#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/79/4317977.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_4317977
loop_
_publ_author_name
'Xuhui Zhu'
'Eduard Rusanov'
'Ralph Kluge'
'Harry Schmidt'
'Dirk Steinborn'
_publ_section_title
;
 Synthesis, Characterization, and Structure of [{PtMe3(9-MeA)}3] (9-MeAH =
 9-Methyladenine): A Cyclic Trimeric Platinum(IV) Complex with a
 Nucleobase
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2667
_journal_page_last               2671
_journal_paper_doi               10.1021/ic0110530
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C33 H64 N15 O3.5 Pt3'
_chemical_formula_weight         1312.26
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 108.79(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.955(4)
_cell_length_b                   20.820(4)
_cell_length_c                   19.973(3)
_cell_measurement_reflns_used    8200
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      15.95
_cell_measurement_theta_min      2.15
_cell_volume                     9037(3)
_computing_cell_refinement       'STOE-IPDS Software'
_computing_data_collection       'STOE-IPDS Software'
_computing_data_reduction        'STOE-IPDS Software'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measurement_device       'STOE IPDS'
_diffrn_measurement_method       'φ oscillation'
_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  0.1105
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            32869
_diffrn_reflns_theta_max         25.95
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        negligible
_diffrn_standards_interval_count 'every image '
_diffrn_standards_interval_time  'every image '
_diffrn_standards_number         '200 for each image'
_exptl_absorpt_coefficient_mu    9.315
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.929
_exptl_crystal_description       prizm
_exptl_crystal_F_000             5032
_exptl_crystal_size_max          .24
_exptl_crystal_size_mid          .21
_exptl_crystal_size_min          .21
_refine_diff_density_max         1.840
_refine_diff_density_min         -1.358
_refine_diff_density_rms         0.211
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.981
_refine_ls_goodness_of_fit_obs   1.049
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         7796
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.075
_refine_ls_restrained_S_obs      1.052
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_obs          0.0430
_refine_ls_shift/esd_max         0.049
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0649P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1226
_refine_ls_wR_factor_obs         0.1047
_reflns_number_observed          6339
_reflns_number_total             8232
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic0110530_2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0649P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0649P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        9036.8(27)
_cod_original_formula_sum        'C33 H64 N15 O3.50 Pt3'
_cod_database_code               4317977
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt -0.06328(2) -0.33679(2) 0.03820(2) 0.02913(10) Uani 1 d . .
Pt2 Pt -0.15240(2) -0.09201(2) -0.082916(15) 0.02795(10) Uani 1 d . .
Pt3 Pt -0.26474(2) -0.32260(2) -0.21950(2) 0.03041(11) Uani 1 d . .
C10A C -0.1415(5) -0.3698(5) 0.0528(5) 0.040(2) Uani 1 d . .
H10A H -0.1606(5) -0.4011(5) 0.0172(5) 0.080 Uiso 1 d R .
H10B H -0.1693(5) -0.3346(5) 0.0496(5) 0.080 Uiso 1 d R .
H10C H -0.1315(5) -0.3892(5) 0.0987(5) 0.080 Uiso 1 d R .
C11A C -0.0368(5) -0.3036(5) 0.1414(5) 0.045(2) Uani 1 d . .
H11A H -0.0518(5) -0.2606(5) 0.1417(5) 0.080 Uiso 1 d R .
H11B H 0.0073(5) -0.3037(5) 0.1609(5) 0.080 Uiso 1 d R .
H11C H -0.0538(5) -0.3308(5) 0.1693(5) 0.080 Uiso 1 d R .
C12A C -0.0251(5) -0.4246(5) 0.0757(5) 0.046(3) Uani 1 d . .
H12A H 0.0186(5) -0.4230(5) 0.0851(5) 0.080 Uiso 1 d R .
H12B H -0.0426(5) -0.4573(5) 0.0412(5) 0.080 Uiso 1 d R .
H12C H -0.0336(5) -0.4343(5) 0.1186(5) 0.080 Uiso 1 d R .
C10B C -0.1089(5) -0.0066(5) -0.0410(5) 0.045(2) Uani 1 d . .
H10D H -0.1196(5) 0.0262(5) -0.0767(5) 0.080 Uiso 1 d R .
H10E H -0.0651(5) -0.0124(5) -0.0247(5) 0.080 Uiso 1 d R .
H10F H -0.1222(5) 0.0061(5) -0.0020(5) 0.080 Uiso 1 d R .
C11B C -0.2329(5) -0.0414(5) -0.1192(5) 0.046(3) Uani 1 d . .
H11D H -0.2657(5) -0.0695(5) -0.1449(5) 0.080 Uiso 1 d R .
H11E H -0.2284(5) -0.0076(5) -0.1498(5) 0.080 Uiso 1 d R .
H11F H -0.2424(5) -0.0233(5) -0.0797(5) 0.080 Uiso 1 d R .
C12B C -0.1722(5) -0.1051(5) 0.0095(4) 0.037(2) Uani 1 d . .
H12D H -0.1478(5) -0.1399(5) 0.0355(4) 0.080 Uiso 1 d R .
H12E H -0.2150(5) -0.1151(5) -0.0012(4) 0.080 Uiso 1 d R .
H12F H -0.1628(5) -0.0666(5) 0.0374(4) 0.080 Uiso 1 d R .
C10C C -0.3317(5) -0.3213(6) -0.3165(5) 0.055(3) Uani 1 d . .
H10G H -0.3193(5) -0.3460(6) -0.3503(5) 0.080 Uiso 1 d R .
H10H H -0.3392(5) -0.2777(6) -0.3326(5) 0.080 Uiso 1 d R .
H10I H -0.3686(5) -0.3392(6) -0.3116(5) 0.080 Uiso 1 d R .
C11C C -0.3232(5) -0.2761(5) -0.1785(5) 0.045(2) Uani 1 d . .
H11G H -0.3627(5) -0.2723(5) -0.2142(5) 0.080 Uiso 1 d R .
H11H H -0.3075(5) -0.2341(5) -0.1627(5) 0.080 Uiso 1 d R .
H11I H -0.3272(5) -0.3002(5) -0.1392(5) 0.080 Uiso 1 d R .
C12C C -0.3013(6) -0.4058(5) -0.1965(6) 0.053(3) Uani 1 d . .
H12G H -0.2797(6) -0.4184(5) -0.1487(6) 0.080 Uiso 1 d R .
H12H H -0.2978(6) -0.4390(5) -0.2283(6) 0.080 Uiso 1 d R .
H12I H -0.3439(6) -0.3990(5) -0.2018(6) 0.080 Uiso 1 d R .
N1A N -0.0656(3) -0.1460(3) -0.0493(4) 0.030(2) Uani 1 d . .
C2A C -0.0152(5) -0.1189(5) -0.0607(5) 0.039(2) Uani 1 d . .
H2AA H -0.0214(5) -0.0764(5) -0.0803(5) 0.080 Uiso 1 d R .
N3A N 0.0406(4) -0.1418(4) -0.0500(4) 0.039(2) Uani 1 d . .
C4A C 0.0455(4) -0.2018(4) -0.0209(4) 0.032(2) Uani 1 d . .
C5A C 0.0000(4) -0.2335(4) -0.0066(4) 0.031(2) Uani 1 d . .
C6A C -0.0594(4) -0.2065(4) -0.0189(4) 0.027(2) Uani 1 d . .
N6A N -0.0993(3) -0.2413(3) -0.0014(3) 0.029(2) Uani 1 d . .
H6AA H -0.1374(3) -0.2275(3) -0.0050(3) 0.080 Uiso 1 d R .
N7A N 0.0186(3) -0.2927(4) 0.0236(4) 0.032(2) Uani 1 d . .
C8A C 0.0780(5) -0.2967(5) 0.0264(4) 0.039(2) Uani 1 d . .
H8AA H 0.1040(5) -0.3333(5) 0.0438(4) 0.080 Uiso 1 d R .
N9A N 0.0965(3) -0.2422(4) 0.0006(3) 0.034(2) Uani 1 d . .
C9A C 0.1567(5) -0.2285(6) -0.0043(5) 0.050(3) Uani 1 d . .
H9AA H 0.1833(5) -0.2643(6) 0.0141(5) 0.080 Uiso 1 d R .
H9AB H 0.1539(5) -0.2215(6) -0.0528(5) 0.080 Uiso 1 d R .
H9AC H 0.1732(5) -0.1908(6) 0.0229(5) 0.080 Uiso 1 d R .
N1B N -0.2226(3) -0.2351(3) -0.2468(3) 0.031(2) Uani 1 d . .
C2B C -0.2165(5) -0.2302(5) -0.3118(4) 0.038(2) Uani 1 d . .
H2BA H -0.2334(5) -0.2657(5) -0.3427(4) 0.080 Uiso 1 d R .
N3B N -0.1915(4) -0.1855(4) -0.3411(4) 0.043(2) Uani 1 d . .
C4B C -0.1669(5) -0.1379(4) -0.2924(4) 0.033(2) Uani 1 d . .
C5B C -0.1690(4) -0.1372(4) -0.2250(4) 0.030(2) Uani 1 d . .
N6B N -0.1995(3) -0.1787(3) -0.1338(3) 0.029(2) Uani 1 d . .
H6BA H -0.2180(3) -0.2065(3) -0.1126(3) 0.080 Uiso 1 d R .
C6B C -0.1983(4) -0.1859(4) -0.1980(4) 0.027(2) Uani 1 d . .
N7B N -0.1401(3) -0.0841(3) -0.1887(3) 0.028(2) Uani 1 d . .
C8B C -0.1193(4) -0.0519(4) -0.2344(4) 0.032(2) Uani 1 d . .
H8BA H -0.0969(4) -0.0123(4) -0.2243(4) 0.080 Uiso 1 d R .
N9B N -0.1348(4) -0.0825(4) -0.2987(4) 0.040(2) Uani 1 d . .
C9B C -0.1215(6) -0.0592(6) -0.3611(6) 0.058(3) Uani 1 d . .
H9BA H -0.1369(6) -0.0880(6) -0.4004(6) 0.080 Uiso 1 d R .
H9BB H -0.1394(6) -0.0175(6) -0.3740(6) 0.080 Uiso 1 d R .
H9BC H -0.0776(6) -0.0561(6) -0.3486(6) 0.080 Uiso 1 d R .
N1C N -0.0877(3) -0.3722(3) -0.0723(4) 0.031(2) Uani 1 d . .
C2C C -0.0432(5) -0.4038(4) -0.0920(5) 0.038(2) Uani 1 d . .
H2CA H -0.0050(5) -0.4094(4) -0.0544(5) 0.080 Uiso 1 d R .
N3C N -0.0437(4) -0.4280(4) -0.1541(4) 0.040(2) Uani 1 d . .
C4C C -0.0990(5) -0.4156(4) -0.2040(5) 0.036(2) Uani 1 d . .
C5C C -0.1453(4) -0.3819(4) -0.1918(4) 0.032(2) Uani 1 d . .
C6C C -0.1417(4) -0.3585(4) -0.1246(4) 0.029(2) Uani 1 d . .
N6C N -0.1909(4) -0.3294(3) -0.1184(3) 0.031(2) Uani 1 d . .
H6CA H -0.1937(4) -0.3145(3) -0.0773(3) 0.080 Uiso 1 d R .
N7C N -0.1959(4) -0.3761(4) -0.2528(4) 0.034(2) Uani 1 d . .
C8C C -0.1777(5) -0.4076(4) -0.3006(5) 0.039(2) Uani 1 d . .
H8CA H -0.2026(5) -0.4120(4) -0.3493(5) 0.080 Uiso 1 d R .
N9C N -0.1204(4) -0.4327(4) -0.2748(4) 0.038(2) Uani 1 d . .
C9C C -0.0883(6) -0.4730(5) -0.3111(6) 0.053(3) Uani 1 d . .
H9CA H -0.1133(6) -0.4780(5) -0.3596(6) 0.080 Uiso 1 d R .
H9CB H -0.0503(6) -0.4523(5) -0.3088(6) 0.080 Uiso 1 d R .
H9CC H -0.0798(6) -0.5144(5) -0.2890(6) 0.080 Uiso 1 d R .
O1 O 0.1659(4) -0.4119(4) 0.1084(4) 0.061(2) Uani 1 d . .
C13 C 0.1912(9) -0.4560(8) 0.0740(8) 0.099(6) Uani 1 d . .
H13A H 0.1651(9) -0.4931(8) 0.0609(8) 0.080 Uiso 1 d R .
H13B H 0.2307(9) -0.4698(8) 0.1045(8) 0.080 Uiso 1 d R .
C14 C 0.1968(12) -0.4283(10) 0.0085(9) 0.146(10) Uani 1 d . .
H14A H 0.2144(12) -0.4587(10) -0.0157(9) 0.080 Uiso 1 d R .
H14B H 0.1571(12) -0.4151(10) -0.0221(9) 0.080 Uiso 1 d R .
H14C H 0.2233(12) -0.3915(10) 0.0219(9) 0.080 Uiso 1 d R .
C15 C 0.1619(7) -0.4319(6) 0.1743(6) 0.069(4) Uani 1 d . .
H15A H 0.2025(7) -0.4437(6) 0.2040(6) 0.080 Uiso 1 d R .
H15B H 0.1357(7) -0.4686(6) 0.1698(6) 0.080 Uiso 1 d R .
C16 C 0.1401(6) -0.3803(7) 0.2085(6) 0.071(4) Uani 1 d . .
H16A H 0.1393(6) -0.3938(7) 0.2541(6) 0.080 Uiso 1 d R .
H16B H 0.1667(6) -0.3437(7) 0.2138(6) 0.080 Uiso 1 d R .
H16C H 0.0993(6) -0.3689(7) 0.1793(6) 0.080 Uiso 1 d R .
O2 O 0.0000 -0.0797(8) 0.2500 0.100(5) Uani 1 d S .
C17 C -0.0044(9) -0.1191(8) 0.1913(9) 0.093(5) Uani 1 d . .
H17A H -0.0460(9) -0.1343(8) 0.1739(9) 0.080 Uiso 1 d R .
H17B H 0.0223(9) -0.1555(8) 0.2061(9) 0.080 Uiso 1 d R .
C18 C 0.0063(8) -0.0859(8) 0.1353(7) 0.085(5) Uani 1 d . .
H18A H 0.0014(8) -0.1143(8) 0.0960(7) 0.080 Uiso 1 d R .
H18B H -0.0208(8) -0.0498(8) 0.1202(7) 0.080 Uiso 1 d R .
H18C H 0.0481(8) -0.0711(8) 0.1527(7) 0.080 Uiso 1 d R .
O3 O -0.0483(4) -0.2497(4) -0.1952(4) 0.065(2) Uiso 1 d D .
H31 H -0.0254(4) -0.2192(4) -0.2035(4) 0.050 Uiso 1 d RD .
H32 H -0.0557(4) -0.2736(4) -0.2326(4) 0.050 Uiso 1 d RD .
O4 O -0.0579(16) -0.2997(15) -0.3464(7) 0.345(18) Uiso 1 d D .
H41 H -0.0644(16) -0.2726(15) -0.3173(7) 0.050 Uiso 1 d RD .
H42 H -0.0219(16) -0.2899(15) -0.3479(7) 0.050 Uiso 1 d RD .
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'
O O 0.0106 0.0060 '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
C10A Pt1 C12A 86.6(4) . . ?
C10A Pt1 C11A 87.7(4) . . ?
C12A Pt1 C11A 88.9(4) . . ?
C10A Pt1 N7A 175.1(3) . . ?
C12A Pt1 N7A 97.9(4) . . ?
C11A Pt1 N7A 90.2(4) . . ?
C10A Pt1 N6A 96.3(3) . . ?
C12A Pt1 N6A 177.1(4) . . ?
C11A Pt1 N6A 90.6(3) . . ?
N7A Pt1 N6A 79.2(3) . . ?
C10A Pt1 N1C 94.5(3) . . ?
C12A Pt1 N1C 90.5(3) . . ?
C11A Pt1 N1C 177.7(4) . . ?
N7A Pt1 N1C 87.6(3) . . ?
N6A Pt1 N1C 89.9(2) . . ?
C11B Pt2 C12B 87.2(4) . . ?
C11B Pt2 C10B 88.0(4) . . ?
C12B Pt2 C10B 88.2(4) . . ?
C11B Pt2 N6B 90.3(4) . . ?
C12B Pt2 N6B 95.1(3) . . ?
C10B Pt2 N6B 176.2(3) . . ?
C11B Pt2 N1A 177.1(3) . . ?
C12B Pt2 N1A 95.7(3) . . ?
C10B Pt2 N1A 92.5(4) . . ?
N6B Pt2 N1A 89.0(3) . . ?
C11B Pt2 N7B 90.1(3) . . ?
C12B Pt2 N7B 173.8(3) . . ?
C10B Pt2 N7B 97.3(3) . . ?
N6B Pt2 N7B 79.3(3) . . ?
N1A Pt2 N7B 87.0(3) . . ?
C11C Pt3 C12C 86.6(5) . . ?
C11C Pt3 C10C 89.1(4) . . ?
C12C Pt3 C10C 89.2(5) . . ?
C11C Pt3 N6C 94.3(4) . . ?
C12C Pt3 N6C 89.4(4) . . ?
C10C Pt3 N6C 176.3(4) . . ?
C11C Pt3 N7C 174.1(3) . . ?
C12C Pt3 N7C 91.5(4) . . ?
C10C Pt3 N7C 96.5(4) . . ?
N6C Pt3 N7C 80.1(3) . . ?
C11C Pt3 N1B 96.0(4) . . ?
C12C Pt3 N1B 177.4(4) . . ?
C10C Pt3 N1B 90.6(4) . . ?
N6C Pt3 N1B 90.6(3) . . ?
N7C Pt3 N1B 85.9(3) . . ?
C2A N1A C6A 118.3(8) . . ?
C2A N1A Pt2 118.0(6) . . ?
C6A N1A Pt2 123.6(6) . . ?
N3A C2A N1A 130.7(9) . . ?
C2A N3A C4A 110.0(8) . . ?
C5A C4A N3A 125.2(9) . . ?
C5A C4A N9A 105.9(8) . . ?
N3A C4A N9A 129.0(8) . . ?
C4A C5A N7A 112.3(8) . . ?
C4A C5A C6A 122.6(8) . . ?
N7A C5A C6A 125.0(8) . . ?
N6A C6A N1A 130.0(8) . . ?
N6A C6A C5A 117.0(7) . . ?
N1A C6A C5A 113.1(7) . . ?
C6A N6A Pt1 112.6(6) . . ?
C8A N7A C5A 103.9(7) . . ?
C8A N7A Pt1 150.0(6) . . ?
C5A N7A Pt1 105.9(6) . . ?
N7A C8A N9A 111.4(8) . . ?
C8A N9A C4A 106.5(8) . . ?
C8A N9A C9A 127.6(9) . . ?
C4A N9A C9A 126.0(8) . . ?
C2B N1B C6B 118.1(8) . . ?
C2B N1B Pt3 119.2(6) . . ?
C6B N1B Pt3 122.6(5) . . ?
N3B C2B N1B 132.1(8) . . ?
C2B N3B C4B 109.3(7) . . ?
C5B C4B N3B 124.7(8) . . ?
C5B C4B N9B 105.6(7) . . ?
N3B C4B N9B 129.6(7) . . ?
C4B C5B N7B 111.4(8) . . ?
C4B C5B C6B 122.8(8) . . ?
N7B C5B C6B 125.9(7) . . ?
C6B N6B Pt2 113.0(6) . . ?
N6B C6B N1B 129.9(8) . . ?
N6B C6B C5B 117.1(8) . . ?
N1B C6B C5B 113.0(7) . . ?
C8B N7B C5B 105.2(7) . . ?
C8B N7B Pt2 150.1(6) . . ?
C5B N7B Pt2 104.7(5) . . ?
N7B C8B N9B 111.4(8) . . ?
C8B N9B C4B 106.4(7) . . ?
C8B N9B C9B 125.7(9) . . ?
C4B N9B C9B 127.9(8) . . ?
C2C N1C C6C 117.1(7) . . ?
C2C N1C Pt1 118.1(6) . . ?
C6C N1C Pt1 124.4(6) . . ?
N3C C2C N1C 131.4(9) . . ?
C2C N3C C4C 109.6(8) . . ?
C5C C4C N3C 124.4(8) . . ?
C5C C4C N9C 106.0(8) . . ?
N3C C4C N9C 129.6(9) . . ?
C4C C5C N7C 111.6(8) . . ?
C4C C5C C6C 122.7(8) . . ?
N7C C5C C6C 125.6(8) . . ?
N6C C6C N1C 128.0(7) . . ?
N6C C6C C5C 117.3(8) . . ?
N1C C6C C5C 114.6(8) . . ?
C6C N6C Pt3 112.1(5) . . ?
C8C N7C C5C 102.7(8) . . ?
C8C N7C Pt3 152.4(7) . . ?
C5C N7C Pt3 104.9(5) . . ?
N7C C8C N9C 114.1(8) . . ?
C8C N9C C4C 105.7(7) . . ?
C8C N9C C9C 128.3(8) . . ?
C4C N9C C9C 126.0(9) . . ?
C13 O1 C15 115.6(10) . . ?
O1 C13 C14 110.7(13) . . ?
O1 C15 C16 110.9(10) . . ?
C17 O2 C17 108.8(19) . 2 ?
C18 C17 O2 113.2(14) . . ?
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 C10A 2.029(10) . ?
Pt1 C12A 2.061(9) . ?
Pt1 C11A 2.071(9) . ?
Pt1 N7A 2.194(8) . ?
Pt1 N6A 2.201(7) . ?
Pt1 N1C 2.221(7) . ?
Pt2 C11B 2.047(10) . ?
Pt2 C12B 2.056(8) . ?
Pt2 C10B 2.080(9) . ?
Pt2 N6B 2.180(7) . ?
Pt2 N1A 2.197(7) . ?
Pt2 N7B 2.226(7) . ?
Pt3 C11C 2.029(10) . ?
Pt3 C12C 2.040(10) . ?
Pt3 C10C 2.049(10) . ?
Pt3 N6C 2.183(7) . ?
Pt3 N7C 2.204(8) . ?
Pt3 N1B 2.211(7) . ?
N1A C2A 1.369(12) . ?
N1A C6A 1.385(10) . ?
C2A N3A 1.318(13) . ?
N3A C4A 1.367(12) . ?
C4A C5A 1.340(13) . ?
C4A N9A 1.392(12) . ?
C5A N7A 1.379(11) . ?
C5A C6A 1.421(12) . ?
C6A N6A 1.301(11) . ?
N7A C8A 1.348(12) . ?
C8A N9A 1.370(12) . ?
N9A C9A 1.445(13) . ?
N1B C2B 1.354(11) . ?
N1B C6B 1.400(10) . ?
C2B N3B 1.326(13) . ?
N3B C4B 1.376(11) . ?
C4B C5B 1.363(11) . ?
C4B N9B 1.397(12) . ?
C5B N7B 1.371(11) . ?
C5B C6B 1.415(12) . ?
N6B C6B 1.300(10) . ?
N7B C8B 1.338(11) . ?
C8B N9B 1.374(11) . ?
N9B C9B 1.457(12) . ?
N1C C2C 1.374(12) . ?
N1C C6C 1.370(11) . ?
C2C N3C 1.334(12) . ?
N3C C4C 1.362(13) . ?
C4C C5C 1.359(13) . ?
C4C N9C 1.387(11) . ?
C5C N7C 1.392(11) . ?
C5C C6C 1.405(11) . ?
C6C N6C 1.322(11) . ?
N7C C8C 1.332(12) . ?
C8C N9C 1.354(13) . ?
N9C C9C 1.453(12) . ?
O1 C13 1.38(2) . ?
O1 C15 1.411(14) . ?
C13 C14 1.47(2) . ?
C15 C16 1.45(2) . ?
O2 C17 1.41(2) . ?
O2 C17 1.41(2) 2 ?
C17 C18 1.40(2) . ?
