#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/08/7100850.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_7100850
loop_
_publ_author_name
'J. Vicente'
'A. Arcas'
'J.M. Fernandez-Hernandez'
'A. Sironi'
_publ_section_title
;
An unprecedented process involving a normal and redox transmetallation
reactions between Hg and Pt, affording the unexpected
K[PtIV2(CH2C(O)Me)6(mu-Cl)3] complex. The key role of X-ray powder diffraction
in unravelling its nature and structure.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416261g
_journal_year                    2005
_chemical_formula_iupac          'K [Pt2 (CH2C(O)CH3)6 Cl 3]'
_chemical_formula_moiety         'H30 C18 O6 Cl3 Pt2, K'
_chemical_formula_structural     'K [Pt2 (CH2C(O)CH3)6 Cl 3]'
_chemical_formula_sum            'C18 H30 Cl3 K O6 Pt2'
_chemical_formula_weight         878.04
_chemical_name_common
'tricloro-hexaacetonyl-bisplatinum(iv) potassium salt'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.47294(22)
_cell_length_b                   9.47294(22)
_cell_length_c                   17.57073(51)
_cell_measurement_temperature    295
_cell_volume                     1365.495(74)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    2.135
_pd_proc_ls_prof_R_factor        0.085
_pd_proc_ls_prof_wR_expected     0.043
_pd_proc_ls_prof_wR_factor       0.111
_cod_original_formula_sum        'H30 C18 O6 K Cl3 Pt2'
_cod_database_code               7100850
loop_
_symmetry_equiv_pos_as_xyz
'-x, -y, -z'
'-x, -y, z+1/2'
'-x+y, -x, -z+1/2'
'-x+y, -x, z'
'-y, x-y, -z+1/2'
'-y, x-y, z'
'y, -x+y, -z'
'y, -x+y, z+1/2'
'x-y, x, -z'
'x-y, x, z+1/2'
'x, y, -z+1/2'
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Pt Pt 12 0.6666667 -0.6666667 -0.84360(10) 1 2.87(31)
Cl Cl 6 0.7306(11) -0.4390(10) -0.75 1 4.87(31)
C1 C 12 0.8674385 -0.5234298 -0.5766928 1 4.87(31)
H1 H 12 0.9424749 -0.5621779 -0.5744142 1 4.87(31)
H2 H 12 0.8164007 -0.537704 -0.5285408 1 4.87(31)
C2 C 12 0.954112 -0.3506207 -0.5965513 1 4.87(31)
O O 12 0.9047561 -0.2590396 -0.57203 1 4.87(31)
C3 C 12 1.098434 -0.2847794 -0.6450502 1 4.87(31)
H4 H 12 1.069995 -0.3387934 -0.6928693 1 4.87(31)
H5 H 12 1.140017 -0.1714077 -0.6524585 1 4.87(31)
H6 H 12 1.179197 -0.3012953 -0.6213811 1 4.87(31)
K K 2 0.0 0.0 0.0 1 4.87(31)
