#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:48:41 +0100 (vie 25 de mar de 2016) $
#$Revision: 179765 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/61/7006184.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_7006184
loop_
_publ_author_name
'Klika, Karel D.'
'Kivelä, Henri'
'Ovcharenko, Vladimir V.'
'Nieminen, Ville'
'Sillanpää, Reijo'
'Arpalahti, Jorma'
_publ_section_title
;
 Synthesis and NMR characterization of the cis and trans isomers of
 [Pt(II)(N9-adeH)2(pz)2] and X-ray crystallography of the trans isomer.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3966
_journal_page_last               3970
_journal_paper_doi               10.1039/b709697f
_journal_year                    2007
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C18 H20 N14 Pt, 4(N O3), H2 O'
_chemical_formula_sum            'C18 H22 N18 O13 Pt'
_chemical_formula_weight         893.63
_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
_cell_angle_alpha                90
_cell_angle_beta                 95.512(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8863(2)
_cell_length_b                   11.0417(3)
_cell_length_c                   24.5202(7)
_cell_measurement_reflns_used    5844
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.373
_cell_measurement_theta_min      0.407
_cell_measurement_wavelength     0.71073
_cell_volume                     2933.78(13)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0513
_diffrn_reflns_av_unetI/netI     0.0502
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18581
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.39
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    4.881
_exptl_absorpt_correction_T_max  0.557
_exptl_absorpt_correction_T_min  0.448
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
Sheldrick, G.M. (anon) SHELX97 Release 97-2 (1998)
I/sigma threshold for reflections = 5.000
Delta(U)/lambda**2 = 0.000
Highest even order spherical harmonic = 6
Highest odd order spherical harmonic = 3
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.023
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.637
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         5988
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.001
_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+12.4521P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0643
_refine_ls_wR_factor_ref         0.0686
_reflns_number_gt                5103
_reflns_number_total             5988
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b709697f.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7006184
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt -0.009800(16) 0.859508(18) 0.118596(8) 0.01792(6) Uani 1 1 d . . .
OW O 0.4422(4) 0.7349(5) -0.11961(18) 0.0405(12) Uani 1 1 d . . .
H1OW H 0.392(6) 0.742(6) -0.148(3) 0.049 Uiso 1 1 d . . .
H2OW H 0.483(6) 0.683(7) -0.121(3) 0.049 Uiso 1 1 d . . .
N1A N -0.3566(4) 0.9925(4) 0.25998(19) 0.0264(10) Uani 1 1 d . . .
H1A H -0.393(5) 1.007(5) 0.288(2) 0.032 Uiso 1 1 d . . .
C2A C -0.2345(5) 0.9632(5) 0.2670(2) 0.0280(13) Uani 1 1 d . . .
H2A H -0.204(5) 0.957(5) 0.304(2) 0.034 Uiso 1 1 d . . .
N3A N -0.1670(4) 0.9340(4) 0.22790(18) 0.0270(10) Uani 1 1 d . . .
C4A C -0.2313(4) 0.9384(5) 0.1780(2) 0.0211(11) Uani 1 1 d . . .
C5A C -0.3528(4) 0.9717(5) 0.1665(2) 0.0197(11) Uani 1 1 d . . .
C6A C -0.4237(5) 1.0001(5) 0.2099(2) 0.0257(12) Uani 1 1 d . . .
N6A N -0.5403(4) 1.0298(6) 0.2052(2) 0.0400(14) Uani 1 1 d . . .
H6A1 H -0.579(5) 1.049(6) 0.168(3) 0.048 Uiso 1 1 d . . .
H6A2 H -0.579(6) 1.032(6) 0.233(3) 0.048 Uiso 1 1 d . . .
N7A N -0.3794(4) 0.9664(4) 0.11077(19) 0.0251(10) Uani 1 1 d . . .
H7A H -0.440(5) 0.990(5) 0.087(2) 0.030 Uiso 1 1 d . . .
C8A C -0.2774(4) 0.9303(5) 0.0897(2) 0.0226(11) Uani 1 1 d . . .
H8A H -0.271(4) 0.917(5) 0.052(2) 0.027 Uiso 1 1 d . . .
N9A N -0.1844(3) 0.9109(4) 0.12926(16) 0.0193(9) Uani 1 1 d . . .
N1B N 0.3373(4) 0.7527(4) -0.02714(18) 0.0234(10) Uani 1 1 d . . .
H1B H 0.374(5) 0.747(5) -0.054(2) 0.028 Uiso 1 1 d . . .
C2B C 0.2175(5) 0.7896(5) -0.0333(2) 0.0232(11) Uani 1 1 d . . .
H2B H 0.187(4) 0.798(5) -0.072(2) 0.028 Uiso 1 1 d . . .
N3B N 0.1495(3) 0.8130(4) 0.00659(17) 0.0207(9) Uani 1 1 d . . .
C4B C 0.2114(4) 0.7958(4) 0.0569(2) 0.0187(10) Uani 1 1 d . . .
C5B C 0.3338(4) 0.7613(4) 0.06652(19) 0.0187(10) Uani 1 1 d . . .
N6B N 0.5164(4) 0.6969(5) 0.0253(2) 0.0314(12) Uani 1 1 d . . .
H6B1 H 0.550(5) 0.681(6) 0.053(3) 0.038 Uiso 1 1 d . . .
H6B2 H 0.555(5) 0.684(6) -0.002(3) 0.038 Uiso 1 1 d . . .
C6B C 0.4024(4) 0.7356(5) 0.0225(2) 0.0245(12) Uani 1 1 d . . .
N7B N 0.3596(4) 0.7568(4) 0.12277(18) 0.0213(10) Uani 1 1 d . . .
H7B H 0.423(5) 0.738(5) 0.136(2) 0.026 Uiso 1 1 d . . .
C8B C 0.2566(4) 0.7873(5) 0.1444(2) 0.0214(11) Uani 1 1 d . . .
H8B H 0.256(5) 0.791(5) 0.180(2) 0.026 Uiso 1 1 d . . .
N9B N 0.1646(3) 0.8112(4) 0.10657(17) 0.0199(9) Uani 1 1 d . . .
N11 N -0.0603(3) 0.6864(4) 0.10361(17) 0.0211(9) Uani 1 1 d . . .
N12 N -0.1141(4) 0.4432(4) 0.0856(2) 0.0358(12) Uani 1 1 d . . .
C11 C -0.0442(4) 0.6055(5) 0.1445(2) 0.0244(12) Uani 1 1 d . . .
H11 H -0.0135 0.6311 0.1802 0.029 Uiso 1 1 calc R . .
C12 C -0.0722(5) 0.4849(5) 0.1347(2) 0.0272(12) Uani 1 1 d . . .
H12 H -0.0610 0.4293 0.1643 0.033 Uiso 1 1 calc R . .
C13 C -0.1302(5) 0.5253(6) 0.0457(3) 0.0371(15) Uani 1 1 d . . .
H13 H -0.1600 0.4991 0.0100 0.045 Uiso 1 1 calc R . .
C14 C -0.1053(4) 0.6467(5) 0.0542(2) 0.0282(12) Uani 1 1 d . . .
H14 H -0.1203 0.7024 0.0248 0.034 Uiso 1 1 calc R . .
N21 N 0.0478(3) 1.0288(4) 0.13620(17) 0.0207(9) Uani 1 1 d . . .
N22 N 0.1364(4) 1.2596(4) 0.1603(2) 0.0328(11) Uani 1 1 d . . .
C21 C 0.0942(5) 1.0579(5) 0.1876(2) 0.0264(12) Uani 1 1 d . . .
H21 H 0.0972 0.9991 0.2160 0.032 Uiso 1 1 calc R . .
C22 C 0.1369(5) 1.1730(5) 0.1985(2) 0.0345(14) Uani 1 1 d . . .
H22 H 0.1683 1.1922 0.2349 0.041 Uiso 1 1 calc R . .
C23 C 0.0902(5) 1.2284(5) 0.1104(2) 0.0283(12) Uani 1 1 d . . .
H23 H 0.0870 1.2876 0.0822 0.034 Uiso 1 1 calc R . .
C24 C 0.0461(4) 1.1127(5) 0.0974(2) 0.0225(11) Uani 1 1 d . . .
H24 H 0.0148 1.0938 0.0609 0.027 Uiso 1 1 calc R . .
N31 N 0.1925(4) 0.7563(4) -0.21312(19) 0.0298(11) Uani 1 1 d . . .
O31 O 0.3037(3) 0.7463(4) -0.22191(16) 0.0398(11) Uani 1 1 d . . .
O32 O 0.1668(4) 0.7915(4) -0.16699(16) 0.0365(10) Uani 1 1 d . . .
O33 O 0.1094(4) 0.7309(4) -0.24969(17) 0.0443(11) Uani 1 1 d . . .
N41 N 0.6840(4) 0.5390(5) -0.09333(19) 0.0327(11) Uani 1 1 d . . .
O41 O 0.6714(4) 0.5982(6) -0.05168(19) 0.0735(19) Uani 1 1 d . . .
O42 O 0.5942(3) 0.5321(4) -0.12984(16) 0.0398(11) Uani 1 1 d . . .
O43 O 0.7818(3) 0.4858(4) -0.09946(16) 0.0358(10) Uani 1 1 d . . .
N51 N -0.6680(4) 1.0764(5) 0.05835(19) 0.0307(11) Uani 1 1 d . . .
O51 O -0.5704(3) 1.0456(4) 0.03849(16) 0.0414(11) Uani 1 1 d . . .
O52 O -0.6824(3) 1.0515(4) 0.10693(16) 0.0369(10) Uani 1 1 d . . .
O53 O -0.7501(4) 1.1277(5) 0.02856(17) 0.0583(15) Uani 1 1 d . . .
N61 N 0.6375(4) 0.6247(5) 0.1722(2) 0.0332(12) Uani 1 1 d . . .
O61 O 0.5488(3) 0.6782(4) 0.19233(16) 0.0404(11) Uani 1 1 d . . .
O62 O 0.6631(3) 0.6539(5) 0.12513(17) 0.0479(12) Uani 1 1 d . . .
O63 O 0.6972(4) 0.5489(5) 0.19978(18) 0.0494(13) Uani 1 1 d . . .
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
N21 Pt N11 177.02(16) . . ?
N21 Pt N9B 89.91(16) . . ?
N11 Pt N9B 88.10(16) . . ?
N21 Pt N9A 89.38(16) . . ?
N11 Pt N9A 92.65(16) . . ?
N9B Pt N9A 178.65(17) . . ?
H1OW OW H2OW 113(7) . . ?
C2A N1A C6A 123.8(4) . . ?
C2A N1A H1A 118(4) . . ?
C6A N1A H1A 118(4) . . ?
N3A C2A N1A 125.3(5) . . ?
N3A C2A H2A 121(3) . . ?
N1A C2A H2A 113(3) . . ?
C2A N3A C4A 112.2(4) . . ?
N3A C4A C5A 126.8(5) . . ?
N3A C4A N9A 125.1(4) . . ?
C5A C4A N9A 108.1(4) . . ?
N7A C5A C4A 107.5(4) . . ?
N7A C5A C6A 133.2(5) . . ?
C4A C5A C6A 119.3(5) . . ?
N6A C6A N1A 121.6(5) . . ?
N6A C6A C5A 126.0(5) . . ?
N1A C6A C5A 112.4(4) . . ?
C6A N6A H6A1 118(4) . . ?
C6A N6A H6A2 120(5) . . ?
H6A1 N6A H6A2 122(6) . . ?
C8A N7A C5A 107.1(4) . . ?
C8A N7A H7A 116(4) . . ?
C5A N7A H7A 136(4) . . ?
N7A C8A N9A 111.5(5) . . ?
N7A C8A H8A 125(3) . . ?
N9A C8A H8A 124(3) . . ?
C8A N9A C4A 105.9(4) . . ?
C8A N9A Pt 126.9(3) . . ?
C4A N9A Pt 127.2(3) . . ?
C6B N1B C2B 123.5(4) . . ?
C6B N1B H1B 118(4) . . ?
C2B N1B H1B 118(4) . . ?
N3B C2B N1B 125.5(5) . . ?
N3B C2B H2B 123(3) . . ?
N1B C2B H2B 112(3) . . ?
C2B N3B C4B 112.6(4) . . ?
N3B C4B N9B 126.3(4) . . ?
N3B C4B C5B 125.2(4) . . ?
N9B C4B C5B 108.5(4) . . ?
N7B C5B C4B 106.2(4) . . ?
N7B C5B C6B 133.7(5) . . ?
C4B C5B C6B 120.0(5) . . ?
C6B N6B H6B1 120(5) . . ?
C6B N6B H6B2 124(4) . . ?
H6B1 N6B H6B2 116(6) . . ?
N6B C6B N1B 120.2(5) . . ?
N6B C6B C5B 126.7(5) . . ?
N1B C6B C5B 113.0(4) . . ?
C8B N7B C5B 106.9(4) . . ?
C8B N7B H7B 131(4) . . ?
C5B N7B H7B 122(4) . . ?
N9B C8B N7B 112.4(5) . . ?
N9B C8B H8B 128(3) . . ?
N7B C8B H8B 120(3) . . ?
C8B N9B C4B 106.0(4) . . ?
C8B N9B Pt 127.4(3) . . ?
C4B N9B Pt 126.5(3) . . ?
C14 N11 C11 118.0(5) . . ?
C14 N11 Pt 123.1(4) . . ?
C11 N11 Pt 118.8(3) . . ?
C12 N12 C13 116.0(5) . . ?
N11 C11 C12 120.0(5) . . ?
N11 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
N12 C12 C11 122.9(5) . . ?
N12 C12 H12 118.6 . . ?
C11 C12 H12 118.6 . . ?
N12 C13 C14 122.8(6) . . ?
N12 C13 H13 118.6 . . ?
C14 C13 H13 118.6 . . ?
N11 C14 C13 120.3(5) . . ?
N11 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C24 N21 C21 118.8(5) . . ?
C24 N21 Pt 120.9(4) . . ?
C21 N21 Pt 120.3(4) . . ?
C23 N22 C22 115.9(5) . . ?
N21 C21 C22 119.4(5) . . ?
N21 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
N22 C22 C21 123.3(5) . . ?
N22 C22 H22 118.4 . . ?
C21 C22 H22 118.4 . . ?
N22 C23 C24 122.9(5) . . ?
N22 C23 H23 118.6 . . ?
C24 C23 H23 118.6 . . ?
N21 C24 C23 119.8(5) . . ?
N21 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
O33 N31 O32 120.8(5) . . ?
O33 N31 O31 120.3(5) . . ?
O32 N31 O31 119.0(5) . . ?
O41 N41 O43 121.2(5) . . ?
O41 N41 O42 118.7(5) . . ?
O43 N41 O42 120.1(5) . . ?
O53 N51 O52 121.0(4) . . ?
O53 N51 O51 119.0(5) . . ?
O52 N51 O51 119.9(4) . . ?
O63 N61 O62 122.0(5) . . ?
O63 N61 O61 119.2(5) . . ?
O62 N61 O61 118.8(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
Pt N21 2.006(4) . ?
Pt N11 2.013(4) . ?
Pt N9B 2.020(4) . ?
Pt N9A 2.025(4) . ?
OW H1OW 0.84(7) . ?
OW H2OW 0.73(7) . ?
N1A C2A 1.363(7) . ?
N1A C6A 1.369(7) . ?
N1A H1A 0.84(6) . ?
C2A N3A 1.304(7) . ?
C2A H2A 0.94(6) . ?
N3A C4A 1.352(6) . ?
C4A C5A 1.376(7) . ?
C4A N9A 1.376(6) . ?
C5A N7A 1.370(6) . ?
C5A C6A 1.409(7) . ?
C6A N6A 1.306(7) . ?
N6A H6A1 0.98(7) . ?
N6A H6A2 0.83(6) . ?
N7A C8A 1.330(6) . ?
N7A H7A 0.87(6) . ?
C8A N9A 1.349(6) . ?
C8A H8A 0.94(5) . ?
N1B C6B 1.361(7) . ?
N1B C2B 1.361(6) . ?
N1B H1B 0.81(6) . ?
C2B N3B 1.308(6) . ?
C2B H2B 0.98(5) . ?
N3B C4B 1.362(6) . ?
C4B N9B 1.375(6) . ?
C4B C5B 1.385(6) . ?
C5B N7B 1.382(6) . ?
C5B C6B 1.400(7) . ?
N6B C6B 1.308(7) . ?
N6B H6B1 0.75(6) . ?
N6B H6B2 0.82(6) . ?
N7B C8B 1.330(6) . ?
N7B H7B 0.76(5) . ?
C8B N9B 1.325(6) . ?
C8B H8B 0.87(5) . ?
N11 C14 1.337(7) . ?
N11 C11 1.342(7) . ?
N12 C12 1.328(7) . ?
N12 C13 1.331(8) . ?
C11 C12 1.383(7) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.379(8) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
N21 C24 1.327(6) . ?
N21 C21 1.351(6) . ?
N22 C23 1.325(7) . ?
N22 C22 1.337(7) . ?
C21 C22 1.370(8) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.390(7) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
N31 O33 1.243(6) . ?
N31 O32 1.252(6) . ?
N31 O31 1.255(6) . ?
N41 O41 1.231(6) . ?
N41 O43 1.238(6) . ?
N41 O42 1.263(6) . ?
N51 O53 1.236(6) . ?
N51 O52 1.247(6) . ?
N51 O51 1.257(5) . ?
N61 O63 1.223(6) . ?
N61 O62 1.256(6) . ?
N61 O61 1.271(6) . ?
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
_geom_hbond_site_symmetry_A
OW H1OW O31 0.84(7) 1.98(7) 2.803(6) 168(6) .
OW H2OW O42 0.73(7) 2.08(7) 2.810(6) 176(8) .
N1A H1A O42 0.84(6) 2.08(6) 2.817(6) 147(5) 4_476
N6A H6A2 O63 0.83(6) 2.19(7) 3.025(6) 174(6) 2
N6A H6A1 O52 0.98(7) 1.79(7) 2.747(7) 163(6) .
N7A H7A O51 0.87(6) 1.88(6) 2.742(6) 178(6) .
N1B H1B OW 0.81(6) 1.84(6) 2.642(6) 175(6) .
N6B H6B1 O62 0.75(6) 2.09(6) 2.831(6) 171(7) .
N6B H6B2 O41 0.82(6) 2.08(6) 2.865(6) 160(6) .
N7B H7B O61 0.76(5) 1.96(5) 2.688(6) 160(6) .
C2B H2B O32 0.98(5) 2.32(6) 3.271(6) 164(4) .
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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6A N1A C2A N3A -2.9(9) . . . . ?
N1A C2A N3A C4A 1.5(8) . . . . ?
C2A N3A C4A C5A 1.5(8) . . . . ?
C2A N3A C4A N9A -179.3(5) . . . . ?
N3A C4A C5A N7A 178.4(5) . . . . ?
N9A C4A C5A N7A -0.9(6) . . . . ?
N3A C4A C5A C6A -3.0(8) . . . . ?
N9A C4A C5A C6A 177.6(5) . . . . ?
C2A N1A C6A N6A -179.2(6) . . . . ?
C2A N1A C6A C5A 1.2(8) . . . . ?
N7A C5A C6A N6A 0.0(10) . . . . ?
C4A C5A C6A N6A -178.1(6) . . . . ?
N7A C5A C6A N1A 179.6(5) . . . . ?
C4A C5A C6A N1A 1.5(7) . . . . ?
C4A C5A N7A C8A 0.4(6) . . . . ?
C6A C5A N7A C8A -177.8(6) . . . . ?
C5A N7A C8A N9A 0.3(6) . . . . ?
N7A C8A N9A C4A -0.8(6) . . . . ?
N7A C8A N9A Pt -178.3(4) . . . . ?
N3A C4A N9A C8A -178.3(5) . . . . ?
C5A C4A N9A C8A 1.1(6) . . . . ?
N3A C4A N9A Pt -0.9(8) . . . . ?
C5A C4A N9A Pt 178.5(3) . . . . ?
N21 Pt N9A C8A 105.3(4) . . . . ?
N11 Pt N9A C8A -76.9(4) . . . . ?
N9B Pt N9A C8A 47(8) . . . . ?
N21 Pt N9A C4A -71.6(4) . . . . ?
N11 Pt N9A C4A 106.2(4) . . . . ?
N9B Pt N9A C4A -130(7) . . . . ?
C6B N1B C2B N3B -0.1(9) . . . . ?
N1B C2B N3B C4B -0.5(8) . . . . ?
C2B N3B C4B N9B -179.0(5) . . . . ?
C2B N3B C4B C5B 2.0(7) . . . . ?
N3B C4B C5B N7B 178.9(5) . . . . ?
N9B C4B C5B N7B -0.3(6) . . . . ?
N3B C4B C5B C6B -3.0(8) . . . . ?
N9B C4B C5B C6B 177.9(5) . . . . ?
C2B N1B C6B N6B 178.1(5) . . . . ?
C2B N1B C6B C5B -0.7(7) . . . . ?
N7B C5B C6B N6B 0.9(10) . . . . ?
C4B C5B C6B N6B -176.7(6) . . . . ?
N7B C5B C6B N1B 179.7(5) . . . . ?
C4B C5B C6B N1B 2.1(7) . . . . ?
C4B C5B N7B C8B 0.1(6) . . . . ?
C6B C5B N7B C8B -177.7(6) . . . . ?
C5B N7B C8B N9B 0.2(6) . . . . ?
N7B C8B N9B C4B -0.3(6) . . . . ?
N7B C8B N9B Pt 179.3(3) . . . . ?
N3B C4B N9B C8B -178.7(5) . . . . ?
C5B C4B N9B C8B 0.4(6) . . . . ?
N3B C4B N9B Pt 1.6(7) . . . . ?
C5B C4B N9B Pt -179.3(3) . . . . ?
N21 Pt N9B C8B 78.1(5) . . . . ?
N11 Pt N9B C8B -99.7(5) . . . . ?
N9A Pt N9B C8B 136(7) . . . . ?
N21 Pt N9B C4B -102.3(4) . . . . ?
N11 Pt N9B C4B 79.9(4) . . . . ?
N9A Pt N9B C4B -44(8) . . . . ?
N21 Pt N11 C14 -143(3) . . . . ?
N9B Pt N11 C14 -94.6(4) . . . . ?
N9A Pt N11 C14 84.3(4) . . . . ?
N21 Pt N11 C11 35(3) . . . . ?
N9B Pt N11 C11 82.9(3) . . . . ?
N9A Pt N11 C11 -98.2(3) . . . . ?
C14 N11 C11 C12 0.9(7) . . . . ?
Pt N11 C11 C12 -176.7(4) . . . . ?
C13 N12 C12 C11 -1.2(8) . . . . ?
N11 C11 C12 N12 0.7(8) . . . . ?
C12 N12 C13 C14 0.0(8) . . . . ?
C11 N11 C14 C13 -2.1(7) . . . . ?
Pt N11 C14 C13 175.4(4) . . . . ?
N12 C13 C14 N11 1.7(8) . . . . ?
N11 Pt N21 C24 140(3) . . . . ?
N9B Pt N21 C24 92.0(4) . . . . ?
N9A Pt N21 C24 -86.9(4) . . . . ?
N11 Pt N21 C21 -37(3) . . . . ?
N9B Pt N21 C21 -85.2(4) . . . . ?
N9A Pt N21 C21 95.9(4) . . . . ?
C24 N21 C21 C22 0.6(7) . . . . ?
Pt N21 C21 C22 177.9(4) . . . . ?
C23 N22 C22 C21 0.8(8) . . . . ?
N21 C21 C22 N22 -0.7(8) . . . . ?
C22 N22 C23 C24 -0.9(7) . . . . ?
C21 N21 C24 C23 -0.8(7) . . . . ?
Pt N21 C24 C23 -178.0(3) . . . . ?
N22 C23 C24 N21 1.0(7) . . . . ?
