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#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/09/2000982.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000982
loop_
_publ_author_name
'Khodadad, P.'
'Rodier, N.'
_publ_section_title
;
 Bis(méthanesulfonate) de
 tétraammine-trans-dibromoplatine(IV) monohydrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              743
_journal_page_last               745
_journal_paper_doi               10.1107/S0108270191011393
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C2 H6 O6 S2,H12 Br2 N4 Pt1,H2 O1'
_chemical_formula_sum            'C2 H20 Br2 N4 O7 Pt S2'
_chemical_formula_weight         631.2
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.45(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.757(3)
_cell_length_b                   6.1899(6)
_cell_length_c                   15.637(5)
_cell_volume                     1551.9(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    14.5
_exptl_crystal_density_diffrn    2.701
_exptl_crystal_F_000             1184
_cod_data_source_file            du0315.cif
_cod_data_source_block           du0315a
_cod_original_cell_volume        1552.0(10)
_cod_original_formula_sum        'C2 H20 Br2 N4 O7 Pt1 S2'
_cod_database_code               2000982
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Pt(1) .0 .0 .0 0
Br(1) .09928(4) .29940(10) .05708(5) 0
N(1) .0716(3) -.1360(10) -.0609(4) 3
N(2) .0684(3) -.1550(10) .1273(4) 3
Pt(2) .0 .0 .5 0
Br(2) .08613(4) -.29650(10) .48551(5) 0
N(3) -.0044(3) .1270(10) .3754(4) 3
N(4) .1076(3) .1680(10) .5773(4) 3
S(1) .59680(10) .1140(3) .29820(10) 0
O(1) .5315(3) .0160(10) .3169(4) 0
O(2) .6022(3) .0281(9) .2137(3) 0
O(3) .5907(3) .3516(9) .2952(4) 0
C(1) .6934(4) .046(2) .3960(6) 3
S(2) .19752(9) .2570(3) .36770(10) 0
O(4) .1428(4) .1060(10) .3009(5) 0
O(5) .1770(3) .2790(10) .4473(4) 0
O(6) .2856(3) .2090(10) .3987(4) 0
C(2) .1807(5) .5130(10) .3134(6) 3
O(7) .7214(3) .5620(10) .2604(4) 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pt(1) Br(1) 2.4468(8)
Pt(1) N(1) 2.065(7)
Pt(1) N(2) 2.068(5)
Pt(2) Br(2) 2.4607(8)
Pt(2) N(3) 2.071(7)
Pt(2) N(4) 2.052(5)
S(1) O(1) 1.445(6)
S(1) O(2) 1.465(6)
S(1) O(3) 1.474(6)
S(1) C(1) 1.791(6)
S(2) O(4) 1.426(7)
S(2) O(5) 1.446(7)
S(2) O(6) 1.456(5)
S(2) C(2) 1.758(9)
