#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/03/2000318.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_2000318
loop_
_publ_author_name
'Mac\'i\<cek, J.'
'Angelova, O.'
'Dodoff, N.'
_publ_section_title
;Structure of
 <i>cis</i>-dichloro[methylphosphinylidenebis(methylamine-<i>N</i>,<i>N</i>')]platinum(II)
 hemihydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              971
_journal_page_last               973
_journal_paper_doi               10.1107/S0108270190012689
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C3 H11 Cl2 N2 O P Pt'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                90
_cell_angle_beta                 117.150(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.696(3)
_cell_length_b                   7.175(4)
_cell_length_c                   17.1550(10)
_cell_volume                     1938.2(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    2.722
_exptl_crystal_F_000             1464
_cod_data_source_file            ab0164.cif
_cod_data_source_block           ab0164a
_cod_depositor_comments
;

  Changing the _symmetry_space_group_name_H-M value from 'I 2/c 1 1'
  to 'I 1 2/c 1'. The previous H-M symbol was apparently incorrectly
  assigned by our software from the short symbol I2/c provided by th
  authors. The 'I 1 2/c 1' symbol is compatible with the provided cell
  angles and gives reasonable packing, unlike the previous incorrect
  'I 2/c 1 1' symbol.

  Saulius Gra\<zulis
  2014-06-18

;
_cod_original_cell_volume        1938.0(10)
_cod_original_sg_symbol_H-M      I2/c
_cod_original_formula_sum        'C3 H11 Cl2 N2 O1 P1 Pt1'
_cod_database_code               2000318
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pt .13023(2) .4421(4) .24840(2)
Cl(1) .19100(10) .7202(3) .31650(10)
Cl(2) .12630(10) .3348(4) .37290(10)
P .09600(10) .2165(3) .04610(10)
O .0040(3) .2631(9) -.0071(4)
N(1) .1330(4) .5420(10) .1380(4)
N(2) .0725(4) .1980(10) .1893(4)
C(1) .1629(4) .4190(10) .0868(5)
C(2) .1105(5) .0880(10) .1427(5)
C(3) .1422(5) .078(2) -.0060(5)
O(W) .500 .6220(10) .250
H(W) .473 .706 .219
H(11N) .169 .648 .155
H(12N) .077 .580 .099
H(21N) .016 .227 .148
H(22N) .072 .120 .234
H(11) .161 .488 .039
H(12) .219 .381 .124
H(21) .169 .072 .180
H(22) .084 -.030 .126
H(31) .200 .057 .033
H(32) .113 -.038 -.023
H(33) .138 .141 -.057
