#------------------------------------------------------------------------------
#$Date: 2019-11-28 15:20:39 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244022 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/28/7702812.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_7702812
loop_
_publ_author_name
'Liu, Qinde'
'Thorne, Lisa'
'Kozin, Igor'
'Song, Datong'
'Seward, Corey'
'D'Iorio, Marie'
'Tao, Ye'
'Wang, Suning'
_publ_section_title
;
 New red--orange phosphorescent/electroluminescent cycloplatinated
 complexes of 2,6-bis(2′-indolyl)pyridine
;
_journal_issue                   16
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3234
_journal_paper_doi               10.1039/b201951e
_journal_year                    2002
_chemical_formula_sum            'C26 H18 N4 Pt'
_chemical_formula_weight         581.53
_chemical_name_common            Pt(BIP)Py
_chemical_name_systematic
;Pt(BIP)Py  
? 
;
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 124.408(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.264(3)
_cell_length_b                   17.951(3)
_cell_length_c                   14.900(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4251.0(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0267
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15589
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    6.622
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2240
_exptl_crystal_size_max          .1
_exptl_crystal_size_mid          .2
_exptl_crystal_size_min          .4
_refine_diff_density_max         2.863
_refine_diff_density_min         -3.439
_refine_diff_density_rms         0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.310
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         5143
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.310
_refine_ls_R_factor_all          0.1002
_refine_ls_R_factor_gt           0.0883
_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)+(0.0000P)²+221.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1789
_refine_ls_wR_factor_ref         0.1824
_reflns_number_gt                4202
_reflns_number_total             5143
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b201951e.txt
_cod_data_source_block           qd44g
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        4251.3(10)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7702812
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Pt1 Pt 0.25252(5) 0.0000 0.24182(7) 0.0458(2) Uani 1 2 d S
Pt2 Pt 0.5000 0.0000 0.5000 0.0375(3) Uani 1 4 d S
Pt3 Pt 0.0000 0.0000 0.0000 0.0467(3) Uani 1 4 d S
C1 C 0.2825(12) 0.0000 0.4588(16) 0.050(5) Uani 1 2 d S
H1 H 0.3389 0.0000 0.4833 0.060 Uiso 1 2 calc SR
C2 C 0.2611(17) 0.0000 0.532(2) 0.061(6) Uani 1 2 d S
H2 H 0.3039 0.0000 0.6063 0.073 Uiso 1 2 calc SR
C3 C 0.1853(16) 0.0000 0.504(2) 0.070(7) Uani 1 2 d S
H3 H 0.1718 0.0000 0.5546 0.084 Uiso 1 2 calc SR
C4 C 0.1267(18) 0.0000 0.399(2) 0.123(18) Uani 1 2 d S
H4 H 0.0705 0.0000 0.3747 0.147 Uiso 1 2 calc SR
C5 C 0.1453(13) 0.0000 0.3258(19) 0.095(13) Uani 1 2 d S
H5 H 0.1019 0.0000 0.2523 0.114 Uiso 1 2 calc SR
C6 C 0.2884(11) 0.0693(9) 0.0988(13) 0.055(4) Uani 1 1 d .
C7 C 0.3090(12) 0.0685(10) 0.0229(14) 0.063(5) Uani 1 1 d .
H7 H 0.3168 0.1127 -0.0028 0.076 Uiso 1 1 calc R
C8 C 0.318(2) 0.0000 -0.013(3) 0.082(8) Uiso 1 2 d S
H8 H 0.3299 0.0000 -0.0654 0.098 Uiso 1 2 calc SR
C9 C 0.2807(16) 0.1299(11) 0.1555(17) 0.082(7) Uani 1 1 d .
C10 C 0.255(2) 0.2074(18) 0.125(2) 0.044(6) Uiso 0.50 1 d P
C11 C 0.300(2) 0.204(2) 0.149(3) 0.056(8) Uiso 0.50 1 d P
C12 C 0.290(2) 0.240(2) 0.231(3) 0.054(7) Uiso 0.50 1 d P
C13 C 0.227(2) 0.2316(19) 0.183(3) 0.051(7) Uiso 0.50 1 d P
C14 C 0.272(2) 0.1715(19) 0.280(3) 0.047(7) Uiso 0.50 1 d P
C15 C 0.221(2) 0.181(2) 0.242(3) 0.061(8) Uiso 0.50 1 d P
C16 C 0.255(2) 0.192(2) 0.358(3) 0.052(7) Uiso 0.50 1 d P
C17 C 0.191(2) 0.183(2) 0.312(3) 0.055(8) Uiso 0.50 1 d P
C18 C 0.185(2) 0.252(2) 0.332(3) 0.065(9) Uiso 0.50 1 d P
C19 C 0.249(2) 0.265(2) 0.377(3) 0.065(9) Uiso 0.50 1 d P
C20 C 0.193(2) 0.321(2) 0.281(3) 0.066(9) Uiso 0.50 1 d P
C21 C 0.262(3) 0.326(2) 0.325(3) 0.073(10) Uiso 0.50 1 d P
C22 C 0.215(2) 0.319(2) 0.214(3) 0.062(9) Uiso 0.50 1 d P
C23 C 0.285(3) 0.313(3) 0.254(3) 0.075(11) Uiso 0.50 1 d P
C24 C 0.5086(15) 0.1001(15) 0.353(2) 0.033(5) Uiso 0.50 1 d P
C25 C 0.525(2) 0.101(2) 0.272(3) 0.040(8) Uiso 0.50 1 d P
C26 C 0.526(2) 0.0348(18) 0.236(2) 0.052(7) Uiso 0.50 1 d P
C27 C 0.5181(15) -0.0154(16) 0.3031(19) 0.042(6) Uiso 0.50 1 d P
C28 C 0.542(3) -0.118(2) 0.221(3) 0.070(10) Uiso 0.50 1 d P
C29 C 0.5440(19) 0.0000 0.160(2) 0.072(7) Uiso 1 2 d S
C30 C 0.554(2) -0.068(2) 0.156(3) 0.063(9) Uiso 0.50 1 d P
C31 C 0.428(2) 0.1544(19) 0.436(3) 0.050(7) Uiso 0.50 1 d P
C32 C 0.424(3) 0.234(2) 0.439(3) 0.070(10) Uiso 0.50 1 d P
C33 C 0.5000 0.2666(16) 0.5000 0.063(6) Uiso 1 2 d S
C34 C 0.506(2) 0.227(2) 0.426(3) 0.068(9) Uiso 0.50 1 d P
C35 C 0.501(2) 0.143(2) 0.419(3) 0.062(8) Uiso 0.50 1 d P
C36 C 0.520(3) -0.100(3) 0.293(4) 0.061(14) Uiso 0.50 1 d P
C37 C -0.0525(15) -0.1019(15) 0.1075(19) 0.033(5) Uiso 0.50 1 d P
C38 C -0.0749(14) 0.1048(13) 0.1705(18) 0.079(6) Uiso 1 1 d .
C39 C -0.095(2) 0.118(2) 0.228(3) 0.056(8) Uiso 0.50 1 d P
C40 C -0.108(3) 0.061(3) 0.290(3) 0.077(11) Uiso 0.50 1 d P
C41 C -0.0871(17) -0.0361(16) 0.207(2) 0.041(6) Uiso 0.50 1 d P
C42 C -0.1095(19) 0.0000 0.277(2) 0.072(7) Uiso 1 2 d S
C43 C -0.0721(15) 0.0178(14) 0.1469(19) 0.040(6) Uiso 0.50 1 d P
C44 C -0.0204(19) -0.1524(19) 0.061(2) 0.049(7) Uiso 0.50 1 d P
C45 C -0.0696(19) -0.1417(18) -0.073(2) 0.048(7) Uiso 0.50 1 d P
C46 C -0.028(2) -0.226(2) 0.055(3) 0.052(7) Uiso 0.50 1 d P
C47 C -0.072(2) -0.216(2) -0.077(3) 0.062(9) Uiso 0.50 1 d P
C48 C 0.0000 -0.2642(17) 0.0000 0.069(7) Uiso 1 2 d S
N1 N 0.2243(12) 0.0000 0.3548(14) 0.049(4) Uani 1 2 d S
N2 N 0.2816(11) 0.0000 0.1335(13) 0.046(4) Uani 1 2 d S
N3 N 0.2550(18) 0.1116(14) 0.2221(18) 0.125(9) Uani 1 1 d .
N4 N 0.5076(13) 0.0172(14) 0.3729(17) 0.047(6) Uiso 0.50 1 d P
N5 N 0.5000 0.1091(7) 0.5000 0.035(3) Uani 1 2 d S
N6 N -0.0500(15) -0.0249(13) 0.0860(18) 0.047(6) Uiso 0.50 1 d P
N7 N 0.0000 -0.1118(11) 0.0000 0.048(4) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N2 Pt1 N3 80.9(5) . 6
N2 Pt1 N3 80.9(5) . .
N3 Pt1 N3 161.7(10) 6 .
N2 Pt1 N1 179.2(7) . .
N3 Pt1 N1 99.1(5) 6 .
N3 Pt1 N1 99.1(5) . .
N5 Pt2 N5 180.000(1) . 5_656
N5 Pt2 N4 81.1(7) . 2_656
N5 Pt2 N4 98.9(7) 5_656 2_656
N5 Pt2 N4 98.9(7) . 5_656
N5 Pt2 N4 81.1(7) 5_656 5_656
N4 Pt2 N4 17.7(14) 2_656 5_656
N5 Pt2 N4 98.9(7) . 6
N5 Pt2 N4 81.1(7) 5_656 6
N4 Pt2 N4 180.000(2) 2_656 6
N4 Pt2 N4 162.3(14) 5_656 6
N5 Pt2 N4 81.1(7) . .
N5 Pt2 N4 98.9(7) 5_656 .
N4 Pt2 N4 162.3(14) 2_656 .
N4 Pt2 N4 180.000(2) 5_656 .
N4 Pt2 N4 17.7(14) 6 .
N7 Pt3 N7 180.0 . 5
N7 Pt3 N6 77.4(7) . 2
N7 Pt3 N6 102.6(7) 5 2
N7 Pt3 N6 102.6(7) . 5
N7 Pt3 N6 77.4(7) 5 5
N6 Pt3 N6 25.3(13) 2 5
N7 Pt3 N6 102.6(7) . 6
N7 Pt3 N6 77.4(7) 5 6
N6 Pt3 N6 180.0(15) 2 6
N6 Pt3 N6 154.7(13) 5 6
N7 Pt3 N6 77.4(7) . .
N7 Pt3 N6 102.6(7) 5 .
N6 Pt3 N6 154.7(13) 2 .
N6 Pt3 N6 180.0(15) 5 .
N6 Pt3 N6 25.3(13) 6 .
N1 C1 C2 120(2) . .
C3 C2 C1 123(2) . .
C2 C3 C4 117(3) . .
C3 C4 C5 122(3) . .
C4 C5 N1 122(2) . .
N2 C6 C7 115.0(16) . .
N2 C6 C9 113.6(14) . .
C7 C6 C9 131.1(16) . .
C8 C7 C6 118.5(19) . .
C7 C8 C7 124(3) . 6
N3 C9 C11 120(2) . .
N3 C9 C6 116.3(19) . .
C11 C9 C6 124(2) . .
N3 C9 C10 105(2) . .
C11 C9 C10 29.8(16) . .
C6 C9 C10 131.9(18) . .
C11 C10 C13 121(5) . .
C11 C10 C12 79(4) . .
C13 C10 C12 42.6(19) . .
C11 C10 C9 70(4) . .
C13 C10 C9 107(3) . .
C12 C10 C9 100(2) . .
C10 C11 C9 80(4) . .
C10 C11 C12 72(4) . .
C9 C11 C12 101(3) . .
C10 C11 C13 39(3) . .
C9 C11 C13 88(2) . .
C12 C11 C13 33.6(17) . .
C13 C12 C23 95(4) . .
C13 C12 C10 63(3) . .
C23 C12 C10 127(3) . .
C13 C12 C11 92(3) . .
C23 C12 C11 133(3) . .
C10 C12 C11 29.2(16) . .
C13 C12 C14 74(3) . .
C23 C12 C14 124(3) . .
C10 C12 C14 96(3) . .
C11 C12 C14 102(3) . .
C13 C12 C15 47(3) . .
C23 C12 C15 112(3) . .
C10 C12 C15 88(2) . .
C11 C12 C15 106(3) . .
C14 C12 C15 27.8(16) . .
C13 C12 C22 60(3) . .
C23 C12 C22 34(2) . .
C10 C12 C22 107(3) . .
C11 C12 C22 130(3) . .
C14 C12 C22 107(2) . .
C15 C12 C22 85(2) . .
C12 C13 C15 99(4) . .
C12 C13 C10 75(3) . .
C15 C13 C10 116(3) . .
C12 C13 C14 69(3) . .
C15 C13 C14 30.9(19) . .
C10 C13 C14 99(3) . .
C12 C13 C22 88(3) . .
C15 C13 C22 113(3) . .
C10 C13 C22 130(3) . .
C14 C13 C22 118(3) . .
C12 C13 C23 51(3) . .
C15 C13 C23 115(3) . .
C10 C13 C23 108(3) . .
C14 C13 C23 100(2) . .
C22 C13 C23 37.5(18) . .
C12 C13 C11 55(3) . .
C15 C13 C11 112(3) . .
C10 C13 C11 20.3(17) . .
C14 C13 C11 87(2) . .
C22 C13 C11 125(3) . .
C23 C13 C11 94(2) . .
C15 C14 N3 88(4) . .
C15 C14 C16 76(4) . .
N3 C14 C16 132(3) . .
C15 C14 C12 90(4) . .
N3 C14 C12 112(3) . .
C16 C14 C12 113(3) . .
C15 C14 C13 54(4) . .
N3 C14 C13 99(2) . .
C16 C14 C13 108(3) . .
C12 C14 C13 37.2(17) . .
C15 C14 C17 46(3) . .
N3 C14 C17 109(3) . .
C16 C14 C17 32.5(17) . .
C12 C14 C17 118(3) . .
C13 C14 C17 93(2) . .
C14 C15 C13 95(4) . .
C14 C15 C17 109(4) . .
C13 C15 C17 133(4) . .
C14 C15 C16 71(4) . .
C13 C15 C16 123(4) . .
C17 C15 C16 40.9(19) . .
C14 C15 N3 59(4) . .
C13 C15 N3 103(3) . .
C17 C15 N3 124(3) . .
C16 C15 N3 113(3) . .
C14 C15 C12 62(4) . .
C13 C15 C12 34.4(19) . .
C17 C15 C12 133(3) . .
C16 C15 C12 100(3) . .
N3 C15 C12 92(2) . .
C17 C16 C19 95(4) . .
C17 C16 C14 98(3) . .
C19 C16 C14 120(3) . .
C17 C16 C15 67(3) . .
C19 C16 C15 109(3) . .
C14 C16 C15 33.0(17) . .
C17 C16 C18 54(3) . .
C19 C16 C18 41(2) . .
C14 C16 C18 122(3) . .
C15 C16 C18 93(3) . .
C16 C17 C18 86(4) . .
C16 C17 C15 72(3) . .
C18 C17 C15 109(3) . .
C16 C17 C19 50(3) . .
C18 C17 C19 36(2) . .
C15 C17 C19 92(3) . .
C16 C17 C14 49(2) . .
C18 C17 C14 112(3) . .
C15 C17 C14 24.7(17) . .
C19 C17 C14 83(2) . .
C19 C18 C17 97(4) . .
C19 C18 C20 73(4) . .
C17 C18 C20 128(3) . .
C19 C18 C16 58(3) . .
C17 C18 C16 40(2) . .
C20 C18 C16 111(3) . .
C19 C18 C21 42(3) . .
C17 C18 C21 116(3) . .
C20 C18 C21 32(2) . .
C16 C18 C21 85(2) . .
C18 C19 C16 82(4) . .
C18 C19 C21 109(4) . .
C16 C19 C21 125(3) . .
C18 C19 C20 67(3) . .
C16 C19 C20 122(3) . .
C21 C19 C20 43(2) . .
C18 C19 C17 47(3) . .
C16 C19 C17 35.1(19) . .
C21 C19 C17 126(3) . .
C20 C19 C17 98(3) . .
C21 C20 C22 70(3) . .
C21 C20 C18 102(4) . .
C22 C20 C18 124(4) . .
C21 C20 C19 62(3) . .
C22 C20 C19 110(3) . .
C18 C20 C19 40(2) . .
C21 C20 C23 40(3) . .
C22 C20 C23 31(2) . .
C18 C20 C23 114(3) . .
C19 C20 C23 85(3) . .
C20 C21 C23 109(4) . .
C20 C21 C22 62(3) . .
C23 C21 C22 48(3) . .
C20 C21 C19 75(4) . .
C23 C21 C19 121(4) . .
C22 C21 C19 113(4) . .
C20 C21 C18 46(3) . .
C23 C21 C18 119(3) . .
C22 C21 C18 91(3) . .
C19 C21 C18 29(2) . .
C23 C22 C20 113(4) . .
C23 C22 C21 66(3) . .
C20 C22 C21 48(2) . .
C23 C22 C13 76(3) . .
C20 C22 C13 112(3) . .
C21 C22 C13 108(3) . .
C23 C22 C12 44(3) . .
C20 C22 C12 117(3) . .
C21 C22 C12 89(3) . .
C13 C22 C12 31.4(15) . .
C22 C23 C21 66(3) . .
C22 C23 C12 101(4) . .
C21 C23 C12 117(4) . .
C22 C23 C13 67(3) . .
C21 C23 C13 103(3) . .
C12 C23 C13 35(2) . .
C22 C23 C20 36(2) . .
C21 C23 C20 31(2) . .
C12 C23 C20 108(3) . .
C13 C23 C20 82(2) . .
C36 C24 C35 145(4) 6 .
C36 C24 C25 2(4) 6 .
C35 C24 C25 143(3) . .
C36 C24 N4 101(4) 6 .
C35 C24 N4 114(2) . .
C25 C24 N4 103(2) . .
C36 C24 C27 60(3) 6 6
C35 C24 C27 155(3) . 6
C25 C24 C27 62(2) . 6
N4 C24 C27 41.2(12) . 6
C36 C25 C28 168(10) 6 6
C36 C25 C26 109(10) 6 .
C28 C25 C26 83(4) 6 .
C36 C25 C24 4(10) 6 .
C28 C25 C24 163(5) 6 .
C26 C25 C24 114(3) . .
C36 C25 C27 65(10) 6 6
C28 C25 C27 126(4) 6 6
C26 C25 C27 44.2(19) . 6
C24 C25 C27 70(2) . 6
C27 C26 C26 72(2) 6 6
C27 C26 C25 83(3) 6 .
C26 C26 C25 155(2) 6 .
C27 C26 C27 22(2) 6 .
C26 C26 C27 50.6(16) 6 .
C25 C26 C27 105(3) . .
C27 C26 C36 69(3) 6 6
C26 C26 C36 141(2) 6 6
C25 C26 C36 14(3) . 6
C27 C26 C36 91(3) . 6
C27 C26 C29 137(3) 6 .
C26 C26 C29 65.3(13) 6 .
C25 C26 C29 139(3) . .
C27 C26 C29 116(2) . .
C36 C26 C29 153(3) 6 .
C27 C26 C28 123(3) 6 6
C26 C26 C28 162.7(18) 6 6
C25 C26 C28 41(2) . 6
C27 C26 C28 144(3) . 6
C36 C26 C28 55(2) 6 6
C29 C26 C28 98(2) . 6
C27 C26 C30 170(3) 6 6
C26 C26 C30 110.6(17) 6 6
C25 C26 C30 93(3) . 6
C27 C26 C30 159(3) . 6
C36 C26 C30 107(3) 6 6
C29 C26 C30 45.6(16) . 6
C28 C26 C30 53(2) 6 6
C27 C27 C26 108(2) 6 6
C27 C27 N4 91.6(19) 6 6
C26 C27 N4 161(3) 6 6
C27 C27 N4 63.4(16) 6 .
C26 C27 N4 171(3) 6 .
N4 C27 N4 28(2) 6 .
C27 C27 C26 50.6(16) 6 .
C26 C27 C26 57(3) 6 .
N4 C27 C26 142(3) 6 .
N4 C27 C26 114(3) . .
C27 C27 C36 174(2) 6 .
C26 C27 C36 66(3) 6 .
N4 C27 C36 95(3) 6 .
N4 C27 C36 123(3) . .
C26 C27 C36 123(3) . .
C27 C27 C25 160.5(16) 6 6
C26 C27 C25 53(2) 6 6
N4 C27 C25 108(3) 6 6
N4 C27 C25 136(3) . 6
C26 C27 C25 110(2) . 6
C36 C27 C25 13(2) . 6
C27 C27 C24 150.5(11) 6 6
C26 C27 C24 102(3) 6 6
N4 C27 C24 59.0(18) 6 6
N4 C27 C24 87.1(18) . 6
C26 C27 C24 159(2) . 6
C36 C27 C24 35.9(19) . 6
C25 C27 C24 49.0(17) 6 6
C25 C28 C36 3(4) 6 .
C25 C28 C30 124(5) 6 .
C36 C28 C30 127(4) . .
C25 C28 C26 57(3) 6 6
C36 C28 C26 60(3) . 6
C30 C28 C26 67(3) . 6
C30 C29 C30 158(4) . 6
C30 C29 C26 124(3) . .
C30 C29 C26 75(2) 6 .
C30 C29 C26 75(2) . 6
C30 C29 C26 124(3) 6 6
C26 C29 C26 49(3) . 6
C29 C30 C28 120(3) . .
C29 C30 C26 60(2) . 6
C28 C30 C26 60(2) . 6
N5 C31 C32 127(3) . .
N5 C31 C35 53.6(18) . .
C32 C31 C35 101(3) . .
N5 C31 C35 48.5(15) . 2_656
C32 C31 C35 96(3) . 2_656
C35 C31 C35 92(2) . 2_656
C33 C32 C31 114(4) . .
C33 C32 C34 53(2) . 2_656
C31 C32 C34 87(3) . 2_656
C33 C32 C34 52(2) . .
C31 C32 C34 82(3) . .
C34 C32 C34 88(3) 2_656 .
C32 C33 C32 128(4) . 2_656
C32 C33 C34 77(2) . .
C32 C33 C34 76(2) 2_656 .
C32 C33 C34 76(2) . 2_656
C32 C33 C34 77(2) 2_656 2_656
C34 C33 C34 118(4) . 2_656
C33 C34 C35 123(3) . .
C33 C34 C32 51.0(19) . 2_656
C35 C34 C32 97(3) . 2_656
C33 C34 C32 50.6(19) . .
C35 C34 C32 93(3) . .
C32 C34 C32 91(3) 2_656 .
C24 C35 N5 118(3) . .
C24 C35 C34 127(3) . .
N5 C35 C34 115(3) . .
C24 C35 C31 132(3) . .
N5 C35 C31 56.6(18) . .
C34 C35 C31 83(3) . .
C24 C35 C31 129(3) . 2_656
N5 C35 C31 51.1(16) . 2_656
C34 C35 C31 80(3) . 2_656
C31 C35 C31 86(2) . 2_656
C25 C36 C24 174(10) 6 6
C25 C36 C28 9(10) 6 .
C24 C36 C28 165(5) 6 .
C25 C36 C26 57(10) 6 6
C24 C36 C26 129(5) 6 6
C28 C36 C26 65(3) . 6
C25 C36 C27 102(10) 6 .
C24 C36 C27 84(4) 6 .
C28 C36 C27 110(4) . .
C26 C36 C27 45(2) 6 .
C38 C37 N6 106(2) 6 .
C38 C37 C44 139(3) 6 .
N6 C37 C44 114(2) . .
C38 C37 C43 62.9(17) 6 6
N6 C37 C43 43.5(13) . 6
C44 C37 C43 157(2) . 6
C39 C38 C37 171(3) . 6
C39 C38 C41 72(2) . 6
C37 C38 C41 117(2) 6 6
C39 C38 C43 115(3) . .
C37 C38 C43 74.0(19) 6 .
C41 C38 C43 43.5(14) 6 .
C38 C39 C40 125(4) . .
C38 C39 C41 62(2) . 6
C40 C39 C41 63(2) . 6
C42 C40 C39 123(4) . .
C42 C40 C41 64(3) . 6
C39 C40 C41 59(2) . 6
C43 C41 C41 73.1(19) 6 6
C43 C41 C38 77(2) 6 6
C41 C41 C38 150.2(14) 6 6
C43 C41 C43 25(2) 6 .
C41 C41 C43 48.3(14) 6 .
C38 C41 C43 102(2) 6 .
C43 C41 C42 137(3) 6 .
C41 C41 C42 64.0(12) 6 .
C38 C41 C42 146(2) 6 .
C43 C41 C42 112(2) . .
C43 C41 C39 123(3) 6 6
C41 C41 C39 164.3(16) 6 6
C38 C41 C39 45.4(16) 6 6
C43 C41 C39 147(2) . 6
C42 C41 C39 100(2) . 6
C43 C41 C40 179(3) 6 6
C41 C41 C40 106(2) 6 6
C38 C41 C40 103(3) 6 6
C43 C41 C40 155(3) . 6
C42 C41 C40 42.5(18) . 6
C39 C41 C40 58(2) 6 6
C40 C42 C40 160(6) . 6
C40 C42 C41 125(3) . .
C40 C42 C41 73(3) 6 .
C40 C42 C41 73(3) . 6
C40 C42 C41 125(3) 6 6
C41 C42 C41 52(2) . 6
C43 C43 C41 106.9(19) 6 6
C43 C43 N6 96.1(16) 6 6
C41 C43 N6 157(3) 6 6
C43 C43 N6 57.5(13) 6 .
C41 C43 N6 164(3) 6 .
N6 C43 N6 39(2) 6 .
C43 C43 C41 48.3(14) 6 .
C41 C43 C41 59(3) 6 .
N6 C43 C41 144(3) 6 .
N6 C43 C41 106(2) . .
C43 C43 C38 166.2(11) 6 .
C41 C43 C38 59.3(19) 6 .
N6 C43 C38 98(2) 6 .
N6 C43 C38 136(2) . .
C41 C43 C38 118(2) . .
C43 C43 C37 150.4(11) 6 6
C41 C43 C37 102(2) 6 6
N6 C43 C37 54.4(16) 6 6
N6 C43 C37 93.0(17) . 6
C41 C43 C37 161(2) . 6
C38 C43 C37 43.1(12) . 6
C46 C44 N7 123(3) . .
C46 C44 C37 126(3) . .
N7 C44 C37 110(3) . .
C46 C44 C45 101(3) . 2
N7 C44 C45 48.8(15) . 2
C37 C44 C45 125(3) . 2
C46 C44 C45 94(3) . .
N7 C44 C45 48.2(15) . .
C37 C44 C45 113(2) . .
C45 C44 C45 88(2) 2 .
C46 C44 C47 60(2) . 2
N7 C44 C47 79.4(18) . 2
C37 C44 C47 151(2) . 2
C45 C44 C47 41.3(16) 2 2
C45 C44 C47 94(2) . 2
N7 C45 C47 117(3) . .
N7 C45 C44 54.7(16) . 2
C47 C45 C44 84(3) . 2
N7 C45 C44 53.9(16) . .
C47 C45 C44 85(3) . .
C44 C45 C44 90(2) 2 .
C44 C46 C48 118(3) . .
C44 C46 C47 86(3) . .
C48 C46 C47 57.4(18) . .
C44 C46 C47 79(3) . 2
C48 C46 C47 54.2(17) . 2
C47 C46 C47 89(2) . 2
C45 C47 C48 124(3) . .
C45 C47 C46 95(3) . .
C48 C47 C46 52.4(17) . .
C45 C47 C46 95(3) . 2
C48 C47 C46 49.7(16) . 2
C46 C47 C46 90(2) . 2
C45 C47 C44 55(2) . 2
C48 C47 C44 82(2) . 2
C46 C47 C44 96(2) . 2
C46 C47 C44 40.7(16) 2 2
C46 C48 C46 121(4) . 2
C46 C48 C47 76(2) . 2
C46 C48 C47 70(2) 2 2
C46 C48 C47 70(2) . .
C46 C48 C47 76(2) 2 .
C47 C48 C47 108(4) 2 .
C1 N1 C5 116.5(18) . .
C1 N1 Pt1 122.0(15) . .
C5 N1 Pt1 121.5(15) . .
C6 N2 C6 128.6(19) 6 .
C6 N2 Pt1 115.7(10) 6 .
C6 N2 Pt1 115.7(10) . .
C14 N3 C9 103(3) . .
C14 N3 C15 32.9(17) . .
C9 N3 C15 109(2) . .
C14 N3 Pt1 137.6(18) . .
C9 N3 Pt1 112.7(15) . .
C15 N3 Pt1 137.4(19) . .
N4 N4 C27 88.4(19) 6 6
N4 N4 C27 63.4(16) 6 .
C27 N4 C27 25(3) 6 .
N4 N4 C24 168.3(12) 6 .
C27 N4 C24 80(2) 6 .
C27 N4 C24 105(2) . .
N4 N4 Pt2 81.1(7) 6 .
C27 N4 Pt2 169(2) 6 .
C27 N4 Pt2 144(2) . .
C24 N4 Pt2 110.6(15) . .
C35 N5 C35 127(3) 2_656 .
C35 N5 C31 70(2) 2_656 2_656
C35 N5 C31 80(2) . 2_656
C35 N5 C31 80(2) 2_656 .
C35 N5 C31 70(2) . .
C31 N5 C31 110(3) 2_656 .
C35 N5 Pt2 116.5(17) 2_656 .
C35 N5 Pt2 116.5(17) . .
C31 N5 Pt2 125.1(14) 2_656 .
C31 N5 Pt2 125.1(14) . .
N6 N6 C43 83.9(16) 6 6
N6 N6 C43 57.5(13) 6 .
C43 N6 C43 26(2) 6 .
N6 N6 C37 165.8(13) 6 .
C43 N6 C37 82(2) 6 .
C43 N6 C37 109(2) . .
N6 N6 Pt3 77.4(7) 6 .
C43 N6 Pt3 160(2) 6 .
C43 N6 Pt3 134.4(18) . .
C37 N6 Pt3 116.2(16) . .
C45 N7 C45 130(3) . 2
C45 N7 C44 76.5(19) . 2
C45 N7 C44 77.9(19) 2 2
C45 N7 C44 77.9(19) . .
C45 N7 C44 76.5(19) 2 .
C44 N7 C44 116(3) 2 .
C45 N7 Pt3 114.9(17) . .
C45 N7 Pt3 114.9(17) 2 .
C44 N7 Pt3 121.8(15) 2 .
C44 N7 Pt3 121.8(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N2 1.986(17) .
Pt1 N3 2.03(3) 6
Pt1 N3 2.03(3) .
Pt1 N1 2.041(15) .
Pt2 N5 1.958(12) .
Pt2 N5 1.958(12) 5_656
Pt2 N4 2.00(2) 2_656
Pt2 N4 2.00(2) 5_656
Pt2 N4 2.00(2) 6
Pt2 N4 2.00(2) .
Pt3 N7 2.01(2) .
Pt3 N7 2.01(2) 5
Pt3 N6 2.04(2) 2
Pt3 N6 2.04(2) 5
Pt3 N6 2.04(2) 6
Pt3 N6 2.04(2) .
C1 N1 1.30(3) .
C1 C2 1.37(3) .
C2 C3 1.27(4) .
C3 C4 1.32(4) .
C4 C5 1.32(4) .
C5 N1 1.33(3) .
C6 N2 1.381(17) .
C6 C7 1.39(2) .
C6 C9 1.43(2) .
C7 C8 1.39(2) .
C8 C7 1.39(2) 6
C9 N3 1.38(2) .
C9 C11 1.40(4) .
C9 C10 1.46(4) .
C10 C11 0.74(4) .
C10 C13 1.33(4) .
C10 C12 1.44(4) .
C11 C12 1.49(5) .
C11 C13 1.82(5) .
C12 C13 1.01(4) .
C12 C23 1.38(5) .
C12 C14 1.56(5) .
C12 C15 1.77(5) .
C12 C22 1.94(5) .
C13 C15 1.31(5) .
C13 C14 1.60(5) .
C13 C22 1.69(5) .
C13 C23 1.78(6) .
C14 C15 0.83(4) .
C14 N3 1.30(4) .
C14 C16 1.43(4) .
C14 C17 1.87(4) .
C15 C17 1.43(4) .
C15 C16 1.48(5) .
C15 N3 1.52(4) .
C16 C17 1.02(4) .
C16 C19 1.36(5) .
C16 C18 1.59(5) .
C17 C18 1.29(5) .
C17 C19 1.76(5) .
C18 C19 1.05(5) .
C18 C20 1.50(5) .
C18 C21 2.03(6) .
C19 C21 1.43(5) .
C19 C20 1.56(5) .
C20 C21 1.09(5) .
C20 C22 1.29(5) .
C20 C23 2.01(5) .
C21 C23 1.37(5) .
C21 C22 1.37(5) .
C22 C23 1.12(5) .
C24 C36 1.03(5) 6
C24 C35 1.32(4) .
C24 C25 1.41(4) .
C24 N4 1.52(3) .
C24 C27 1.75(4) 6
C25 C36 0.38(6) 6
C25 C28 1.03(5) 6
C25 C26 1.32(5) .
C25 C27 1.64(5) 6
C26 C27 1.15(4) 6
C26 C26 1.25(6) 6
C26 C27 1.42(4) .
C26 C36 1.49(6) 6
C26 C29 1.49(4) .
C26 C28 1.56(5) 6
C26 C30 1.67(4) 6
C27 C27 0.55(6) 6
C27 C26 1.15(4) 6
C27 N4 1.17(3) 6
C27 N4 1.31(3) .
C27 C36 1.52(6) .
C27 C25 1.64(5) 6
C27 C24 1.75(4) 6
C28 C25 1.03(5) 6
C28 C36 1.40(6) .
C28 C30 1.44(5) .
C28 C26 1.56(5) 6
C29 C30 1.24(4) .
C29 C30 1.24(4) 6
C29 C26 1.49(4) 6
C30 C26 1.67(4) 6
C31 N5 1.42(3) .
C31 C32 1.42(5) .
C31 C35 1.59(4) .
C31 C35 1.79(5) 2_656
C32 C33 1.34(4) .
C32 C34 1.68(5) 2_656
C32 C34 1.70(5) .
C33 C32 1.34(4) 2_656
C33 C34 1.37(4) .
C33 C34 1.37(4) 2_656
C34 C35 1.52(5) .
C34 C32 1.68(5) 2_656
C35 N5 1.36(4) .
C35 C31 1.79(5) 2_656
C36 C25 0.38(6) 6
C36 C24 1.03(5) 6
C36 C26 1.49(6) 6
C37 C38 1.24(3) 6
C37 N6 1.43(3) .
C37 C44 1.47(4) .
C37 C43 1.74(4) 6
C38 C39 1.14(3) .
C38 C37 1.24(3) 6
C38 C41 1.42(3) 6
C38 C43 1.61(3) .
C39 C40 1.50(5) .
C39 C41 1.52(4) 6
C40 C42 1.11(5) .
C40 C41 1.57(5) 6
C41 C43 1.14(3) 6
C41 C41 1.30(6) 6
C41 C38 1.42(3) 6
C41 C43 1.45(3) .
C41 C42 1.48(3) .
C41 C39 1.52(4) 6
C41 C40 1.57(5) 6
C42 C40 1.11(5) 6
C42 C41 1.48(3) 6
C43 C43 0.64(5) 6
C43 C41 1.14(3) 6
C43 N6 1.21(3) 6
C43 N6 1.42(3) .
C43 C37 1.74(4) 6
C44 C46 1.33(5) .
C44 N7 1.38(3) .
C44 C45 1.65(4) 2
C44 C45 1.67(4) .
C44 C47 2.00(5) 2
C45 N7 1.27(3) .
C45 C47 1.33(5) .
C45 C44 1.65(4) 2
C46 C48 1.39(3) .
C46 C47 1.65(5) .
C46 C47 1.77(5) 2
C47 C48 1.48(4) .
C47 C46 1.77(5) 2
C47 C44 2.00(5) 2
C48 C46 1.39(3) 2
C48 C47 1.48(4) 2
N2 C6 1.381(17) 6
N4 N4 0.62(5) 6
N4 C27 1.17(3) 6
N5 C35 1.36(4) 2_656
N5 C31 1.42(3) 2_656
N6 N6 0.89(5) 6
N6 C43 1.21(3) 6
N7 C45 1.27(3) 2
N7 C44 1.38(3) 2
