#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:49:54 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179209 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/40/4314085.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_4314085
loop_
_publ_author_name
'Jens Müller'
'Eva Freisinger'
'Pablo J. Sanz Miguel'
'Bernhard Lippert'
_publ_contact_author_address
; Fachbereich Chemie
  Universität Dortmund
  Otto-Hahn-Str. 6
  D-44221 Dortmund
  Germany
;
_publ_contact_author_email       bernhard.lippert@uni-dortmund.de
_publ_contact_author_fax         'Int. code + (231) 755-3797'
_publ_contact_author_name        'Prof. Bernhard Lippert'
_publ_contact_author_phone       '231 755-3840'
_publ_section_title
;
 Diplatinum(III) Complexes with Four Bridging 1-Methylcytosinato
 Nucleobases Derived from a Mononuclear trans-(NH3)2PtII Complex and CuII
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5117
_journal_page_last               5125
_journal_paper_doi               10.1021/ic0343152
_journal_volume                  42
_journal_year                    2003
_chemical_formula_structural     '[(NO2)Pt(1-MeC)4Pt](ClO4) * 6H2O'
_chemical_formula_sum            'C20 H36 Cl N13 O16 Pt2'
_chemical_formula_weight         1140.25
_chemical_name_systematic        ?
_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
_cell_angle_alpha                91.69(3)
_cell_angle_beta                 112.23(3)
_cell_angle_gamma                93.36(3)
_cell_formula_units_Z            2
_cell_length_a                   11.241(2)
_cell_length_b                   12.370(2)
_cell_length_c                   13.158(3)
_cell_measurement_reflns_used    5662
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.31
_cell_measurement_theta_min      3.03
_cell_volume                     1688.1(7)
_computing_cell_refinement       'DENZO, SCALEPACK (Otwinowski, Minor, 1997)'
_computing_data_collection       'KappaCCD (Nonius BV, Netherlands)'
_computing_data_reduction        'DENZO, SCALEPACK (Otwinowski, Minor, 1997)'
_computing_molecular_graphics    'Siemens SHELXTL-PLUS(VMS)'
_computing_publication_material  SHELXL-93
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '19 vertical, 18 horizontal'
_diffrn_measurement_device       Enraf-Nonius-KappaCCD
_diffrn_measurement_method
;
? frames via ω-rotation (Δω\=1°) and two times ??s per frame
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5662
_diffrn_reflns_theta_max         25.31
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    8.448
_exptl_absorpt_correction_T_max  0.1526
_exptl_absorpt_correction_T_min  0.4987
_exptl_absorpt_correction_type   SCALEPACK
_exptl_crystal_colour            deep-red
_exptl_crystal_density_diffrn    2.243
_exptl_crystal_description       block
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.591
_refine_diff_density_min         -2.285
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.983
_refine_ls_goodness_of_fit_obs   1.061
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         5655
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_restrained_S_obs      1.061
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_obs          0.0339
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0525P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0906
_refine_ls_wR_factor_obs         0.0774
_reflns_number_observed          4251
_reflns_number_total             5662
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic0343152_s_4.cif
_cod_data_source_block           2c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0525P)^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^)+(0.0525P)^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        1688.1(6)
_cod_database_code               4314085
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt 0.60415(2) 0.25336(2) 0.29485(2) 0.02356(10) Uani 1 d . .
Pt2 Pt 0.83755(2) 0.31675(2) 0.38042(2) 0.02453(10) Uani 1 d . .
N1A N 0.5693(6) 0.1276(6) -0.0221(5) 0.039(2) Uani 1 d . .
C1A C 0.4653(9) 0.1092(9) -0.1307(7) 0.061(3) Uani 1 d . .
H1A1 H 0.4937(26) 0.0657(52) -0.1775(20) 0.101(12) Uiso 1 calc R .
H1A2 H 0.4422(50) 0.1776(10) -0.1623(27) 0.101(12) Uiso 1 calc R .
H1A3 H 0.3916(26) 0.0723(53) -0.1233(10) 0.101(12) Uiso 1 calc R .
C2A C 0.5427(8) 0.1762(7) 0.0607(7) 0.043(2) Uani 1 d . .
O2A O 0.4344(6) 0.2019(7) 0.0447(6) 0.078(3) Uani 1 d . .
N3A N 0.6424(6) 0.1956(5) 0.1625(5) 0.0270(14) Uani 1 d . .
C4A C 0.7690(7) 0.1865(6) 0.1737(6) 0.027(2) Uani 1 d . .
N4A N 0.8639(6) 0.2259(5) 0.2627(5) 0.0303(15) Uani 1 d . .
H4A H 0.9412(6) 0.2124(5) 0.2713(5) 0.046(7) Uiso 1 calc R .
C5A C 0.7888(8) 0.1319(7) 0.0855(7) 0.038(2) Uani 1 d . .
H5A H 0.8711(8) 0.1142(7) 0.0938(7) 0.046(7) Uiso 1 calc R .
C6A C 0.6910(9) 0.1061(7) -0.0078(8) 0.047(2) Uani 1 d . .
H6A H 0.7061(9) 0.0723(7) -0.0654(8) 0.046(7) Uiso 1 calc R .
N1B N 0.8762(6) 0.5882(5) 0.2126(6) 0.037(2) Uani 1 d . .
C1B C 0.9911(9) 0.6493(8) 0.2066(9) 0.058(3) Uani 1 d . .
H1B1 H 0.9648(13) 0.7123(32) 0.1652(51) 0.101(12) Uiso 1 calc R .
H1B2 H 1.0317(41) 0.6037(21) 0.1710(54) 0.101(12) Uiso 1 calc R .
H1B3 H 1.0508(32) 0.6712(51) 0.2795(9) 0.101(12) Uiso 1 calc R .
C2B C 0.9001(8) 0.5006(6) 0.2781(7) 0.036(2) Uani 1 d . .
O2B O 1.0083(5) 0.4745(4) 0.3319(5) 0.0396(14) Uani 1 d . .
N3B N 0.7934(6) 0.4431(5) 0.2816(5) 0.0289(15) Uani 1 d . .
C4B C 0.6695(7) 0.4634(6) 0.2223(6) 0.027(2) Uani 1 d . .
N4B N 0.5750(6) 0.3977(5) 0.2250(5) 0.0281(15) Uani 1 d . .
H4B H 0.4975(6) 0.4169(5) 0.1959(5) 0.046(7) Uiso 1 calc R .
C5B C 0.6488(8) 0.5576(6) 0.1574(7) 0.036(2) Uani 1 d . .
H5B H 0.5662(8) 0.5781(6) 0.1185(7) 0.046(7) Uiso 1 calc R .
C6B C 0.7526(9) 0.6141(6) 0.1552(7) 0.040(2) Uani 1 d . .
H6B H 0.7404(9) 0.6742(6) 0.1125(7) 0.046(7) Uiso 1 calc R .
N1C N 0.4645(7) 0.3403(6) 0.5447(6) 0.046(2) Uani 1 d . .
C1C C 0.3480(12) 0.3117(9) 0.5675(11) 0.084(4) Uani 1 d . .
H1C1 H 0.2727(12) 0.3216(56) 0.5035(23) 0.101(12) Uiso 1 calc R .
H1C2 H 0.3483(38) 0.3575(42) 0.6278(41) 0.101(12) Uiso 1 calc R .
H1C3 H 0.3473(37) 0.2372(21) 0.5862(60) 0.101(12) Uiso 1 calc R .
C2C C 0.4809(9) 0.2861(7) 0.4585(8) 0.043(2) Uani 1 d . .
O2C O 0.4015(7) 0.2135(6) 0.4051(7) 0.084(3) Uani 1 d . .
N3C N 0.5880(6) 0.3177(5) 0.4355(5) 0.0296(15) Uani 1 d . .
C4C C 0.6869(7) 0.3866(6) 0.5063(6) 0.030(2) Uani 1 d . .
N4C N 0.7938(6) 0.4014(5) 0.4921(5) 0.034(2) Uani 1 d . .
H4C H 0.8499(6) 0.4507(5) 0.5332(5) 0.046(7) Uiso 1 calc R .
C5C C 0.6655(9) 0.4416(8) 0.5952(7) 0.044(2) Uani 1 d . .
H5C H 0.7266(9) 0.4937(8) 0.6413(7) 0.046(7) Uiso 1 calc R .
C6C C 0.5557(10) 0.4162(8) 0.6101(8) 0.052(3) Uani 1 d . .
H6C H 0.5415(10) 0.4519(8) 0.6672(8) 0.046(7) Uiso 1 calc R .
N1D N 1.0068(6) 0.0941(6) 0.6165(5) 0.038(2) Uani 1 d . .
C1D C 1.1349(9) 0.0910(8) 0.7079(7) 0.054(3) Uani 1 d . .
H1D1 H 1.1583(33) 0.0174(10) 0.7163(40) 0.101(12) Uiso 1 calc R .
H1D2 H 1.1305(21) 0.1194(56) 0.7750(14) 0.101(12) Uiso 1 calc R .
H1D3 H 1.1985(16) 0.1341(48) 0.6914(28) 0.101(12) Uiso 1 calc R .
C2D C 0.9845(7) 0.1831(6) 0.5531(6) 0.031(2) Uani 1 d . .
O2D O 1.0665(5) 0.2583(5) 0.5659(5) 0.046(2) Uani 1 d . .
N3D N 0.8635(6) 0.1850(5) 0.4728(5) 0.0280(14) Uani 1 d . .
C4D C 0.7672(7) 0.1054(6) 0.4529(6) 0.029(2) Uani 1 d . .
N4D N 0.6550(6) 0.1151(5) 0.3740(5) 0.0292(15) Uani 1 d . .
H4D H 0.5999(6) 0.0596(5) 0.3547(5) 0.046(7) Uiso 1 calc R .
C5D C 0.7972(8) 0.0142(7) 0.5190(7) 0.041(2) Uani 1 d . .
H5D H 0.7363(8) -0.0439(7) 0.5071(7) 0.046(7) Uiso 1 calc R .
C6D C 0.9138(8) 0.0132(7) 0.5979(7) 0.039(2) Uani 1 d . .
H6D H 0.9320(8) -0.0457(7) 0.6422(7) 0.046(7) Uiso 1 calc R .
N20 N 0.4134(12) 0.2011(9) 0.2227(9) 0.087(3) Uani 1 d . .
O21 O 0.3348(9) 0.2765(8) 0.1989(9) 0.103(3) Uani 1 d . .
O22 O 0.3792(9) 0.1021(7) 0.2038(7) 0.097(3) Uani 1 d . .
Cl1 Cl 0.2693(2) 0.5953(2) 0.0680(2) 0.0519(6) Uani 1 d . .
O11 O 0.3083(7) 0.4937(6) 0.1106(7) 0.088(3) Uani 1 d . .
O12 O 0.3251(14) 0.6267(7) -0.0016(10) 0.139(5) Uani 1 d . .
O13 O 0.1477(15) 0.5705(16) -0.0203(16) 0.128(8) Uani 0.60 d P 1
O14 O 0.2384(29) 0.6692(16) 0.1322(17) 0.126(8) Uani 0.60 d P 1
O13A O 0.1576(27) 0.6146(32) 0.0642(33) 0.145(14) Uani 0.40 d P 2
O14A O 0.3615(32) 0.6756(19) 0.1517(21) 0.106(9) Uani 0.40 d P 2
O1W O 0.1243(7) 0.1999(8) 0.2661(9) 0.109(3) Uani 1 d . .
O2W O 0.2563(8) 0.8242(7) 0.2899(8) 0.095(3) Uani 1 d . .
O3W O 0.0854(8) 0.3353(7) 0.0932(8) 0.093(3) Uani 1 d . .
O4W O 0.0837(9) 0.9578(8) 0.1482(8) 0.109(3) Uani 1 d . .
O5W O 0.8587(48) 0.8483(43) -0.0255(28) 0.150(18) Uani 0.50 d P .
O6W O 0.4919(31) 0.9244(20) 0.3939(21) 0.068(7) Uani 0.50 d P .
O5WA O -0.1464(32) 0.8511(29) 0.0190(19) 0.069(7) Uani 0.50 d P .
O6WA O 0.5319(37) 0.0346(25) -0.3996(35) 0.142(17) Uani 0.50 d P .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
N4B Pt1 N4D 173.4(2) . . ?
N4B Pt1 N20 92.7(4) . . ?
N4D Pt1 N20 93.9(4) . . ?
N4B Pt1 N3A 88.2(2) . . ?
N4D Pt1 N3A 91.9(2) . . ?
N20 Pt1 N3A 92.6(3) . . ?
N4B Pt1 N3C 91.3(3) . . ?
N4D Pt1 N3C 87.8(3) . . ?
N20 Pt1 N3C 94.0(3) . . ?
N3A Pt1 N3C 173.4(2) . . ?
N4B Pt1 Pt2 87.0(2) . . ?
N4D Pt1 Pt2 86.3(2) . . ?
N20 Pt1 Pt2 179.2(3) . . ?
N3A Pt1 Pt2 86.6(2) . . ?
N3C Pt1 Pt2 86.8(2) . . ?
N4C Pt2 N4A 174.5(2) . . ?
N4C Pt2 N3B 89.3(3) . . ?
N4A Pt2 N3B 90.9(3) . . ?
N4C Pt2 N3D 90.4(3) . . ?
N4A Pt2 N3D 88.8(3) . . ?
N3B Pt2 N3D 174.5(2) . . ?
N4C Pt2 Pt1 86.9(2) . . ?
N4A Pt2 Pt1 87.7(2) . . ?
N3B Pt2 Pt1 86.9(2) . . ?
N3D Pt2 Pt1 87.6(2) . . ?
C6A N1A C2A 121.1(7) . . ?
C6A N1A C1A 120.2(7) . . ?
C2A N1A C1A 118.4(7) . . ?
O2A C2A N1A 120.6(8) . . ?
O2A C2A N3A 121.3(8) . . ?
N1A C2A N3A 118.1(7) . . ?
C4A N3A C2A 120.4(6) . . ?
C4A N3A Pt1 119.5(5) . . ?
C2A N3A Pt1 119.8(5) . . ?
N4A C4A N3A 120.3(6) . . ?
N4A C4A C5A 122.8(7) . . ?
N3A C4A C5A 116.9(6) . . ?
C4A N4A Pt2 123.0(5) . . ?
C6A C5A C4A 120.3(8) . . ?
C5A C6A N1A 121.7(8) . . ?
C6B N1B C2B 120.8(7) . . ?
C6B N1B C1B 123.0(7) . . ?
C2B N1B C1B 116.2(7) . . ?
O2B C2B N3B 120.5(8) . . ?
O2B C2B N1B 123.6(7) . . ?
N3B C2B N1B 116.0(7) . . ?
C4B N3B C2B 124.9(7) . . ?
C4B N3B Pt2 121.8(5) . . ?
C2B N3B Pt2 113.3(5) . . ?
N4B C4B N3B 119.8(7) . . ?
N4B C4B C5B 123.0(7) . . ?
N3B C4B C5B 117.2(7) . . ?
C4B N4B Pt1 122.7(5) . . ?
C6B C5B C4B 117.6(8) . . ?
C5B C6B N1B 123.4(8) . . ?
C6C N1C C2C 120.7(7) . . ?
C6C N1C C1C 120.4(8) . . ?
C2C N1C C1C 118.9(8) . . ?
O2C C2C N1C 119.6(8) . . ?
O2C C2C N3C 122.5(8) . . ?
N1C C2C N3C 117.9(7) . . ?
C4C N3C C2C 121.8(7) . . ?
C4C N3C Pt1 119.0(5) . . ?
C2C N3C Pt1 119.2(5) . . ?
N4C C4C N3C 120.6(7) . . ?
N4C C4C C5C 121.9(7) . . ?
N3C C4C C5C 117.5(7) . . ?
C4C N4C Pt2 124.1(5) . . ?
C6C C5C C4C 118.7(8) . . ?
C5C C6C N1C 122.4(8) . . ?
C6D N1D C2D 120.8(7) . . ?
C6D N1D C1D 120.9(8) . . ?
C2D N1D C1D 118.3(7) . . ?
O2D C2D N3D 120.3(7) . . ?
O2D C2D N1D 123.2(7) . . ?
N3D C2D N1D 116.4(7) . . ?
C4D N3D C2D 124.2(7) . . ?
C4D N3D Pt2 121.2(5) . . ?
C2D N3D Pt2 114.6(5) . . ?
N4D C4D N3D 119.3(7) . . ?
N4D C4D C5D 123.9(7) . . ?
N3D C4D C5D 116.7(7) . . ?
C4D N4D Pt1 123.7(5) . . ?
C6D C5D C4D 119.0(8) . . ?
C5D C6D N1D 122.8(8) . . ?
O22 N20 O21 124.0(12) . . ?
O22 N20 Pt1 120.7(9) . . ?
O21 N20 Pt1 115.3(8) . . ?
O13A Cl1 O12 127.5(19) . . ?
O12 Cl1 O14 121.6(10) . . ?
O13A Cl1 O11 113.2(18) . . ?
O12 Cl1 O11 111.9(6) . . ?
O14 Cl1 O11 118.5(10) . . ?
O12 Cl1 O13 91.9(11) . . ?
O14 Cl1 O13 101.7(14) . . ?
O11 Cl1 O13 104.7(9) . . ?
O13A Cl1 O14A 106.1(20) . . ?
O12 Cl1 O14A 87.7(13) . . ?
O11 Cl1 O14A 103.8(10) . . ?
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 N4B 2.019(6) . ?
Pt1 N4D 2.027(6) . ?
Pt1 N20 2.044(12) . ?
Pt1 N3A 2.063(6) . ?
Pt1 N3C 2.067(6) . ?
Pt1 Pt2 2.4976(9) . ?
Pt2 N4C 2.004(6) . ?
Pt2 N4A 2.008(6) . ?
Pt2 N3B 2.025(6) . ?
Pt2 N3D 2.031(6) . ?
N1A C6A 1.352(11) . ?
N1A C2A 1.366(10) . ?
N1A C1A 1.464(10) . ?
C2A O2A 1.218(10) . ?
C2A N3A 1.387(10) . ?
N3A C4A 1.386(9) . ?
C4A N4A 1.307(9) . ?
C4A C5A 1.421(10) . ?
C5A C6A 1.315(12) . ?
N1B C6B 1.370(10) . ?
N1B C2B 1.379(11) . ?
N1B C1B 1.486(11) . ?
C2B O2B 1.222(10) . ?
C2B N3B 1.375(10) . ?
N3B C4B 1.357(9) . ?
C4B N4B 1.311(9) . ?
C4B C5B 1.443(11) . ?
C5B C6B 1.335(12) . ?
N1C C6C 1.358(12) . ?
N1C C2C 1.378(10) . ?
N1C C1C 1.476(11) . ?
C2C O2C 1.221(10) . ?
C2C N3C 1.386(10) . ?
N3C C4C 1.375(10) . ?
C4C N4C 1.287(9) . ?
C4C C5C 1.440(11) . ?
C5C C6C 1.343(12) . ?
N1D C6D 1.351(11) . ?
N1D C2D 1.378(10) . ?
N1D C1D 1.490(10) . ?
C2D O2D 1.231(9) . ?
C2D N3D 1.373(10) . ?
N3D C4D 1.362(9) . ?
C4D N4D 1.310(10) . ?
C4D C5D 1.422(12) . ?
C5D C6D 1.330(11) . ?
N20 O22 1.251(12) . ?
N20 O21 1.286(13) . ?
Cl1 O13A 1.27(2) . ?
Cl1 O12 1.346(10) . ?
Cl1 O14 1.371(15) . ?
Cl1 O11 1.416(8) . ?
Cl1 O13 1.429(14) . ?
Cl1 O14A 1.49(2) . ?
O5W O5WA 0.61(6) 1_655 ?
O6W O6WA 0.60(5) 2_665 ?
O5WA O5W 0.61(6) 1_455 ?
O6WA O6W 0.60(5) 2_665 ?
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
N4B Pt1 Pt2 N4C 79.7(3) . . . . ?
N4D Pt1 Pt2 N4C -99.9(3) . . . . ?
N20 Pt1 Pt2 N4C 154.0(226) . . . . ?
N3A Pt1 Pt2 N4C 168.0(2) . . . . ?
N3C Pt1 Pt2 N4C -11.8(3) . . . . ?
N4B Pt1 Pt2 N4A -100.9(3) . . . . ?
N4D Pt1 Pt2 N4A 79.6(3) . . . . ?
N20 Pt1 Pt2 N4A -26.5(226) . . . . ?
N3A Pt1 Pt2 N4A -12.5(2) . . . . ?
N3C Pt1 Pt2 N4A 167.7(2) . . . . ?
N4B Pt1 Pt2 N3B -9.8(2) . . . . ?
N4D Pt1 Pt2 N3B 170.7(2) . . . . ?
N20 Pt1 Pt2 N3B 64.5(226) . . . . ?
N3A Pt1 Pt2 N3B 78.6(2) . . . . ?
N3C Pt1 Pt2 N3B -101.3(3) . . . . ?
N4B Pt1 Pt2 N3D 170.2(2) . . . . ?
N4D Pt1 Pt2 N3D -9.3(2) . . . . ?
N20 Pt1 Pt2 N3D -115.5(226) . . . . ?
N3A Pt1 Pt2 N3D -101.4(2) . . . . ?
N3C Pt1 Pt2 N3D 78.7(3) . . . . ?
C6A N1A C2A O2A 175.0(9) . . . . ?
C1A N1A C2A O2A 1.2(14) . . . . ?
C6A N1A C2A N3A -4.8(13) . . . . ?
C1A N1A C2A N3A -178.6(8) . . . . ?
O2A C2A N3A C4A -166.8(9) . . . . ?
N1A C2A N3A C4A 12.9(12) . . . . ?
O2A C2A N3A Pt1 6.9(12) . . . . ?
N1A C2A N3A Pt1 -173.4(6) . . . . ?
N4B Pt1 N3A C4A 101.7(6) . . . . ?
N4D Pt1 N3A C4A -71.7(6) . . . . ?
N20 Pt1 N3A C4A -165.6(6) . . . . ?
N3C Pt1 N3A C4A 15.6(24) . . . . ?
Pt2 Pt1 N3A C4A 14.6(5) . . . . ?
N4B Pt1 N3A C2A -72.0(6) . . . . ?
N4D Pt1 N3A C2A 114.6(6) . . . . ?
N20 Pt1 N3A C2A 20.6(7) . . . . ?
N3C Pt1 N3A C2A -158.1(19) . . . . ?
Pt2 Pt1 N3A C2A -159.2(6) . . . . ?
C2A N3A C4A N4A 165.7(8) . . . . ?
Pt1 N3A C4A N4A -8.1(10) . . . . ?
C2A N3A C4A C5A -15.1(11) . . . . ?
Pt1 N3A C4A C5A 171.2(5) . . . . ?
N3A C4A N4A Pt2 -7.5(10) . . . . ?
C5A C4A N4A Pt2 173.3(6) . . . . ?
N4C Pt2 N4A C4A 20.1(30) . . . . ?
N3B Pt2 N4A C4A -72.0(6) . . . . ?
N3D Pt2 N4A C4A 102.5(6) . . . . ?
Pt1 Pt2 N4A C4A 14.8(6) . . . . ?
N4A C4A C5A C6A -171.2(8) . . . . ?
N3A C4A C5A C6A 9.6(12) . . . . ?
C4A C5A C6A N1A -1.9(14) . . . . ?
C2A N1A C6A C5A -0.6(14) . . . . ?
C1A N1A C6A C5A 173.0(10) . . . . ?
C6B N1B C2B O2B -179.3(7) . . . . ?
C1B N1B C2B O2B 2.3(12) . . . . ?
C6B N1B C2B N3B -0.2(11) . . . . ?
C1B N1B C2B N3B -178.7(7) . . . . ?
O2B C2B N3B C4B -177.7(7) . . . . ?
N1B C2B N3B C4B 3.2(11) . . . . ?
O2B C2B N3B Pt2 -0.5(9) . . . . ?
N1B C2B N3B Pt2 -179.6(5) . . . . ?
N4C Pt2 N3B C4B -77.0(6) . . . . ?
N4A Pt2 N3B C4B 97.5(6) . . . . ?
N3D Pt2 N3B C4B 10.1(28) . . . . ?
Pt1 Pt2 N3B C4B 9.9(5) . . . . ?
N4C Pt2 N3B C2B 105.7(5) . . . . ?
N4A Pt2 N3B C2B -79.8(5) . . . . ?
N3D Pt2 N3B C2B -167.2(23) . . . . ?
Pt1 Pt2 N3B C2B -167.4(5) . . . . ?
C2B N3B C4B N4B 174.3(7) . . . . ?
Pt2 N3B C4B N4B -2.7(9) . . . . ?
C2B N3B C4B C5B -5.1(11) . . . . ?
Pt2 N3B C4B C5B 178.0(5) . . . . ?
N3B C4B N4B Pt1 -9.9(10) . . . . ?
C5B C4B N4B Pt1 169.4(5) . . . . ?
N4D Pt1 N4B C4B 17.7(24) . . . . ?
N20 Pt1 N4B C4B -165.6(7) . . . . ?
N3A Pt1 N4B C4B -73.0(6) . . . . ?
N3C Pt1 N4B C4B 100.3(6) . . . . ?
Pt2 Pt1 N4B C4B 13.6(6) . . . . ?
N4B C4B C5B C6B -175.5(8) . . . . ?
N3B C4B C5B C6B 3.9(11) . . . . ?
C4B C5B C6B N1B -1.2(12) . . . . ?
C2B N1B C6B C5B -0.6(12) . . . . ?
C1B N1B C6B C5B 177.7(9) . . . . ?
C6C N1C C2C O2C 175.5(10) . . . . ?
C1C N1C C2C O2C -2.3(15) . . . . ?
C6C N1C C2C N3C -5.1(13) . . . . ?
C1C N1C C2C N3C 177.2(9) . . . . ?
O2C C2C N3C C4C -169.2(9) . . . . ?
N1C C2C N3C C4C 11.4(13) . . . . ?
O2C C2C N3C Pt1 7.6(13) . . . . ?
N1C C2C N3C Pt1 -171.8(6) . . . . ?
N4B Pt1 N3C C4C -73.0(6) . . . . ?
N4D Pt1 N3C C4C 100.4(6) . . . . ?
N20 Pt1 N3C C4C -165.9(6) . . . . ?
N3A Pt1 N3C C4C 12.9(24) . . . . ?
Pt2 Pt1 N3C C4C 13.9(5) . . . . ?
N4B Pt1 N3C C2C 110.1(6) . . . . ?
N4D Pt1 N3C C2C -76.5(6) . . . . ?
N20 Pt1 N3C C2C 17.2(7) . . . . ?
N3A Pt1 N3C C2C -164.0(19) . . . . ?
Pt2 Pt1 N3C C2C -163.0(6) . . . . ?
C2C N3C C4C N4C 169.1(8) . . . . ?
Pt1 N3C C4C N4C -7.7(10) . . . . ?
C2C N3C C4C C5C -11.6(11) . . . . ?
Pt1 N3C C4C C5C 171.6(6) . . . . ?
N3C C4C N4C Pt2 -7.3(11) . . . . ?
C5C C4C N4C Pt2 173.4(6) . . . . ?
N4A Pt2 N4C C4C 9.0(31) . . . . ?
N3B Pt2 N4C C4C 101.2(7) . . . . ?
N3D Pt2 N4C C4C -73.3(7) . . . . ?
Pt1 Pt2 N4C C4C 14.3(6) . . . . ?
N4C C4C C5C C6C -175.0(8) . . . . ?
N3C C4C C5C C6C 5.7(12) . . . . ?
C4C C5C C6C N1C 0.3(14) . . . . ?
C2C N1C C6C C5C -0.5(14) . . . . ?
C1C N1C C6C C5C 177.2(10) . . . . ?
C6D N1D C2D O2D -179.2(8) . . . . ?
C1D N1D C2D O2D 2.5(12) . . . . ?
C6D N1D C2D N3D 1.1(11) . . . . ?
C1D N1D C2D N3D -177.3(7) . . . . ?
O2D C2D N3D C4D 180.0(7) . . . . ?
N1D C2D N3D C4D -0.3(11) . . . . ?
O2D C2D N3D Pt2 1.3(10) . . . . ?
N1D C2D N3D Pt2 -179.0(5) . . . . ?
N4C Pt2 N3D C4D 95.6(6) . . . . ?
N4A Pt2 N3D C4D -79.0(6) . . . . ?
N3B Pt2 N3D C4D 8.5(28) . . . . ?
Pt1 Pt2 N3D C4D 8.8(5) . . . . ?
N4C Pt2 N3D C2D -85.6(6) . . . . ?
N4A Pt2 N3D C2D 99.8(6) . . . . ?
N3B Pt2 N3D C2D -172.7(22) . . . . ?
Pt1 Pt2 N3D C2D -172.5(5) . . . . ?
C2D N3D C4D N4D -179.9(7) . . . . ?
Pt2 N3D C4D N4D -1.2(10) . . . . ?
C2D N3D C4D C5D -1.5(11) . . . . ?
Pt2 N3D C4D C5D 177.1(5) . . . . ?
N3D C4D N4D Pt1 -10.8(10) . . . . ?
C5D C4D N4D Pt1 171.0(6) . . . . ?
N4B Pt1 N4D C4D 9.6(24) . . . . ?
N20 Pt1 N4D C4D -167.0(7) . . . . ?
N3A Pt1 N4D C4D 100.2(6) . . . . ?
N3C Pt1 N4D C4D -73.2(6) . . . . ?
Pt2 Pt1 N4D C4D 13.7(6) . . . . ?
N4D C4D C5D C6D -179.2(8) . . . . ?
N3D C4D C5D C6D 2.6(12) . . . . ?
C4D C5D C6D N1D -1.9(13) . . . . ?
C2D N1D C6D C5D 0.0(13) . . . . ?
C1D N1D C6D C5D 178.3(8) . . . . ?
N4B Pt1 N20 O22 153.3(9) . . . . ?
N4D Pt1 N20 O22 -27.1(10) . . . . ?
N3A Pt1 N20 O22 65.0(9) . . . . ?
N3C Pt1 N20 O22 -115.2(9) . . . . ?
Pt2 Pt1 N20 O22 79.0(229) . . . . ?
N4B Pt1 N20 O21 -26.3(9) . . . . ?
N4D Pt1 N20 O21 153.3(9) . . . . ?
N3A Pt1 N20 O21 -114.7(9) . . . . ?
N3C Pt1 N20 O21 65.2(9) . . . . ?
Pt2 Pt1 N20 O21 -100.6(225) . . . . ?
