#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:08:48 +0100 (vie 25 de mar de 2016) $
#$Revision: 180062 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/08/7050877.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_7050877
loop_
_publ_author_name
'Pombeiro, Armando'
'Bokach, Nadezhda A.'
'Galanski, Markus'
'Garnovskii, Dmitrii A.'
'Haukka, Matti'
'Keppler, Bernhard K.'
'Kukushkin, Vadim Yu.'
'Makarycheva-Mikhailova, Anastassiya V.'
_publ_section_title
;
Platinum(IV)-mediated Coupling of Dione Monoximes and Nitriles: a
Novel Reactivity Pattern of the Classic Oxime-based Chelating Ligands
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2002
_chemical_formula_sum            'C12 H20 Cl4 N4 O4 Pt'
_chemical_formula_weight         621.21
_chemical_name_common            trans_[PtCl4{NH=C(Me)ON=C(Me)C(Me)(O)}2]
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.215(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.1415(2)
_cell_length_b                   15.0031(4)
_cell_length_c                   11.3715(2)
_cell_measurement_temperature    120(2)
_cell_volume                     1027.78(5)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    2.007
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7050877
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.0000 0.0000 0.0000 0.01709(6) Uani 1 2 d S . .
Cl1 Cl 0.15786(10) 0.01910(4) -0.16751(6) 0.02838(12) Uani 1 1 d . . .
Cl2 Cl 0.21649(10) -0.12599(4) 0.05123(6) 0.02942(13) Uani 1 1 d . . .
N1 N 0.2345(3) 0.08474(13) 0.08420(18) 0.0224(4) Uani 1 1 d . . .
C1 C 0.3583(3) 0.08773(14) 0.18746(19) 0.0214(4) Uani 1 1 d . . .
C2 C 0.3750(4) 0.02131(18) 0.2852(2) 0.0257(5) Uani 1 1 d . . .
O1 O 0.4995(2) 0.15670(10) 0.22123(14) 0.0250(3) Uani 1 1 d . . .
N2 N 0.4623(3) 0.22870(12) 0.13670(17) 0.0242(4) Uani 1 1 d . . .
C4 C 0.6381(4) 0.27551(14) 0.1434(2) 0.0247(5) Uani 1 1 d . . .
C5 C 0.8607(4) 0.25968(19) 0.2193(3) 0.0334(5) Uani 1 1 d . . .
C6 C 0.6069(4) 0.35351(15) 0.0566(2) 0.0303(5) Uani 1 1 d . . .
C7 C 0.3768(5) 0.37871(19) -0.0037(3) 0.0385(6) Uani 1 1 d . . .
O2 O 0.7695(3) 0.39284(13) 0.04103(18) 0.0423(5) Uani 1 1 d . . .
H1 H 0.248(4) 0.1276(17) 0.043(2) 0.013(6) Uiso 1 1 d . . .
H2A H 0.320(5) 0.048(2) 0.351(3) 0.046(8) Uiso 1 1 d . . .
H2B H 0.524(8) 0.0084(19) 0.324(4) 0.053(12) Uiso 1 1 d . . .
H2C H 0.295(6) -0.033(3) 0.259(3) 0.050(9) Uiso 1 1 d . . .
H5A H 0.863(5) 0.292(2) 0.287(3) 0.042(8) Uiso 1 1 d . . .
H5B H 0.971(6) 0.284(2) 0.180(3) 0.063(10) Uiso 1 1 d . . .
H5C H 0.884(5) 0.199(2) 0.235(3) 0.047(9) Uiso 1 1 d . . .
H7A H 0.281(6) 0.321(2) -0.032(3) 0.061(10) Uiso 1 1 d . . .
H7B H 0.299(6) 0.401(3) 0.052(4) 0.073(12) Uiso 1 1 d . . .
H7C H 0.388(6) 0.419(3) -0.058(3) 0.061(10) Uiso 1 1 d . . .
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 N1 2.0175(18) 3 ?
Pt1 N1 2.0175(18) . ?
Pt1 Cl1 2.3170(6) . ?
Pt1 Cl1 2.3170(6) 3 ?
Pt1 Cl2 2.3193(6) 3 ?
Pt1 Cl2 2.3193(6) . ?
N1 C1 1.270(3) . ?
N1 H1 0.81(3) . ?
C1 O1 1.356(2) . ?
C1 C2 1.482(3) . ?
C2 H2A 0.97(3) . ?
C2 H2B 0.96(5) . ?
C2 H2C 0.96(4) . ?
O1 N2 1.434(2) . ?
N2 C4 1.277(3) . ?
C4 C5 1.488(3) . ?
C4 C6 1.519(3) . ?
C5 H5A 0.91(3) . ?
C5 H5B 0.95(4) . ?
C5 H5C 0.93(3) . ?
C6 O2 1.202(3) . ?
C6 C7 1.494(4) . ?
C7 H7A 1.06(4) . ?
C7 H7B 0.93(4) . ?
C7 H7C 0.88(4) . ?
