#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:19:50 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180034 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/28/7032861.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_7032861
loop_
_publ_author_name
'Johnstone, Timothy C.'
'Alexander, Sarah M.'
'Wilson, Justin J.'
'Lippard, Stephen J.'
_publ_section_title
;
 Oxidative halogenation of cisplatin and carboplatin: synthesis,
 spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              119
_journal_page_last               129
_journal_paper_doi               10.1039/c4dt02627f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety
'C12 H22 I2 N4 O8 Pt2, C4 H10 O, 3(C3 H7 N O)'
_chemical_formula_sum            'C25 H53 I2 N7 O12 Pt2'
_chemical_formula_weight         1287.72
_chemical_name_systematic
;
bis(mu-amido)amminecyclobutanedicarboxylatoiodoplatinum(IV)tris(dimethylformamide) diethylether
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.816(2)
_cell_angle_beta                 100.174(2)
_cell_angle_gamma                118.6500(10)
_cell_formula_units_Z            2
_cell_length_a                   13.0123(11)
_cell_length_b                   13.2677(11)
_cell_length_c                   13.388(2)
_cell_measurement_reflns_used    727
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.12
_cell_measurement_theta_min      0.35
_cell_volume                     1958.0(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            38217
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    8.775
_exptl_absorpt_correction_T_max  0.9174
_exptl_absorpt_correction_T_min  0.2728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.184
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1220
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.263
_refine_diff_density_min         -1.045
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         9716
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0227
_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)+(0.0220P)²+0.9710P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0452
_refine_ls_wR_factor_ref         0.0488
_reflns_number_gt                8226
_reflns_number_total             9716
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02627f2.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7032857--7032866.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7032861
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt11 Pt 0.459927(12) 0.868629(12) -0.011546(9) 0.01205(4) Uani 1 1 d . . .
I5 I 0.40958(2) 0.70611(2) -0.169715(17) 0.02137(6) Uani 1 1 d . . .
O111 O 0.4230(2) 0.7616(2) 0.09102(18) 0.0170(5) Uani 1 1 d . . .
O112 O 0.6369(2) 0.9219(2) 0.02096(18) 0.0164(5) Uani 1 1 d . . .
O113 O 0.8000(3) 0.9263(3) 0.1008(3) 0.0376(8) Uani 1 1 d . . .
O114 O 0.4711(2) 0.6857(2) 0.21695(18) 0.0198(6) Uani 1 1 d . . .
N11 N 0.4961(3) 0.9914(2) -0.1005(2) 0.0134(6) Uani 1 1 d . . .
H51A H 0.4295 0.9730 -0.1522 0.016 Uiso 1 1 calc R . .
H51B H 0.5598 1.0039 -0.1287 0.016 Uiso 1 1 calc R . .
N111 N 0.2839(3) 0.8277(3) -0.0435(2) 0.0164(6) Uani 1 1 d . . .
H51C H 0.2798 0.8921 -0.0213 0.025 Uiso 1 1 calc R . .
H51D H 0.2420 0.7694 -0.0106 0.025 Uiso 1 1 calc R . .
H51E H 0.2514 0.8034 -0.1130 0.025 Uiso 1 1 calc R . .
C111 C 0.4989(3) 0.7383(3) 0.1462(3) 0.0149(7) Uani 1 1 d . . .
C112 C 0.6904(3) 0.8790(3) 0.0811(3) 0.0183(8) Uani 1 1 d . . .
C113 C 0.6184(3) 0.7662(3) 0.1197(3) 0.0165(7) Uani 1 1 d . C .
C114 C 0.5953(4) 0.6562(3) 0.0424(3) 0.0230(8) Uani 1 1 d . . .
H11A H 0.5152 0.5858 0.0341 0.028 Uiso 1 1 calc R A 1
H11B H 0.6117 0.6727 -0.0256 0.028 Uiso 1 1 calc R A 1
C115 C 0.6989(4) 0.7401(3) 0.2011(3) 0.0208(8) Uani 1 1 d . . .
H11C H 0.7797 0.8093 0.2332 0.025 Uiso 1 1 calc R B 1
H11D H 0.6590 0.7025 0.2549 0.025 Uiso 1 1 calc R B 1
C126 C 0.701(3) 0.655(2) 0.1193(12) 0.047(6) Uani 0.45(3) 1 d P C 1
H12A H 0.6785 0.5782 0.1378 0.056 Uiso 0.45(3) 1 calc PR C 1
H12B H 0.7770 0.6881 0.0968 0.056 Uiso 0.45(3) 1 calc PR C 1
C127 C 0.6424(14) 0.6153(10) 0.1345(7) 0.020(3) Uani 0.55(3) 1 d P C 2
H12C H 0.7028 0.5932 0.1233 0.024 Uiso 0.55(3) 1 calc PR C 2
H12D H 0.5776 0.5532 0.1594 0.024 Uiso 0.55(3) 1 calc PR C 2
Pt21 Pt 0.576203(12) -0.042695(12) 0.452079(9) 0.01201(4) Uani 1 1 d . . .
I6 I 0.66424(2) -0.17785(2) 0.507042(18) 0.02091(6) Uani 1 1 d . . .
O211 O 0.6372(2) -0.0146(2) 0.32286(17) 0.0165(5) Uani 1 1 d . . .
O212 O 0.7211(2) 0.1008(2) 0.54406(17) 0.0154(5) Uani 1 1 d . . .
O213 O 0.9049(2) 0.2500(2) 0.58555(18) 0.0221(6) Uani 1 1 d . . .
O214 O 0.7475(2) 0.1153(2) 0.24079(19) 0.0244(6) Uani 1 1 d . . .
N21 N 0.5000(3) -0.0611(3) 0.5740(2) 0.0137(6) Uani 1 1 d . . .
H61A H 0.5568 -0.0329 0.6363 0.016 Uiso 1 1 calc R . .
H61B H 0.4425 -0.1377 0.5710 0.016 Uiso 1 1 calc R . .
N211 N 0.4241(3) -0.1843(3) 0.3603(2) 0.0153(6) Uani 1 1 d . . .
H61C H 0.3777 -0.2286 0.4006 0.023 Uiso 1 1 calc R . .
H61D H 0.4450 -0.2278 0.3215 0.023 Uiso 1 1 calc R . .
H61E H 0.3816 -0.1598 0.3179 0.023 Uiso 1 1 calc R . .
C211 C 0.7376(3) 0.0798(3) 0.3218(2) 0.0143(7) Uani 1 1 d . . .
C212 C 0.8234(3) 0.1667(3) 0.5207(3) 0.0161(7) Uani 1 1 d . . .
C213 C 0.8451(3) 0.1373(3) 0.4165(3) 0.0156(7) Uani 1 1 d . . .
C214 C 0.9579(3) 0.2363(3) 0.3905(3) 0.0225(8) Uani 1 1 d . . .
H21A H 0.9379 0.2697 0.3317 0.027 Uiso 1 1 calc R . .
H21B H 1.0145 0.2991 0.4510 0.027 Uiso 1 1 calc R . .
C215 C 0.9115(4) 0.0642(4) 0.4198(3) 0.0241(9) Uani 1 1 d . . .
H21C H 0.9517 0.0661 0.4906 0.029 Uiso 1 1 calc R . .
H21D H 0.8602 -0.0172 0.3802 0.029 Uiso 1 1 calc R . .
C216 C 0.9989(4) 0.1495(4) 0.3614(3) 0.0333(11) Uani 1 1 d . . .
H21E H 1.0853 0.1782 0.3925 0.040 Uiso 1 1 calc R . .
H21F H 0.9775 0.1195 0.2861 0.040 Uiso 1 1 calc R . .
O1 O 0.1931(3) 0.3176(3) 0.2015(2) 0.0372(8) Uani 1 1 d . . .
C1 C 0.0039(5) 0.1963(5) 0.0791(4) 0.0489(13) Uani 1 1 d . . .
H1A H -0.0019 0.1233 0.0950 0.073 Uiso 1 1 calc R . .
H1B H -0.0387 0.1826 0.0069 0.073 Uiso 1 1 calc R . .
H1C H -0.0329 0.2232 0.1248 0.073 Uiso 1 1 calc R . .
C2 C 0.1330(5) 0.2869(4) 0.0954(4) 0.0423(12) Uani 1 1 d . . .
H2A H 0.1725 0.2566 0.0548 0.051 Uiso 1 1 calc R . .
H2B H 0.1388 0.3573 0.0707 0.051 Uiso 1 1 calc R . .
C3 C 0.3160(5) 0.4003(4) 0.2222(4) 0.0470(13) Uani 1 1 d . . .
H3A H 0.3268 0.4666 0.1876 0.056 Uiso 1 1 calc R . .
H3B H 0.3588 0.3644 0.1939 0.056 Uiso 1 1 calc R . .
C4 C 0.3690(5) 0.4445(5) 0.3358(4) 0.0547(15) Uani 1 1 d . . .
H4A H 0.3234 0.4757 0.3645 0.082 Uiso 1 1 calc R . .
H4B H 0.4536 0.5066 0.3484 0.082 Uiso 1 1 calc R . .
H4C H 0.3649 0.3801 0.3692 0.082 Uiso 1 1 calc R . .
O1S O 0.1156(3) 0.6558(3) 0.0369(2) 0.0337(7) Uani 1 1 d . . .
N1S N 0.0757(3) 0.5745(3) 0.1778(2) 0.0252(7) Uani 1 1 d . . .
C11S C -0.0421(4) 0.5647(4) 0.1640(3) 0.0350(11) Uani 1 1 d . . .
H11E H -0.0549 0.6021 0.1066 0.052 Uiso 1 1 calc R . .
H11F H -0.0459 0.6037 0.2276 0.052 Uiso 1 1 calc R . .
H11G H -0.1050 0.4819 0.1483 0.052 Uiso 1 1 calc R . .
C12S C 0.1159(5) 0.5328(4) 0.2644(3) 0.0405(12) Uani 1 1 d . . .
H12E H 0.1964 0.5448 0.2647 0.061 Uiso 1 1 calc R . .
H12F H 0.0591 0.4491 0.2580 0.061 Uiso 1 1 calc R . .
H12G H 0.1195 0.5761 0.3291 0.061 Uiso 1 1 calc R . .
C13S C 0.1439(4) 0.6187(4) 0.1127(3) 0.0273(9) Uani 1 1 d . . .
H13S H 0.2199 0.6223 0.1249 0.033 Uiso 1 1 calc R . .
O2S O 0.6816(2) 0.3068(2) 0.4817(2) 0.0261(6) Uani 1 1 d . . .
N2S N 0.7589(3) 0.4747(3) 0.4202(2) 0.0235(7) Uani 1 1 d . . .
C21S C 0.8630(4) 0.4661(4) 0.4072(3) 0.0300(10) Uani 1 1 d . . .
H21G H 0.8832 0.4276 0.4604 0.045 Uiso 1 1 calc R . .
H21H H 0.9319 0.5448 0.4140 0.045 Uiso 1 1 calc R . .
H21I H 0.8441 0.4201 0.3386 0.045 Uiso 1 1 calc R . .
C22S C 0.7447(4) 0.5680(4) 0.3829(3) 0.0376(12) Uani 1 1 d . . .
H22A H 0.7383 0.5595 0.3083 0.056 Uiso 1 1 calc R . .
H22B H 0.8150 0.6439 0.4186 0.056 Uiso 1 1 calc R . .
H22C H 0.6713 0.5636 0.3966 0.056 Uiso 1 1 calc R . .
C23S C 0.6749(4) 0.3900(4) 0.4545(3) 0.0272(9) Uani 1 1 d . . .
H23S H 0.6046 0.3939 0.4582 0.033 Uiso 1 1 calc R . .
O3S O 0.3210(2) 0.9257(2) 0.22341(18) 0.0190(6) Uani 1 1 d . . .
N3S N 0.1615(3) 0.9569(3) 0.2076(2) 0.0200(7) Uani 1 1 d . . .
C31S C 0.2212(4) 1.0690(4) 0.1746(3) 0.0285(9) Uani 1 1 d . . .
H31A H 0.3079 1.0970 0.1864 0.043 Uiso 1 1 calc R . .
H31B H 0.2093 1.1263 0.2144 0.043 Uiso 1 1 calc R . .
H31C H 0.1866 1.0588 0.1007 0.043 Uiso 1 1 calc R . .
C32S C 0.0409(4) 0.9170(4) 0.2218(4) 0.0366(11) Uani 1 1 d . . .
H32A H 0.0104 0.8411 0.2433 0.055 Uiso 1 1 calc R . .
H32B H -0.0129 0.9087 0.1564 0.055 Uiso 1 1 calc R . .
H32C H 0.0436 0.9741 0.2751 0.055 Uiso 1 1 calc R . .
C33S C 0.2158(3) 0.8968(3) 0.2290(3) 0.0192(8) Uani 1 1 d . . .
H33S H 0.1713 0.8250 0.2505 0.023 Uiso 1 1 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 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'
I I -0.4742 1.8119 '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'
O O 0.0106 0.0060 '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
O112 Pt11 O111 94.73(10) . .
O112 Pt11 N11 86.93(11) . .
O111 Pt11 N11 172.32(11) . .
O112 Pt11 N111 175.61(11) . .
O111 Pt11 N111 88.19(11) . .
N11 Pt11 N111 89.75(12) . .
O112 Pt11 N11 86.83(11) . 2_675
O111 Pt11 N11 91.14(10) . 2_675
N11 Pt11 N11 81.44(11) . 2_675
N111 Pt11 N11 89.84(12) . 2_675
O112 Pt11 I5 92.55(7) . .
O111 Pt11 I5 95.39(7) . .
N11 Pt11 I5 92.03(8) . .
N111 Pt11 I5 90.43(8) . .
N11 Pt11 I5 173.47(8) 2_675 .
O112 Pt11 Pt11 85.88(7) . 2_675
O111 Pt11 Pt11 131.38(7) . 2_675
N11 Pt11 Pt11 41.18(8) . 2_675
N111 Pt11 Pt11 89.73(9) . 2_675
N11 Pt11 Pt11 40.26(8) 2_675 2_675
I5 Pt11 Pt11 133.211(10) . 2_675
C111 O111 Pt11 125.7(2) . .
C112 O112 Pt11 125.8(2) . .
Pt11 N11 Pt11 98.56(11) . 2_675
O114 C111 O111 119.4(3) . .
O114 C111 C113 118.8(3) . .
O111 C111 C113 121.6(3) . .
O113 C112 O112 118.6(3) . .
O113 C112 C113 119.4(3) . .
O112 C112 C113 121.8(3) . .
C112 C113 C111 120.0(3) . .
C112 C113 C115 113.1(3) . .
C111 C113 C115 112.4(3) . .
C112 C113 C114 110.6(3) . .
C111 C113 C114 108.1(3) . .
C115 C113 C114 87.7(3) . .
C127 C114 C113 89.2(4) . .
C126 C114 C113 88.3(5) . .
C126 C115 C113 91.3(6) . .
C113 C115 C127 89.3(4) . .
C115 C126 C114 89.8(9) . .
C114 C127 C115 89.3(5) . .
O212 Pt21 O211 94.85(10) . .
O212 Pt21 N21 86.67(11) . .
O211 Pt21 N21 171.74(10) . .
O212 Pt21 N211 177.03(11) . .
O211 Pt21 N211 86.45(10) . .
N21 Pt21 N211 91.66(11) . .
O212 Pt21 N21 86.87(11) . 2_656
O211 Pt21 N21 90.79(10) . 2_656
N21 Pt21 N21 81.18(12) . 2_656
N211 Pt21 N21 90.45(12) . 2_656
O212 Pt21 I6 92.13(7) . .
O211 Pt21 I6 96.39(7) . .
N21 Pt21 I6 91.66(8) . .
N211 Pt21 I6 90.38(9) . .
N21 Pt21 I6 172.81(7) 2_656 .
O212 Pt21 Pt21 85.75(7) . 2_656
O211 Pt21 Pt21 130.90(7) . 2_656
N21 Pt21 Pt21 41.04(8) . 2_656
N211 Pt21 Pt21 91.38(8) . 2_656
N21 Pt21 Pt21 40.14(7) 2_656 2_656
I6 Pt21 Pt21 132.698(10) . 2_656
C211 O211 Pt21 122.1(2) . .
C212 O212 Pt21 126.3(2) . .
Pt21 N21 Pt21 98.82(12) . 2_656
O214 C211 O211 118.6(3) . .
O214 C211 C213 120.3(3) . .
O211 C211 C213 120.8(3) . .
O213 C212 O212 119.1(3) . .
O213 C212 C213 119.5(3) . .
O212 C212 C213 121.3(3) . .
C212 C213 C211 118.2(3) . .
C212 C213 C214 115.1(3) . .
C211 C213 C214 110.6(3) . .
C212 C213 C215 113.3(3) . .
C211 C213 C215 108.3(3) . .
C214 C213 C215 87.1(3) . .
C216 C214 C213 90.5(3) . .
C216 C215 C213 88.9(3) . .
C214 C216 C215 88.6(3) . .
C3 O1 C2 113.5(4) . .
O1 C2 C1 110.4(4) . .
O1 C3 C4 110.8(4) . .
C13S N1S C12S 120.8(4) . .
C13S N1S C11S 121.2(4) . .
C12S N1S C11S 118.0(3) . .
O1S C13S N1S 124.5(4) . .
C23S N2S C21S 118.5(3) . .
C23S N2S C22S 123.0(4) . .
C21S N2S C22S 118.1(4) . .
O2S C23S N2S 124.5(4) . .
C33S N3S C32S 120.7(3) . .
C33S N3S C31S 122.1(3) . .
C32S N3S C31S 117.1(3) . .
O3S C33S N3S 125.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt11 O112 2.006(2) .
Pt11 O111 2.010(2) .
Pt11 N11 2.020(3) .
Pt11 N111 2.036(3) .
Pt11 N11 2.058(3) 2_675
Pt11 I5 2.6366(4) .
Pt11 Pt11 3.0910(4) 2_675
O111 C111 1.299(4) .
O112 C112 1.310(4) .
O113 C112 1.217(4) .
O114 C111 1.227(4) .
N11 Pt11 2.058(3) 2_675
C111 C113 1.532(5) .
C112 C113 1.529(5) .
C113 C115 1.554(5) .
C113 C114 1.584(5) .
C114 C127 1.535(10) .
C114 C126 1.566(16) .
C115 C126 1.513(15) .
C115 C127 1.560(11) .
Pt21 O212 2.010(2) .
Pt21 O211 2.018(2) .
Pt21 N21 2.029(3) .
Pt21 N211 2.036(3) .
Pt21 N21 2.067(3) 2_656
Pt21 I6 2.6387(3) .
Pt21 Pt21 3.1100(3) 2_656
O211 C211 1.310(4) .
O212 C212 1.308(4) .
O213 C212 1.221(4) .
O214 C211 1.221(4) .
N21 Pt21 2.067(3) 2_656
C211 C213 1.528(5) .
C212 C213 1.527(5) .
C213 C214 1.552(5) .
C213 C215 1.577(5) .
C214 C216 1.534(6) .
C215 C216 1.554(6) .
O1 C3 1.395(6) .
O1 C2 1.414(5) .
C1 C2 1.485(7) .
C3 C4 1.492(7) .
O1S C13S 1.238(5) .
N1S C13S 1.324(5) .
N1S C12S 1.448(5) .
N1S C11S 1.450(5) .
O2S C23S 1.228(5) .
N2S C23S 1.324(5) .
N2S C21S 1.451(5) .
N2S C22S 1.451(5) .
O3S C33S 1.250(4) .
N3S C33S 1.314(5) .
N3S C32S 1.450(5) .
N3S C31S 1.461(5) .
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
N11 H51A O214 0.92 2.07 2.954(4) 159.8 2_665
N11 H51A O211 0.92 2.50 3.287(4) 143.9 2_665
N11 H51B O3S 0.92 2.10 2.960(4) 156.0 2_675
N111 H51C O112 0.91 2.17 2.938(4) 141.8 2_675
N111 H51D O1S 0.91 1.88 2.759(4) 161.8 .
N111 H51E O214 0.91 2.10 2.822(4) 136.0 2_665
N21 H61A O3S 0.92 2.10 2.991(4) 163.0 2_666
N21 H61B O2S 0.92 2.00 2.889(4) 162.3 2_656
N211 H61C O2S 0.91 2.02 2.910(4) 164.4 2_656
N211 H61D O114 0.91 1.91 2.812(4) 168.5 1_545
N211 H61E O3S 0.91 2.06 2.958(4) 167.8 1_545
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_4
O112 Pt11 O111 C111 -5.1(3) . .
N111 Pt11 O111 C111 178.2(3) . .
N11 Pt11 O111 C111 -92.0(3) 2_675 .
I5 Pt11 O111 C111 87.9(3) . .
Pt11 Pt11 O111 C111 -93.8(3) 2_675 .
O111 Pt11 O112 C112 7.5(3) . .
N11 Pt11 O112 C112 -180.0(3) . .
N11 Pt11 O112 C112 98.4(3) 2_675 .
I5 Pt11 O112 C112 -88.1(3) . .
Pt11 Pt11 O112 C112 138.8(3) 2_675 .
O112 Pt11 N11 Pt11 -87.25(12) . 2_675
N111 Pt11 N11 Pt11 89.87(13) . 2_675
N11 Pt11 N11 Pt11 0.0 2_675 2_675
I5 Pt11 N11 Pt11 -179.70(9) . 2_675
Pt11 O111 C111 O114 169.2(2) . .
Pt11 O111 C111 C113 -15.8(4) . .
Pt11 O112 C112 O113 -174.0(3) . .
Pt11 O112 C112 C113 11.1(5) . .
O113 C112 C113 C111 149.1(4) . .
O112 C112 C113 C111 -35.9(5) . .
O113 C112 C113 C115 12.6(5) . .
O112 C112 C113 C115 -172.5(3) . .
O113 C112 C113 C114 -83.9(4) . .
O112 C112 C113 C114 91.0(4) . .
O114 C111 C113 C112 -146.4(3) . .
O111 C111 C113 C112 38.6(5) . .
O114 C111 C113 C115 -9.6(5) . .
O111 C111 C113 C115 175.4(3) . .
O114 C111 C113 C114 85.6(4) . .
O111 C111 C113 C114 -89.5(4) . .
C112 C113 C114 C127 129.9(7) . .
C111 C113 C114 C127 -96.8(7) . .
C115 C113 C114 C127 16.0(7) . .
C112 C113 C114 C126 101.4(13) . .
C111 C113 C114 C126 -125.4(13) . .
C115 C113 C114 C126 -12.5(13) . .
C112 C113 C115 C126 -98.5(14) . .
C111 C113 C115 C126 121.7(13) . .
C114 C113 C115 C126 13.0(13) . .
C112 C113 C115 C127 -127.2(7) . .
C111 C113 C115 C127 92.9(7) . .
C114 C113 C115 C127 -15.8(6) . .
C113 C115 C126 C114 -13.1(13) . .
C113 C114 C126 C115 12.9(13) . .
C113 C114 C127 C115 -16.0(6) . .
C113 C115 C127 C114 16.3(6) . .
O212 Pt21 O211 C211 -4.5(3) . .
N211 Pt21 O211 C211 172.8(3) . .
N21 Pt21 O211 C211 82.4(3) 2_656 .
I6 Pt21 O211 C211 -97.2(3) . .
Pt21 Pt21 O211 C211 84.1(3) 2_656 .
O211 Pt21 O212 C212 -11.9(3) . .
N21 Pt21 O212 C212 176.3(3) . .
N21 Pt21 O212 C212 -102.4(3) 2_656 .
I6 Pt21 O212 C212 84.7(3) . .
Pt21 Pt21 O212 C212 -142.6(3) 2_656 .
O212 Pt21 N21 Pt21 87.34(12) . 2_656
N211 Pt21 N21 Pt21 -90.19(13) . 2_656
N21 Pt21 N21 Pt21 0.0 2_656 2_656
I6 Pt21 N21 Pt21 179.38(9) . 2_656
Pt21 O211 C211 O214 -152.0(3) . .
Pt21 O211 C211 C213 34.2(4) . .
Pt21 O212 C212 O213 -178.4(2) . .
Pt21 O212 C212 C213 -1.9(5) . .
O213 C212 C213 C211 -150.0(3) . .
O212 C212 C213 C211 33.6(5) . .
O213 C212 C213 C214 -16.2(5) . .
O212 C212 C213 C214 167.3(3) . .
O213 C212 C213 C215 81.9(4) . .
O212 C212 C213 C215 -94.6(4) . .
O214 C211 C213 C212 134.0(4) . .
O211 C211 C213 C212 -52.2(5) . .
O214 C211 C213 C214 -1.6(5) . .
O211 C211 C213 C214 172.1(3) . .
O214 C211 C213 C215 -95.5(4) . .
O211 C211 C213 C215 78.3(4) . .
C212 C213 C214 C216 131.1(3) . .
C211 C213 C214 C216 -91.8(3) . .
C215 C213 C214 C216 16.7(3) . .
C212 C213 C215 C216 -132.6(3) . .
C211 C213 C215 C216 94.3(3) . .
C214 C213 C215 C216 -16.4(3) . .
C213 C214 C216 C215 -16.9(3) . .
C213 C215 C216 C214 16.6(3) . .
C3 O1 C2 C1 178.4(4) . .
C2 O1 C3 C4 169.9(4) . .
C12S N1S C13S O1S 179.8(4) . .
C11S N1S C13S O1S 0.7(6) . .
C21S N2S C23S O2S 4.1(6) . .
C22S N2S C23S O2S 176.2(4) . .
C32S N3S C33S O3S -177.0(4) . .
C31S N3S C33S O3S -0.5(6) . .
