 -0.0974 1.0451 0.047 Uiso 1 1 calc R
C60 C 0.4747(7) -0.0888(4) 0.9359(5) 0.0304(19) Uani 1 1 d .
H60 H 0.4116 -0.0664 0.9457 0.037 Uiso 1 1 calc R
C56 C 0.5831(7) -0.1346(3) 0.8484(5) 0.0264(18) Uani 1 1 d .
C55 C 0.5879(7) -0.1467(3) 0.7675(5) 0.0288(19) Uani 1 1 d .
C50 C 0.5015(7) -0.1216(3) 0.7189(5) 0.0278(18) Uani 1 1 d .
C51 C 0.4960(8) -0.1385(3) 0.6431(6) 0.033(2) Uani 1 1 d .
H51 H 0.4355 -0.1252 0.6095 0.04 Uiso 1 1 calc R
C29 C 0.7524(7) -0.0110(3) 0.9609(5) 0.0298(18) Uani 1 1 d .
H29 H 0.7331 -0.0036 1.0108 0.036 Uiso 1 1 calc R
C30 C 0.6814(8) 0.0039(4) 0.8978(6) 0.034(2) Uani 1 1 d .
H30 H 0.6125 0.0221 0.9052 0.041 Uiso 1 1 calc R
C20 C 0.7300(6) -0.0180(3) 0.6828(5) 0.0232(17) Uani 1 1 d .
C21 C 0.7301(8) -0.0292(4) 0.6039(5) 0.0318(19) Uani 1 1 d .
H21 H 0.6703 -0.0169 0.569 0.038 Uiso 1 1 calc R
C41 C -0.2512(7) 0.1411(3) 0.8508(5) 0.0244(16) Uani 1 1 d .
H41 H -0.1929 0.1167 0.8717 0.029 Uiso 1 1 calc R
C31 C -0.2320(7) 0.1772(3) 0.6356(5) 0.0229(16) Uani 1 1 d .
C32 C -0.2131(7) 0.1921(3) 0.5618(5) 0.0285(18) Uani 1 1 d .
H32 H -0.1492 0.1775 0.5404 0.034 Uiso 1 1 calc R
C36 C -0.3223(7) 0.2048(3) 0.6664(5) 0.0248(17) Uani 1 1 d .
C37 C -0.3349(7) 0.1924(3) 0.7471(5) 0.0264(17) Uani 1 1 d .
C4 C -0.1141(8) 0.3789(4) 0.5294(5) 0.037(2) Uani 1 1 d .
H4 H -0.1566 0.4085 0.5032 0.044 Uiso 1 1 calc R
C2 C 0.0368(8) 0.3091(3) 0.5362(5) 0.0296(19) Uani 1 1 d .
H2 H 0.0983 0.2924 0.5141 0.036 Uiso 1 1 calc R
C1 C 0.0127(7) 0.2911(3) 0.6073(5) 0.0294(18) Uani 1 1 d .
C3 C -0.0281(8) 0.3519(4) 0.4953(5) 0.035(2) Uani 1 1 d .
H3 H -0.013 0.362 0.4453 0.042 Uiso 1 1 calc R
C6 C -0.0755(8) 0.3200(4) 0.6402(5) 0.032(2) Uani 1 1 d .
C5 C -0.1370(8) 0.3630(4) 0.5999(6) 0.036(2) Uani 1 1 d .
H5 H -0.1963 0.3814 0.6226 0.043 Uiso 1 1 calc R
C8 C -0.1690(8) 0.3273(4) 0.7642(6) 0.037(2) Uani 1 1 d .
H8 H -0.2223 0.3546 0.7435 0.045 Uiso 1 1 calc R
C7 C -0.0917(7) 0.3041(3) 0.7181(5) 0.0287(19) Uani 1 1 d .
C11 C -0.0158(8) 0.2490(3) 0.8206(6) 0.034(2) Uani 1 1 d .
H11 H 0.0369 0.221 0.8401 0.04 Uiso 1 1 calc R
C49 C 0.3295(7) -0.0259(3) 0.6067(5) 0.0275(18) Uani 1 1 d .
H49A H 0.2849 -0.0551 0.5777 0.041 Uiso 1 1 calc R
H49B H 0.4089 -0.033 0.6023 0.041 Uiso 1 1 calc R
H49C H 0.3096 0.0126 0.5868 0.041 Uiso 1 1 calc R
C48 C -0.0405(7) 0.0803(4) 0.5648(5) 0.0282(18) Uani 1 1 d .
H48A H 0.0131 0.1071 0.5453 0.042 Uiso 1 1 calc R
H48B H -0.1161 0.0903 0.5437 0.042 Uiso 1 1 calc R
H48C H -0.023 0.0408 0.5499 0.042 Uiso 1 1 calc R
C40 C -0.3321(7) 0.1589(4) 0.8965(5) 0.0317(19) Uani 1 1 d .
H40 H -0.3296 0.1471 0.948 0.038 Uiso 1 1 calc R
C39 C -0.4176(8) 0.1946(4) 0.8649(5) 0.033(2) Uani 1 1 d .
H39 H -0.4755 0.2067 0.8945 0.04 Uiso 1 1 calc R
C38 C -0.4173(7) 0.2121(3) 0.7909(5) 0.0307(19) Uani 1 1 d .
H38 H -0.4734 0.2377 0.7697 0.037 Uiso 1 1 calc R
C35 C -0.3945(8) 0.2419(4) 0.6249(5) 0.032(2) Uani 1 1 d .
H35 H -0.4545 0.2593 0.6478 0.038 Uiso 1 1 calc R
C34 C -0.3789(8) 0.2535(4) 0.5502(6) 0.039(2) Uani 1 1 d .
H34 H -0.4293 0.2779 0.5208 0.047 Uiso 1 1 calc R
C33 C -0.2877(8) 0.2288(4) 0.5182(5) 0.035(2) Uani 1 1 d .
H33 H -0.2759 0.2368 0.4669 0.043 Uiso 1 1 calc R
C54 C 0.6668(8) -0.1818(4) 0.7407(6) 0.034(2) Uani 1 1 d .
H54 H 0.7249 -0.1973 0.7746 0.04 Uiso 1 1 calc R
C53 C 0.6621(8) -0.1954(4) 0.6616(6) 0.042(2) Uani 1 1 d .
H53 H 0.7178 -0.2188 0.6422 0.05 Uiso 1 1 calc R
C52 C 0.5758(8) -0.1740(4) 0.6147(6) 0.039(2) Uani 1 1 d .
H52 H 0.5701 -0.1835 0.5622 0.047 Uiso 1 1 calc R
C19 C 0.5620(7) 0.0820(4) 0.5740(5) 0.0320(19) Uani 1 1 d .
H19A H 0.5077 0.0624 0.5383 0.048 Uiso 1 1 calc R
H19B H 0.6365 0.0662 0.5693 0.048 Uiso 1 1 calc R
H19C H 0.5618 0.1235 0.5626 0.048 Uiso 1 1 calc R
C24 C 0.9024(7) -0.0719(4) 0.7070(6) 0.033(2) Uani 1 1 d .
H24 H 0.9598 -0.0867 0.742 0.04 Uiso 1 1 calc R
C22 C 0.8222(9) -0.0595(4) 0.5792(6) 0.043(2) Uani 1 1 d .
H22 H 0.8263 -0.0654 0.5265 0.051 Uiso 1 1 calc R
C28 C 0.8532(8) -0.0373(4) 0.9479(6) 0.037(2) Uani 1 1 d .
H28 H 0.9048 -0.0476 0.9895 0.045 Uiso 1 1 calc R
C27 C 0.8773(8) -0.0481(4) 0.8754(6) 0.038(2) Uani 1 1 d .
H27 H 0.9453 -0.0667 0.867 0.045 Uiso 1 1 calc R
C18 C 0.2051(9) 0.1965(4) 0.5310(5) 0.036(2) Uani 1 1 d .
H18A H 0.2606 0.2254 0.5194 0.054 Uiso 1 1 calc R
H18B H 0.1318 0.2077 0.5069 0.054 Uiso 1 1 calc R
H18C H 0.226 0.1588 0.5116 0.054 Uiso 1 1 calc R
C23 C 0.9078(8) -0.0811(4) 0.6307(6) 0.036(2) Uani 1 1 d .
H23 H 0.9685 -0.1018 0.6131 0.043 Uiso 1 1 calc R
C10 C -0.0914(8) 0.2713(4) 0.8683(6) 0.038(2) Uani 1 1 d .
H10 H -0.0896 0.2593 0.9197 0.046 Uiso 1 1 calc R
C9 C -0.1692(8) 0.3112(4) 0.8391(7) 0.040(2) Uani 1 1 d .
H9 H -0.2218 0.3273 0.8702 0.048 Uiso 1 1 calc R
O3 O -0.0463(5) 0.0809(2) 0.7953(3) 0.0259(12) Uani 1 1 d .
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)
;
Pd Pd -0.9988 1.0072
;
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
C1 Pt1A N1 81.3(3)
C1 Pt1A N2 105.3(3)
N1 Pt1A N2 173.4(3)
C1 Pt1A O1 173.7(3)
N1 Pt1A O1 94.6(3)
N2 Pt1A O1 78.9(2)
C20 Pd1A N4 80.5(3)
C20 Pd1A N3 104.8(3)
N4 Pd1A N3 170.5(3)
C20 Pd1A O2 174.8(3)
N4 Pd1A O2 95.2(3)
N3 Pd1A O2 79.9(2)
C50 Pt2A N8 81.0(3)
C50 Pt2A N7 104.8(3)
N8 Pt2A N7 173.2(3)
C50 Pt2A O4 173.5(3)
N8 Pt2A O4 95.4(2)
N7 Pt2A O4 79.1(2)
C31 Pd2A N5 81.2(3)
C31 Pd2A N6 105.3(3)
N5 Pd2A N6 171.8(3)
C31 Pd2A O3 173.2(3)
N5 Pd2A O3 94.7(3)
N6 Pd2A O3 79.3(2)
C45 O4 Pt2A 113.2(5)
C15 O2 Pd1A 112.7(5)
C13 O1 Pt1A 112.4(5)
C12 N2 C18 116.9(7)
C12 N2 Pt1A 115.9(6)
C18 N2 Pt1A 127.2(6)
C41 N5 C37 120.7(7)
C41 N5 Pd2A 122.6(5)
C37 N5 Pd2A 116.6(6)
C60 N8 C56 118.6(7)
C60 N8 Pt2A 124.9(6)
C56 N8 Pt2A 116.3(6)
C46 N7 C49 117.7(7)
C46 N7 Pt2A 115.3(5)
C49 N7 Pt2A 127.0(5)
C11 N1 C7 120.3(8)
C11 N1 Pt1A 123.5(6)
C7 N1 Pt1A 116.1(6)
C30 N4 C26 120.6(8)
C30 N4 Pd1A 122.4(6)
C26 N4 Pd1A 116.2(6)
C42 N6 C48 118.1(6)
C42 N6 Pd2A 115.5(5)
C48 N6 Pd2A 126.3(5)
C16 N3 C19 117.3(7)
C16 N3 Pd1A 115.0(6)
C19 N3 Pd1A 127.5(5)
O1 C13 C14 122.3(8)
O1 C13 C12 117.7(7)
C14 C13 C12 120.0(7)
N2 C12 C17 128.0(8)
N2 C12 C13 113.7(7)
C17 C12 C13 118.3(8)
C12 C17 C16 122.6(8)
C12 C17 H17 118.7
C16 C17 H17 118.7
N3 C16 C17 127.4(8)
N3 C16 C15 114.7(7)
C17 C16 C15 117.9(7)
O2 C15 C14 122.7(8)
O2 C15 C16 117.2(7)
C14 C15 C16 120.1(7)
C15 C14 C13 121.0(8)
C15 C14 H14 119.5
C13 C14 H14 119.5
N6 C42 C47 127.3(7)
N6 C42 C43 113.2(7)
C47 C42 C43 119.4(7)
O3 C43 C44 123.7(7)
O3 C43 C42 118.3(7)
C44 C43 C42 117.9(7)
C45 C44 C43 122.7(8)
C45 C44 H44 118.7
C43 C44 H44 118.7
O4 C45 C44 124.1(8)
O4 C45 C46 116.3(7)
C44 C45 C46 119.6(8)
N7 C46 C47 127.2(8)
N7 C46 C45 115.0(7)
C47 C46 C45 117.8(7)
C42 C47 C46 122.6(8)
C42 C47 H47 118.7
C46 C47 H47 118.7
N4 C26 C27 118.7(9)
N4 C26 C25 113.0(8)
C27 C26 C25 128.3(8)
C24 C25 C20 121.2(9)
C24 C25 C26 123.5(8)
C20 C25 C26 115.3(7)
C58 C57 C56 120.5(8)
C58 C57 H57 119.8
C56 C57 H57 119.8
C57 C58 C59 119.2(9)
C57 C58 H58 120.4
C59 C58 H58 120.4
C60 C59 C58 119.7(9)
C60 C59 H59 120.1
C58 C59 H59 120.1
C59 C60 N8 122.6(8)
C59 C60 H60 118.7
N8 C60 H60 118.7
N8 C56 C57 119.5(8)
N8 C56 C55 112.6(7)
C57 C56 C55 127.9(8)
C54 C55 C50 121.9(9)
C54 C55 C56 122.8(8)
C50 C55 C56 115.2(8)
C51 C50 C55 116.1(8)
C51 C50 Pt2A 129.7(7)
C55 C50 Pt2A 114.1(7)
C52 C51 C50 122.6(9)
C52 C51 H51 118.7
C50 C51 H51 118.7
C30 C29 C28 117.4(9)
C30 C29 H29 121.3
C28 C29 H29 121.3
N4 C30 C29 122.3(8)
N4 C30 H30 118.8
C29 C30 H30 118.8
C25 C20 C21 118.9(7)
C25 C20 Pd1A 113.6(6)
C21 C20 Pd1A 127.4(6)
C22 C21 C20 117.6(9)
C22 C21 H21 121.2
C20 C21 H21 121.2
N5 C41 C40 122.0(8)
N5 C41 H41 119
C40 C41 H41 119
C32 C31 C36 116.6(7)
C32 C31 Pd2A 129.5(6)
C36 C31 Pd2A 113.7(6)
C31 C32 C33 120.9(8)
C31 C32 H32 119.6
C33 C32 H32 119.6
C35 C36 C31 122.9(8)
C35 C36 C37 121.3(8)
C31 C36 C37 115.8(7)
N5 C37 C38 119.4(8)
N5 C37 C36 112.6(7)
C38 C37 C36 128.0(8)
C5 C4 C3 119.8(9)
C5 C4 H4 120.1
C3 C4 H4 120.1
C1 C2 C3 121.6(9)
C1 C2 H2 119.2
C3 C2 H2 119.2
C2 C1 C6 117.1(8)
C2 C1 Pt1A 129.8(7)
C6 C1 Pt1A 113.0(7)
C4 C3 C2 119.4(9)
C4 C3 H3 120.3
C2 C3 H3 120.3
C5 C6 C1 120.5(9)
C5 C6 C7 123.6(9)
C1 C6 C7 115.8(8)
C4 C5 C6 121.5(9)
C4 C5 H5 119.3
C6 C5 H5 119.3
C9 C8 C7 121.1(8)
C9 C8 H8 119.5
C7 C8 H8 119.5
N1 C7 C8 119.0(9)
N1 C7 C6 113.3(8)
C8 C7 C6 127.4(8)
N1 C11 C10 122.2(8)
N1 C11 H11 118.9
C10 C11 H11 118.9
N7 C49 H49A 109.5
N7 C49 H49B 109.5
H49A C49 H49B 109.5
N7 C49 H49C 109.5
H49A C49 H49C 109.5
H49B C49 H49C 109.5
N6 C48 H48A 109.5
N6 C48 H48B 109.5
H48A C48 H48B 109.5
N6 C48 H48C 109.5
H48A C48 H48C 109.5
H48B C48 H48C 109.5
C41 C40 C39 118.3(9)
C41 C40 H40 120.8
C39 C40 H40 120.8
C38 C39 C40 119.5(8)
C38 C39 H39 120.2
C40 C39 H39 120.2
C39 C38 C37 119.9(8)
C39 C38 H38 120
C37 C38 H38 120
C34 C35 C36 119.8(8)
C34 C35 H35 120.1
C36 C35 H35 120.1
C35 C34 C33 119.1(9)
C35 C34 H34 120.4
C33 C34 H34 120.4
C34 C33 C32 120.5(9)
C34 C33 H33 119.8
C32 C33 H33 119.8
C55 C54 C53 120.1(9)
C55 C54 H54 120
C53 C54 H54 120
C52 C53 C54 118.6(9)
C52 C53 H53 120.7
C54 C53 H53 120.7
C53 C52 C51 120.4(10)
C53 C52 H52 119.8
C51 C52 H52 119.8
N3 C19 H19A 109.5
N3 C19 H19B 109.5
H19A C19 H19B 109.5
N3 C19 H19C 109.5
H19A C19 H19C 109.5
H19B C19 H19C 109.5
C25 C24 C23 121.2(9)
C25 C24 H24 119.4
C23 C24 H24 119.4
C23 C22 C21 121.7(9)
C23 C22 H22 119.1
C21 C22 H22 119.1
C27 C28 C29 119.7(9)
C27 C28 H28 120.2
C29 C28 H28 120.2
C28 C27 C26 121.4(9)
C28 C27 H27 119.3
C26 C27 H27 119.3
N2 C18 H18A 109.5
N2 C18 H18B 109.5
H18A C18 H18B 109.5
N2 C18 H18C 109.5
H18A C18 H18C 109.5
H18B C18 H18C 109.5
C24 C23 C22 119.1(8)
C24 C23 H23 120.5
C22 C23 H23 120.5
C9 C10 C11 118.6(10)
C9 C10 H10 120.7
C11 C10 H10 120.7
C8 C9 C10 118.8(9)
C8 C9 H9 120.6
C10 C9 H9 120.6
C43 O3 Pd2A 112.8(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pt1A C1 1.997(8)
Pt1A N1 2.016(7)
Pt1A N2 2.024(7)
Pt1A O1 2.092(5)
Pd1A C20 1.996(7)
Pd1A N4 2.023(7)
Pd1A N3 2.039(7)
Pd1A O2 2.105(5)
Pt2A C50 1.995(8)
Pt2A N8 2.006(7)
Pt2A N7 2.026(7)
Pt2A O4 2.108(6)
Pd2A C31 2.003(8)
Pd2A N5 2.017(6)
Pd2A N6 2.032(6)
Pd2A O3 2.107(5)
O4 C45 1.292(9)
O2 C15 1.289(10)
O1 C13 1.286(10)
N2 C12 1.313(11)
N2 C18 1.481(11)
N5 C41 1.319(11)
N5 C37 1.372(11)
N8 C60 1.363(11)
N8 C56 1.386(11)
N7 C46 1.330(10)
N7 C49 1.461(10)
N1 C11 1.336(12)
N1 C7 1.359(10)
N4 C30 1.346(12)
N4 C26 1.356(11)
N6 C42 1.341(10)
N6 C48 1.455(10)
N3 C16 1.324(10)
N3 C19 1.445(11)
C13 C14 1.409(11)
C13 C12 1.491(12)
C12 C17 1.392(11)
C17 C16 1.394(11)
C17 H17 0.95
C16 C15 1.518(11)
C15 C14 1.364(12)
C14 H14 0.95
C42 C47 1.362(11)
C42 C43 1.505(11)
C43 O3 1.272(10)
C43 C44 1.403(12)
C44 C45 1.360(11)
C44 H44 0.95
C45 C46 1.500(11)
C46 C47 1.410(11)
C47 H47 0.95
C26 C27 1.389(13)
C26 C25 1.457(13)
C25 C24 1.368(12)
C25 C20 1.420(12)
C57 C58 1.361(14)
C57 C56 1.394(12)
C57 H57 0.95
C58 C59 1.396(13)
C58 H58 0.95
C59 C60 1.342(13)
C59 H59 0.95
C60 H60 0.95
C56 C55 1.463(13)
C55 C54 1.368(12)
C55 C50 1.415(12)
C50 C51 1.393(13)
C51 C52 1.392(12)
C51 H51 0.95
C29 C30 1.387(13)
C29 C28 1.394(12)
C29 H29 0.95
C30 H30 0.95
C20 C21 1.420(12)
C21 C22 1.414(13)
C21 H21 0.95
C41 C40 1.383(12)
C41 H41 0.95
C31 C32 1.388(11)
C31 C36 1.411(11)
C32 C33 1.414(12)
C32 H32 0.95
C36 C35 1.386(12)
C36 C37 1.477(12)
C37 C38 1.390(12)
C4 C5 1.354(14)
C4 C3 1.392(13)
C4 H4 0.95
C2 C1 1.381(13)
C2 C3 1.421(12)
C2 H2 0.95
C1 C6 1.422(13)
C3 H3 0.95
C6 C5 1.398(12)
C6 C7 1.456(13)
C5 H5 0.95
C8 C9 1.378(15)
C8 C7 1.399(13)
C8 H8 0.95
C11 C10 1.395(13)
C11 H11 0.95
C49 H49A 0.98
C49 H49B 0.98
C49 H49C 0.98
C48 H48A 0.98
C48 H48B 0.98
C48 H48C 0.98
C40 C39 1.398(12)
C40 H40 0.95
C39 C38 1.371(13)
C39 H39 0.95
C38 H38 0.95
C35 C34 1.377(13)
C35 H35 0.95
C34 C33 1.401(13)
C34 H34 0.95
C33 H33 0.95
C54 C53 1.430(14)
C54 H54 0.95
C53 C52 1.365(14)
C53 H53 0.95
C52 H52 0.95
C19 H19A 0.98
C19 H19B 0.98
C19 H19C 0.98
C24 C23 1.373(14)
C24 H24 0.95
C22 C23 1.406(15)
C22 H22 0.95
C28 C27 1.364(14)
C28 H28 0.95
C27 H27 0.95
C18 H18A 0.98
C18 H18B 0.98
C18 H18C 0.98
C23 H23 0.95
C10 C9 1.383(13)
C10 H10 0.95
C9 H9 0.95
