#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:49:54 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179209 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/40/4314083.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_4314083
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     '[(NH3)Pt(1-MeC)4Pt(NH3)](ClO4)2 * 2H2O'
_chemical_formula_sum            'C20 H34 Cl2 N14 O14 Pt2'
_chemical_formula_weight         1155.69
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.29(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.753(3)
_cell_length_b                   20.758(4)
_cell_length_c                   13.302(3)
_cell_measurement_reflns_used    13731
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.06
_cell_measurement_theta_min      2.95
_cell_volume                     3521.4(13)
_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
;
360 frames via ω-rotation (Δω\=1°) and two times 60s 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  0.0405
_diffrn_reflns_av_sigmaI/netI    0.0750
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13731
_diffrn_reflns_theta_max         27.06
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    8.171
_exptl_absorpt_correction_T_max  0.1930
_exptl_absorpt_correction_T_min  0.1345
_exptl_absorpt_correction_type   SCALEPACK
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    2.180
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2216
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.011
_refine_diff_density_min         -2.850
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.900
_refine_ls_goodness_of_fit_obs   1.082
_refine_ls_hydrogen_treatment    'refU, except ammine protons U=1.3xU(bonded)'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         6975
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.188
_refine_ls_restrained_S_obs      1.082
_refine_ls_R_factor_all          0.0917
_refine_ls_R_factor_obs          0.0425
_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)+(0.0539P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1337
_refine_ls_wR_factor_obs         0.0896
_reflns_number_observed          3973
_reflns_number_total             6985
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic0343152_s_2.cif
_cod_data_source_block           2a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0539P)^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^)+(0.0539P)^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_database_code               4314083
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.46283(3) 0.721556(14) 0.32032(2) 0.04270(12) Uani 1 d . .
Pt2 Pt 0.45704(3) 0.602857(14) 0.32153(2) 0.04225(11) Uani 1 d . .
N1 N 0.4715(6) 0.8262(3) 0.3198(5) 0.058(2) Uani 1 d . .
H1A H 0.4410(38) 0.8416(3) 0.3748(21) 0.075 Uiso 1 calc R .
H1B H 0.4387(37) 0.8414(3) 0.2655(22) 0.075 Uiso 1 calc R .
H1C H 0.5384(6) 0.8384(3) 0.3187(41) 0.075 Uiso 1 calc R .
N2 N 0.4558(6) 0.4978(3) 0.3224(5) 0.053(2) Uani 1 d . .
H2A H 0.3902(6) 0.4838(3) 0.3283(37) 0.070 Uiso 1 calc R .
H2B H 0.4939(32) 0.4835(3) 0.3740(22) 0.070 Uiso 1 calc R .
H2C H 0.4828(36) 0.4832(3) 0.2652(17) 0.070 Uiso 1 calc R .
N1A N 0.5587(6) 0.7579(4) 0.6256(5) 0.057(2) Uani 1 d . .
C1A C 0.5451(9) 0.8093(6) 0.6991(7) 0.080(3) Uani 1 d . .
H1A1 H 0.5777(42) 0.7971(14) 0.7614(16) 0.090(10) Uiso 1 calc R .
H1A2 H 0.4716(9) 0.8166(21) 0.7097(35) 0.090(10) Uiso 1 calc R .
H1A3 H 0.5770(43) 0.8481(10) 0.6745(22) 0.090(10) Uiso 1 calc R .
C2A C 0.5073(8) 0.7640(4) 0.5352(6) 0.051(2) Uani 1 d . .
O2A O 0.4519(6) 0.8100(3) 0.5180(5) 0.069(2) Uani 1 d . .
N3A N 0.5231(6) 0.7147(3) 0.4645(5) 0.047(2) Uani 1 d . .
C4A C 0.5717(7) 0.6582(4) 0.4915(6) 0.048(2) Uani 1 d . .
N4A N 0.5638(6) 0.6076(3) 0.4324(5) 0.049(2) Uani 1 d . .
H4A H 0.6057(6) 0.5757(3) 0.4416(5) 0.063(15) Uiso 1 calc R .
C5A C 0.6290(7) 0.6562(5) 0.5839(7) 0.058(2) Uani 1 d . .
H5A H 0.6719(7) 0.6214(5) 0.5997(7) 0.050(9) Uiso 1 calc R .
C6A C 0.6193(8) 0.7052(5) 0.6461(7) 0.063(3) Uani 1 d . .
H6A H 0.6555(8) 0.7038(5) 0.7069(7) 0.050(9) Uiso 1 calc R .
N1B N 0.2154(6) 0.5673(4) 0.5368(5) 0.058(2) Uani 1 d . .
C1B C 0.1859(9) 0.5130(5) 0.6012(8) 0.087(4) Uani 1 d . .
H1B1 H 0.2379(25) 0.5074(18) 0.6529(27) 0.090(10) Uiso 1 calc R .
H1B2 H 0.1814(45) 0.4744(7) 0.5615(11) 0.090(10) Uiso 1 calc R .
H1B3 H 0.1191(23) 0.5215(13) 0.6314(36) 0.090(10) Uiso 1 calc R .
C2B C 0.3103(7) 0.5630(4) 0.4895(6) 0.049(2) Uani 1 d . .
O2B O 0.3696(5) 0.5174(3) 0.5038(4) 0.063(2) Uani 1 d . .
N3B N 0.3362(5) 0.6121(3) 0.4234(5) 0.047(2) Uani 1 d . .
C4B C 0.2799(7) 0.6683(4) 0.4219(6) 0.045(2) Uani 1 d . .
N4B N 0.3181(6) 0.7192(3) 0.3760(4) 0.045(2) Uani 1 d . .
H4B H 0.2791(6) 0.7528(3) 0.3697(4) 0.063(15) Uiso 1 calc R .
C5B C 0.1810(7) 0.6694(5) 0.4739(6) 0.056(2) Uani 1 d . .
H5B H 0.1376(7) 0.7053(5) 0.4686(6) 0.050(9) Uiso 1 calc R .
C6B C 0.1515(7) 0.6194(4) 0.5294(6) 0.054(2) Uani 1 d . .
H6B H 0.0877(7) 0.6201(4) 0.5628(6) 0.050(9) Uiso 1 calc R .
N1C N 0.3514(6) 0.7603(4) 0.0217(5) 0.053(2) Uani 1 d . .
C1C C 0.3592(9) 0.8157(5) -0.0484(7) 0.074(3) Uani 1 d . .
H1C1 H 0.4282(17) 0.8169(17) -0.0770(34) 0.090(10) Uiso 1 calc R .
H1C2 H 0.3464(46) 0.8550(5) -0.0125(11) 0.090(10) Uiso 1 calc R .
H1C3 H 0.3082(32) 0.8110(15) -0.1012(25) 0.090(10) Uiso 1 calc R .
C2C C 0.4124(7) 0.7632(5) 0.1079(6) 0.052(2) Uani 1 d . .
O2C O 0.4736(6) 0.8069(3) 0.1188(4) 0.067(2) Uani 1 d . .
N3C N 0.4002(6) 0.7145(3) 0.1777(5) 0.043(2) Uani 1 d . .
C4C C 0.3436(7) 0.6605(4) 0.1535(6) 0.046(2) Uani 1 d . .
N4C N 0.3508(6) 0.6092(3) 0.2110(5) 0.048(2) Uani 1 d . .
H4C H 0.3087(6) 0.5775(3) 0.2007(5) 0.063(15) Uiso 1 calc R .
C5C C 0.2769(7) 0.6606(5) 0.0667(6) 0.055(2) Uani 1 d . .
H5C H 0.2311(7) 0.6267(5) 0.0541(6) 0.050(9) Uiso 1 calc R .
C6C C 0.2824(8) 0.7110(5) 0.0042(7) 0.059(3) Uani 1 d . .
H6C H 0.2386(8) 0.7126(5) -0.0519(7) 0.050(9) Uiso 1 calc R .
N1D N 0.6878(7) 0.5558(4) 0.1004(6) 0.066(2) Uani 1 d . .
C1D C 0.7064(10) 0.5004(5) 0.0305(8) 0.091(4) Uani 1 d . .
H1D1 H 0.6454(19) 0.4939(18) -0.0107(30) 0.090(10) Uiso 1 calc R .
H1D2 H 0.7202(46) 0.4622(8) 0.0690(8) 0.090(10) Uiso 1 calc R .
H1D3 H 0.7656(29) 0.5097(13) -0.0114(31) 0.090(10) Uiso 1 calc R .
C2D C 0.5937(8) 0.5572(4) 0.1500(6) 0.053(2) Uani 1 d . .
O2D O 0.5269(5) 0.5149(3) 0.1346(4) 0.063(2) Uani 1 d . .
N3D N 0.5762(6) 0.6063(3) 0.2173(5) 0.049(2) Uani 1 d . .
C4D C 0.6365(7) 0.6600(4) 0.2149(6) 0.049(2) Uani 1 d . .
N4D N 0.6063(5) 0.7116(3) 0.2642(5) 0.045(2) Uani 1 d . .
H4D H 0.6505(5) 0.7425(3) 0.2725(5) 0.063(15) Uiso 1 calc R .
C5D C 0.7327(7) 0.6606(5) 0.1576(6) 0.058(2) Uani 1 d . .
H5D H 0.7771(7) 0.6962(5) 0.1560(6) 0.050(9) Uiso 1 calc R .
C6D C 0.7533(8) 0.6054(5) 0.1065(7) 0.071(3) Uani 1 d . .
H6D H 0.8173(8) 0.6021(5) 0.0737(7) 0.050(9) Uiso 1 calc R .
Cl1 Cl 0.8382(2) 0.84385(13) 0.2391(2) 0.0672(7) Uani 1 d . .
O11 O 0.7302(6) 0.8370(4) 0.2647(6) 0.096(2) Uani 1 d . .
O12 O 0.9007(7) 0.8079(4) 0.3080(5) 0.104(3) Uani 1 d . .
O13 O 0.8591(8) 0.8234(5) 0.1394(6) 0.140(4) Uani 1 d . .
O14 O 0.8638(8) 0.9096(4) 0.2465(7) 0.125(3) Uani 1 d . .
Cl2 Cl 0.6332(3) 0.0129(2) 0.7681(3) 0.1085(11) Uani 1 d . .
O21 O 0.6212(13) -0.0517(9) 0.8115(12) 0.231(7) Uiso 1 d . .
O22 O 0.7128(33) 0.0432(18) 0.8302(29) 0.245(15) Uiso 0.50 d P .
O23 O 0.7376(17) 0.0252(10) 0.7336(16) 0.131(7) Uiso 0.50 d P .
O24 O 0.6069(29) 0.0582(16) 0.8417(24) 0.212(12) Uiso 0.50 d P .
O25 O 0.6689(24) -0.0115(14) 0.6748(21) 0.187(10) Uiso 0.50 d P .
O26 O 0.5496(22) 0.0219(15) 0.6881(22) 0.184(11) Uiso 0.50 d P .
O27 O 0.5361(16) 0.0387(10) 0.7655(17) 0.120(6) Uiso 0.50 d P .
O1W O 0.9760(7) 0.1167(4) 0.5558(6) 0.100(3) Uani 1 d . .
O2W O 0.7844(7) 0.1489(4) 0.6361(6) 0.095(3) Uani 1 d . .
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'
Pt Pt -1.7033 8.3905 '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'
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
N4D Pt1 N4B 172.7(3) . . ?
N4D Pt1 N3C 90.0(3) . . ?
N4B Pt1 N3C 89.1(3) . . ?
N4D Pt1 N3A 90.2(3) . . ?
N4B Pt1 N3A 89.7(3) . . ?
N3C Pt1 N3A 171.9(2) . . ?
N4D Pt1 N1 93.2(3) . . ?
N4B Pt1 N1 94.2(3) . . ?
N3C Pt1 N1 95.0(3) . . ?
N3A Pt1 N1 93.1(3) . . ?
N4D Pt1 Pt2 85.8(2) . . ?
N4B Pt1 Pt2 86.9(2) . . ?
N3C Pt1 Pt2 85.6(2) . . ?
N3A Pt1 Pt2 86.3(2) . . ?
N1 Pt1 Pt2 178.8(2) . . ?
N4C Pt2 N4A 173.4(3) . . ?
N4C Pt2 N3D 90.1(3) . . ?
N4A Pt2 N3D 89.6(3) . . ?
N4C Pt2 N3B 88.4(3) . . ?
N4A Pt2 N3B 91.1(3) . . ?
N3D Pt2 N3B 172.6(2) . . ?
N4C Pt2 N2 93.7(3) . . ?
N4A Pt2 N2 92.9(3) . . ?
N3D Pt2 N2 92.5(2) . . ?
N3B Pt2 N2 94.8(2) . . ?
N4C Pt2 Pt1 87.1(2) . . ?
N4A Pt2 Pt1 86.3(2) . . ?
N3D Pt2 Pt1 86.5(2) . . ?
N3B Pt2 Pt1 86.2(2) . . ?
N2 Pt2 Pt1 178.7(2) . . ?
Pt1 N1 H1A 109.5(2) . . ?
Pt1 N1 H1B 109.5(2) . . ?
H1A N1 H1B 109.5 . . ?
Pt1 N1 H1C 109.5(2) . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
Pt2 N2 H2A 109.5(2) . . ?
Pt2 N2 H2B 109.5(2) . . ?
H2A N2 H2B 109.5 . . ?
Pt2 N2 H2C 109.5(2) . . ?
H2A N2 H2C 109.5 . . ?
H2B N2 H2C 109.5 . . ?
C6A N1A C2A 121.0(8) . . ?
C6A N1A C1A 121.4(8) . . ?
C2A N1A C1A 117.5(8) . . ?
N1A C1A H1A1 109.5(6) . . ?
N1A C1A H1A2 109.5(5) . . ?
H1A1 C1A H1A2 109.5 . . ?
N1A C1A H1A3 109.5(5) . . ?
H1A1 C1A H1A3 109.5 . . ?
H1A2 C1A H1A3 109.5 . . ?
O2A C2A N1A 121.0(8) . . ?
O2A C2A N3A 122.3(8) . . ?
N1A C2A N3A 116.7(8) . . ?
C4A N3A C2A 120.9(7) . . ?
C4A N3A Pt1 117.8(5) . . ?
C2A N3A Pt1 121.1(6) . . ?
N4A C4A N3A 119.5(8) . . ?
N4A C4A C5A 121.9(8) . . ?
N3A C4A C5A 118.6(8) . . ?
C4A N4A Pt2 121.9(6) . . ?
C4A N4A H4A 119.0(5) . . ?
Pt2 N4A H4A 119.0(2) . . ?
C6A C5A C4A 117.9(10) . . ?
C6A C5A H5A 121.0(6) . . ?
C4A C5A H5A 121.0(6) . . ?
C5A C6A N1A 123.3(9) . . ?
C5A C6A H6A 118.4(6) . . ?
N1A C6A H6A 118.4(5) . . ?
C6B N1B C2B 123.3(8) . . ?
C6B N1B C1B 120.0(8) . . ?
C2B N1B C1B 116.6(8) . . ?
N1B C1B H1B1 109.5(6) . . ?
N1B C1B H1B2 109.5(6) . . ?
H1B1 C1B H1B2 109.5 . . ?
N1B C1B H1B3 109.5(5) . . ?
H1B1 C1B H1B3 109.5 . . ?
H1B2 C1B H1B3 109.5 . . ?
O2B C2B N1B 121.6(8) . . ?
O2B C2B N3B 121.2(8) . . ?
N1B C2B N3B 117.2(8) . . ?
C4B N3B C2B 120.5(7) . . ?
C4B N3B Pt2 117.6(5) . . ?
C2B N3B Pt2 121.9(5) . . ?
N4B C4B N3B 119.7(7) . . ?
N4B C4B C5B 122.5(8) . . ?
N3B C4B C5B 117.8(8) . . ?
C4B N4B Pt1 122.5(6) . . ?
C4B N4B H4B 118.7(5) . . ?
Pt1 N4B H4B 118.7(2) . . ?
C6B C5B C4B 120.3(9) . . ?
C6B C5B H5B 119.9(5) . . ?
C4B C5B H5B 119.9(5) . . ?
C5B C6B N1B 119.5(9) . . ?
C5B C6B H6B 120.3(6) . . ?
N1B C6B H6B 120.3(5) . . ?
C6C N1C C2C 122.2(8) . . ?
C6C N1C C1C 121.1(8) . . ?
C2C N1C C1C 116.6(8) . . ?
N1C C1C H1C1 109.5(5) . . ?
N1C C1C H1C2 109.5(5) . . ?
H1C1 C1C H1C2 109.5 . . ?
N1C C1C H1C3 109.5(5) . . ?
H1C1 C1C H1C3 109.5 . . ?
H1C2 C1C H1C3 109.5 . . ?
O2C C2C N3C 123.0(8) . . ?
O2C C2C N1C 119.6(8) . . ?
N3C C2C N1C 117.4(8) . . ?
C4C N3C C2C 120.1(7) . . ?
C4C N3C Pt1 118.4(5) . . ?
C2C N3C Pt1 121.5(6) . . ?
N4C C4C N3C 119.4(8) . . ?
N4C C4C C5C 120.8(9) . . ?
N3C C4C C5C 119.8(8) . . ?
C4C N4C Pt2 121.8(6) . . ?
C4C N4C H4C 119.1(5) . . ?
Pt2 N4C H4C 119.1(2) . . ?
C6C C5C C4C 118.1(9) . . ?
C6C C5C H5C 120.9(6) . . ?
C4C C5C H5C 120.9(5) . . ?
C5C C6C N1C 120.9(9) . . ?
C5C C6C H6C 119.6(6) . . ?
N1C C6C H6C 119.6(5) . . ?
C6D N1D C2D 120.4(8) . . ?
C6D N1D C1D 122.1(8) . . ?
C2D N1D C1D 117.1(8) . . ?
N1D C1D H1D1 109.5(6) . . ?
N1D C1D H1D2 109.5(6) . . ?
H1D1 C1D H1D2 109.5 . . ?
N1D C1D H1D3 109.5(5) . . ?
H1D1 C1D H1D3 109.5 . . ?
H1D2 C1D H1D3 109.5 . . ?
O2D C2D N1D 120.5(8) . . ?
O2D C2D N3D 121.3(8) . . ?
N1D C2D N3D 118.2(9) . . ?
C4D N3D C2D 120.0(7) . . ?
C4D N3D Pt2 117.7(5) . . ?
C2D N3D Pt2 122.3(6) . . ?
N4D C4D N3D 119.4(8) . . ?
N4D C4D C5D 120.4(8) . . ?
N3D C4D C5D 120.2(8) . . ?
C4D N4D Pt1 122.9(6) . . ?
C4D N4D H4D 118.5(5) . . ?
Pt1 N4D H4D 118.5(2) . . ?
C6D C5D C4D 114.9(9) . . ?
C6D C5D H5D 122.5(6) . . ?
C4D C5D H5D 122.5(5) . . ?
N1D C6D C5D 124.2(9) . . ?
N1D C6D H6D 117.9(5) . . ?
C5D C6D H6D 117.9(6) . . ?
O14 Cl1 O13 108.1(6) . . ?
O14 Cl1 O12 109.6(6) . . ?
O13 Cl1 O12 109.7(5) . . ?
O14 Cl1 O11 107.7(6) . . ?
O13 Cl1 O11 112.2(6) . . ?
O12 Cl1 O11 109.4(5) . . ?
O27 Cl2 O24 61.8(14) . . ?
O27 Cl2 O25 114.7(15) . . ?
O24 Cl2 O25 158.6(18) . . ?
O27 Cl2 O23 140.8(12) . . ?
O24 Cl2 O23 109.3(17) . . ?
O25 Cl2 O23 58.7(12) . . ?
O27 Cl2 O22 118.8(18) . . ?
O24 Cl2 O22 58.6(17) . . ?
O25 Cl2 O22 115.3(19) . . ?
O23 Cl2 O22 57.0(15) . . ?
O27 Cl2 O21 106.0(11) . . ?
O24 Cl2 O21 108.3(14) . . ?
O25 Cl2 O21 93.1(13) . . ?
O23 Cl2 O21 112.8(11) . . ?
O22 Cl2 O21 104.3(15) . . ?
O27 Cl2 O26 44.8(11) . . ?
O24 Cl2 O26 103.8(18) . . ?
O25 Cl2 O26 69.9(14) . . ?
O23 Cl2 O26 113.8(14) . . ?
O22 Cl2 O26 146.6(18) . . ?
O21 Cl2 O26 108.4(13) . . ?
O23 O22 O24 113.0(34) . . ?
O23 O22 Cl2 60.9(19) . . ?
O24 O22 Cl2 58.9(22) . . ?
O22 O23 O25 121.6(27) . . ?
O22 O23 Cl2 62.0(20) . . ?
O25 O23 Cl2 60.1(15) . . ?
O22 O24 Cl2 62.5(23) . . ?
O22 O24 O27 118.2(32) . . ?
Cl2 O24 O27 57.3(16) . . ?
O23 O25 Cl2 61.3(15) . . ?
O23 O25 O26 106.4(23) . . ?
Cl2 O25 O26 57.8(14) . . ?
O27 O26 Cl2 59.7(18) . . ?
O27 O26 O25 112.0(26) . . ?
Cl2 O26 O25 52.4(13) . . ?
O26 O27 Cl2 75.5(21) . . ?
O26 O27 O24 131.2(29) . . ?
Cl2 O27 O24 60.8(17) . . ?
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 N4D 1.990(7) . ?
Pt1 N4B 1.993(7) . ?
Pt1 N3C 2.060(6) . ?
Pt1 N3A 2.068(6) . ?
Pt1 N1 2.175(7) . ?
Pt1 Pt2 2.4651(6) . ?
Pt2 N4C 1.999(7) . ?
Pt2 N4A 2.005(7) . ?
Pt2 N3D 2.063(7) . ?
Pt2 N3B 2.066(6) . ?
Pt2 N2 2.181(6) . ?
N1 H1A 0.89 . ?
N1 H1B 0.89 . ?
N1 H1C 0.89 . ?
N2 H2A 0.89 . ?
N2 H2B 0.89 . ?
N2 H2C 0.89 . ?
N1A C6A 1.367(12) . ?
N1A C2A 1.372(11) . ?
N1A C1A 1.458(11) . ?
C1A H1A1 0.96 . ?
C1A H1A2 0.96 . ?
C1A H1A3 0.96 . ?
C2A O2A 1.208(10) . ?
C2A N3A 1.406(10) . ?
N3A C4A 1.373(10) . ?
C4A N4A 1.314(10) . ?
C4A C5A 1.427(12) . ?
N4A H4A 0.86 . ?
C5A C6A 1.317(12) . ?
C5A H5A 0.93 . ?
C6A H6A 0.93 . ?
N1B C6B 1.357(11) . ?
N1B C2B 1.370(10) . ?
N1B C1B 1.467(11) . ?
C1B H1B1 0.96 . ?
C1B H1B2 0.96 . ?
C1B H1B3 0.96 . ?
C2B O2B 1.226(9) . ?
C2B N3B 1.387(10) . ?
N3B C4B 1.370(9) . ?
C4B N4B 1.316(10) . ?
C4B C5B 1.441(11) . ?
N4B H4B 0.86 . ?
C5B C6B 1.329(12) . ?
C5B H5B 0.93 . ?
C6B H6B 0.93 . ?
N1C C6C 1.369(12) . ?
N1C C2C 1.384(10) . ?
N1C C1C 1.485(10) . ?
C1C H1C1 0.96 . ?
C1C H1C2 0.96 . ?
C1C H1C3 0.96 . ?
C2C O2C 1.205(10) . ?
C2C N3C 1.382(10) . ?
N3C C4C 1.371(10) . ?
C4C N4C 1.312(10) . ?
C4C C5C 1.431(11) . ?
N4C H4C 0.86 . ?
C5C C6C 1.339(12) . ?
C5C H5C 0.93 . ?
C6C H6C 0.93 . ?
N1D C6D 1.327(12) . ?
N1D C2D 1.373(11) . ?
N1D C1D 1.498(11) . ?
C1D H1D1 0.96 . ?
C1D H1D2 0.96 . ?
C1D H1D3 0.96 . ?
C2D O2D 1.240(10) . ?
C2D N3D 1.376(10) . ?
N3D C4D 1.354(10) . ?
C4D N4D 1.316(10) . ?
C4D C5D 1.448(12) . ?
N4D H4D 0.86 . ?
C5D C6D 1.360(13) . ?
C5D H5D 0.93 . ?
C6D H6D 0.93 . ?
Cl1 O14 1.406(8) . ?
Cl1 O13 1.420(8) . ?
Cl1 O12 1.423(8) . ?
Cl1 O11 1.428(8) . ?
Cl2 O27 1.35(2) . ?
Cl2 O24 1.40(3) . ?
Cl2 O25 1.42(3) . ?
Cl2 O23 1.43(2) . ?
Cl2 O22 1.45(4) . ?
Cl2 O21 1.47(2) . ?
Cl2 O26 1.51(3) . ?
O22 O23 1.38(4) . ?
O22 O24 1.40(4) . ?
O23 O25 1.40(3) . ?
O24 O27 1.41(3) . ?
O25 O26 1.68(3) . ?
O26 O27 1.10(3) . ?
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
N4D Pt1 Pt2 N4C -110.4(3) . . . . ?
N4B Pt1 Pt2 N4C 69.2(3) . . . . ?
N3C Pt1 Pt2 N4C -20.1(3) . . . . ?
N3A Pt1 Pt2 N4C 159.1(3) . . . . ?
N1 Pt1 Pt2 N4C -141.0(83) . . . . ?
N4D Pt1 Pt2 N4A 69.7(3) . . . . ?
N4B Pt1 Pt2 N4A -110.7(3) . . . . ?
N3C Pt1 Pt2 N4A 160.0(3) . . . . ?
N3A Pt1 Pt2 N4A -20.8(3) . . . . ?
N1 Pt1 Pt2 N4A 39.1(83) . . . . ?
N4D Pt1 Pt2 N3D -20.2(3) . . . . ?
N4B Pt1 Pt2 N3D 159.5(3) . . . . ?
N3C Pt1 Pt2 N3D 70.2(3) . . . . ?
N3A Pt1 Pt2 N3D -110.6(3) . . . . ?
N1 Pt1 Pt2 N3D -50.7(83) . . . . ?
N4D Pt1 Pt2 N3B 161.0(3) . . . . ?
N4B Pt1 Pt2 N3B -19.3(3) . . . . ?
N3C Pt1 Pt2 N3B -108.6(3) . . . . ?
N3A Pt1 Pt2 N3B 70.6(3) . . . . ?
N1 Pt1 Pt2 N3B 130.5(83) . . . . ?
N4D Pt1 Pt2 N2 19.2(76) . . . . ?
N4B Pt1 Pt2 N2 -161.2(76) . . . . ?
N3C Pt1 Pt2 N2 109.5(76) . . . . ?
N3A Pt1 Pt2 N2 -71.3(76) . . . . ?
N1 Pt1 Pt2 N2 -11.4(110) . . . . ?
C6A N1A C2A O2A 178.3(9) . . . . ?
C1A N1A C2A O2A -1.0(13) . . . . ?
C6A N1A C2A N3A -1.9(12) . . . . ?
C1A N1A C2A N3A 178.7(8) . . . . ?
O2A C2A N3A C4A -168.9(9) . . . . ?
N1A C2A N3A C4A 11.3(12) . . . . ?
O2A C2A N3A Pt1 5.8(12) . . . . ?
N1A C2A N3A Pt1 -174.0(6) . . . . ?
N4D Pt1 N3A C4A -62.7(6) . . . . ?
N4B Pt1 N3A C4A 110.0(6) . . . . ?
N3C Pt1 N3A C4A 28.6(23) . . . . ?
N1 Pt1 N3A C4A -155.8(6) . . . . ?
Pt2 Pt1 N3A C4A 23.1(6) . . . . ?
N4D Pt1 N3A C2A 122.5(7) . . . . ?
N4B Pt1 N3A C2A -64.9(7) . . . . ?
N3C Pt1 N3A C2A -146.3(17) . . . . ?
N1 Pt1 N3A C2A 29.3(7) . . . . ?
Pt2 Pt1 N3A C2A -151.8(6) . . . . ?
C2A N3A C4A N4A 164.0(8) . . . . ?
Pt1 N3A C4A N4A -10.8(11) . . . . ?
C2A N3A C4A C5A -15.5(12) . . . . ?
Pt1 N3A C4A C5A 169.6(6) . . . . ?
N3A C4A N4A Pt2 -14.7(11) . . . . ?
C5A C4A N4A Pt2 164.9(6) . . . . ?
N4C Pt2 N4A C4A 25.0(26) . . . . ?
N3D Pt2 N4A C4A 112.4(7) . . . . ?
N3B Pt2 N4A C4A -60.2(7) . . . . ?
N2 Pt2 N4A C4A -155.1(7) . . . . ?
Pt1 Pt2 N4A C4A 25.9(6) . . . . ?
N4A C4A C5A C6A -169.3(9) . . . . ?
N3A C4A C5A C6A 10.3(13) . . . . ?
C4A C5A C6A N1A -1.1(14) . . . . ?
C2A N1A C6A C5A -3.0(14) . . . . ?
C1A N1A C6A C5A 176.3(9) . . . . ?
C6B N1B C2B O2B 174.5(8) . . . . ?
C1B N1B C2B O2B -3.0(14) . . . . ?
C6B N1B C2B N3B -6.5(13) . . . . ?
C1B N1B C2B N3B 176.0(8) . . . . ?
O2B C2B N3B C4B -167.7(8) . . . . ?
N1B C2B N3B C4B 13.3(12) . . . . ?
O2B C2B N3B Pt2 14.0(12) . . . . ?
N1B C2B N3B Pt2 -165.0(6) . . . . ?
N4C Pt2 N3B C4B -62.7(6) . . . . ?
N4A Pt2 N3B C4B 110.7(6) . . . . ?
N3D Pt2 N3B C4B 15.5(25) . . . . ?
N2 Pt2 N3B C4B -156.3(6) . . . . ?
Pt1 Pt2 N3B C4B 24.5(6) . . . . ?
N4C Pt2 N3B C2B 115.7(7) . . . . ?
N4A Pt2 N3B C2B -70.9(7) . . . . ?
N3D Pt2 N3B C2B -166.1(20) . . . . ?
N2 Pt2 N3B C2B 22.1(7) . . . . ?
Pt1 Pt2 N3B C2B -157.1(7) . . . . ?
C2B N3B C4B N4B 165.1(8) . . . . ?
Pt2 N3B C4B N4B -16.6(10) . . . . ?
C2B N3B C4B C5B -13.4(12) . . . . ?
Pt2 N3B C4B C5B 165.0(6) . . . . ?
N3B C4B N4B Pt1 -6.9(11) . . . . ?
C5B C4B N4B Pt1 171.4(6) . . . . ?
N4D Pt1 N4B C4B 23.1(23) . . . . ?
N3C Pt1 N4B C4B 106.3(7) . . . . ?
N3A Pt1 N4B C4B -65.7(7) . . . . ?
N1 Pt1 N4B C4B -158.8(7) . . . . ?
Pt2 Pt1 N4B C4B 20.6(6) . . . . ?
N4B C4B C5B C6B -171.8(9) . . . . ?
N3B C4B C5B C6B 6.6(13) . . . . ?
C4B C5B C6B N1B 0.1(14) . . . . ?
C2B N1B C6B C5B 0.0(14) . . . . ?
C1B N1B C6B C5B 177.4(10) . . . . ?
C6C N1C C2C O2C 178.5(9) . . . . ?
C1C N1C C2C O2C -5.5(12) . . . . ?
C6C N1C C2C N3C -0.8(12) . . . . ?
C1C N1C C2C N3C 175.2(7) . . . . ?
O2C C2C N3C C4C -168.4(9) . . . . ?
N1C C2C N3C C4C 10.9(11) . . . . ?
O2C C2C N3C Pt1 13.0(12) . . . . ?
N1C C2C N3C Pt1 -167.8(5) . . . . ?
N4D Pt1 N3C C4C 110.7(6) . . . . ?
N4B Pt1 N3C C4C -62.0(6) . . . . ?
N3A Pt1 N3C C4C 19.4(23) . . . . ?
N1 Pt1 N3C C4C -156.1(6) . . . . ?
Pt2 Pt1 N3C C4C 24.9(6) . . . . ?
N4D Pt1 N3C C2C -70.6(6) . . . . ?
N4B Pt1 N3C C2C 116.7(6) . . . . ?
N3A Pt1 N3C C2C -161.9(17) . . . . ?
N1 Pt1 N3C C2C 22.6(7) . . . . ?
Pt2 Pt1 N3C C2C -156.4(6) . . . . ?
C2C N3C C4C N4C 165.6(8) . . . . ?
Pt1 N3C C4C N4C -15.7(10) . . . . ?
C2C N3C C4C C5C -14.9(11) . . . . ?
Pt1 N3C C4C C5C 163.8(6) . . . . ?
N3C C4C N4C Pt2 -8.9(10) . . . . ?
C5C C4C N4C Pt2 171.6(6) . . . . ?
N4A Pt2 N4C C4C 23.2(26) . . . . ?
N3D Pt2 N4C C4C -64.1(6) . . . . ?
N3B Pt2 N4C C4C 108.6(6) . . . . ?
N2 Pt2 N4C C4C -156.7(6) . . . . ?
Pt1 Pt2 N4C C4C 22.3(6) . . . . ?
N4C C4C C5C C6C -171.9(8) . . . . ?
N3C C4C C5C C6C 8.6(12) . . . . ?
C4C C5C C6C N1C 1.4(13) . . . . ?
C2C N1C C6C C5C -5.3(13) . . . . ?
C1C N1C C6C C5C 178.9(9) . . . . ?
C6D N1D C2D O2D 171.0(9) . . . . ?
C1D N1D C2D O2D -1.8(14) . . . . ?
C6D N1D C2D N3D -9.6(14) . . . . ?
C1D N1D C2D N3D 177.7(8) . . . . ?
O2D C2D N3D C4D -163.4(9) . . . . ?
N1D C2D N3D C4D 17.1(13) . . . . ?
O2D C2D N3D Pt2 14.9(12) . . . . ?
N1D C2D N3D Pt2 -164.6(6) . . . . ?
N4C Pt2 N3D C4D 110.5(7) . . . . ?
N4A Pt2 N3D C4D -62.9(7) . . . . ?
N3B Pt2 N3D C4D 32.4(26) . . . . ?
N2 Pt2 N3D C4D -155.7(7) . . . . ?
Pt1 Pt2 N3D C4D 23.4(6) . . . . ?
N4C Pt2 N3D C2D -67.8(7) . . . . ?
N4A Pt2 N3D C2D 118.8(7) . . . . ?
N3B Pt2 N3D C2D -145.9(20) . . . . ?
N2 Pt2 N3D C2D 26.0(7) . . . . ?
Pt1 Pt2 N3D C2D -154.9(7) . . . . ?
C2D N3D C4D N4D 165.9(8) . . . . ?
Pt2 N3D C4D N4D -12.5(11) . . . . ?
C2D N3D C4D C5D -13.4(13) . . . . ?
Pt2 N3D C4D C5D 168.3(7) . . . . ?
N3D C4D N4D Pt1 -12.5(11) . . . . ?
C5D C4D N4D Pt1 166.7(6) . . . . ?
N4B Pt1 N4D C4D 21.9(23) . . . . ?
N3C Pt1 N4D C4D -61.3(7) . . . . ?
N3A Pt1 N4D C4D 110.6(7) . . . . ?
N1 Pt1 N4D C4D -156.3(7) . . . . ?
Pt2 Pt1 N4D C4D 24.3(6) . . . . ?
N4D C4D C5D C6D -177.2(9) . . . . ?
N3D C4D C5D C6D 2.0(14) . . . . ?
C2D N1D C6D C5D -2.1(16) . . . . ?
C1D N1D C6D C5D 170.3(11) . . . . ?
C4D C5D C6D N1D 5.8(16) . . . . ?
O27 Cl2 O22 O23 -134.2(16) . . . . ?
O24 Cl2 O22 O23 -148.9(27) . . . . ?
O25 Cl2 O22 O23 7.7(25) . . . . ?
O23 Cl2 O22 O23 0.000(6) . . . . ?
O21 Cl2 O22 O23 108.1(16) . . . . ?
O26 Cl2 O22 O23 -83.8(36) . . . . ?
O27 Cl2 O22 O24 14.8(26) . . . . ?
O24 Cl2 O22 O24 0.000(10) . . . . ?
O25 Cl2 O22 O24 156.6(21) . . . . ?
O23 Cl2 O22 O24 148.9(27) . . . . ?
O21 Cl2 O22 O24 -102.9(19) . . . . ?
O26 Cl2 O22 O24 65.2(39) . . . . ?
O24 O22 O23 O25 -37.0(46) . . . . ?
Cl2 O22 O23 O25 -8.3(27) . . . . ?
O24 O22 O23 Cl2 -28.7(26) . . . . ?
Cl2 O22 O23 Cl2 0.000(6) . . . . ?
O27 Cl2 O23 O22 96.6(25) . . . . ?
O24 Cl2 O23 O22 27.8(24) . . . . ?
O25 Cl2 O23 O22 -171.8(26) . . . . ?
O22 Cl2 O23 O22 0.000(6) . . . . ?
O21 Cl2 O23 O22 -92.7(20) . . . . ?
O26 Cl2 O23 O22 143.3(22) . . . . ?
O27 Cl2 O23 O25 -91.6(24) . . . . ?
O24 Cl2 O23 O25 -160.3(20) . . . . ?
O25 Cl2 O23 O25 0.000(4) . . . . ?
O22 Cl2 O23 O25 171.8(26) . . . . ?
O21 Cl2 O23 O25 79.2(17) . . . . ?
O26 Cl2 O23 O25 -44.8(20) . . . . ?
O23 O22 O24 Cl2 29.3(26) . . . . ?
Cl2 O22 O24 Cl2 0.000(9) . . . . ?
O23 O22 O24 O27 15.3(48) . . . . ?
Cl2 O22 O24 O27 -14.0(25) . . . . ?
O27 Cl2 O24 O22 -165.3(26) . . . . ?
O25 Cl2 O24 O22 -79.2(55) . . . . ?
O23 Cl2 O24 O22 -27.3(23) . . . . ?
O22 Cl2 O24 O22 0.000(10) . . . . ?
O21 Cl2 O24 O22 95.9(20) . . . . ?
O26 Cl2 O24 O22 -149.1(21) . . . . ?
O27 Cl2 O24 O27 0.000(11) . . . . ?
O25 Cl2 O24 O27 86.1(53) . . . . ?
O23 Cl2 O24 O27 138.0(14) . . . . ?
O22 Cl2 O24 O27 165.3(26) . . . . ?
O21 Cl2 O24 O27 -98.8(15) . . . . ?
O26 Cl2 O24 O27 16.2(19) . . . . ?
O22 O23 O25 Cl2 8.5(27) . . . . ?
Cl2 O23 O25 Cl2 0.000(5) . . . . ?
O22 O23 O25 O26 45.7(35) . . . . ?
Cl2 O23 O25 O26 37.3(15) . . . . ?
O27 Cl2 O25 O23 135.9(15) . . . . ?
O24 Cl2 O25 O23 60.5(55) . . . . ?
O23 Cl2 O25 O23 0.000(5) . . . . ?
O22 Cl2 O25 O23 -7.6(24) . . . . ?
O21 Cl2 O25 O23 -114.9(14) . . . . ?
O26 Cl2 O25 O23 136.6(20) . . . . ?
O27 Cl2 O25 O26 -0.7(20) . . . . ?
O24 Cl2 O25 O26 -76.1(54) . . . . ?
O23 Cl2 O25 O26 -136.6(20) . . . . ?
O22 Cl2 O25 O26 -144.2(20) . . . . ?
O21 Cl2 O25 O26 108.4(15) . . . . ?
O26 Cl2 O25 O26 0.000(8) . . . . ?
O27 Cl2 O26 O27 0.000(13) . . . . ?
O24 Cl2 O26 O27 -20.5(25) . . . . ?
O25 Cl2 O26 O27 -179.1(26) . . . . ?
O23 Cl2 O26 O27 -139.2(18) . . . . ?
O22 Cl2 O26 O27 -73.4(39) . . . . ?
O21 Cl2 O26 O27 94.5(20) . . . . ?
O27 Cl2 O26 O25 179.1(26) . . . . ?
O24 Cl2 O26 O25 158.6(19) . . . . ?
O25 Cl2 O26 O25 0.000(8) . . . . ?
O23 Cl2 O26 O25 39.9(17) . . . . ?
O22 Cl2 O26 O25 105.7(35) . . . . ?
O21 Cl2 O26 O25 -86.5(15) . . . . ?
O23 O25 O26 O27 -38.0(36) . . . . ?
Cl2 O25 O26 O27 0.9(24) . . . . ?
O23 O25 O26 Cl2 -38.9(16) . . . . ?
Cl2 O25 O26 Cl2 0.000(11) . . . . ?
Cl2 O26 O27 Cl2 0.000(10) . . . . ?
O25 O26 O27 Cl2 -0.8(22) . . . . ?
Cl2 O26 O27 O24 26.6(32) . . . . ?
O25 O26 O27 O24 25.8(49) . . . . ?
O24 Cl2 O27 O26 157.3(28) . . . . ?
O25 Cl2 O27 O26 0.9(27) . . . . ?
O23 Cl2 O27 O26 71.0(29) . . . . ?
O22 Cl2 O27 O26 143.0(24) . . . . ?
O21 Cl2 O27 O26 -100.2(20) . . . . ?
O26 Cl2 O27 O26 0.000(11) . . . . ?
O24 Cl2 O27 O24 0.000(12) . . . . ?
O25 Cl2 O27 O24 -156.4(20) . . . . ?
O23 Cl2 O27 O24 -86.4(25) . . . . ?
O22 Cl2 O27 O24 -14.3(25) . . . . ?
O21 Cl2 O27 O24 102.5(17) . . . . ?
O26 Cl2 O27 O24 -157.3(28) . . . . ?
O22 O24 O27 O26 -15.0(56) . . . . ?
Cl2 O24 O27 O26 -29.7(36) . . . . ?
O22 O24 O27 Cl2 14.8(27) . . . . ?
Cl2 O24 O27 Cl2 0.000(11) . . . . ?
