#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/08/7050878.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_7050878
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            'C24 H28 Cl4 N4 O4 Pt'
_chemical_formula_weight         773.39
_chemical_name_common            ' trans-(PtCl4{NH=C(Et)ON=C(Me)C(Ph)(=O)}2]'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.8886(12)
_cell_angle_beta                 74.9911(12)
_cell_angle_gamma                73.4238(12)
_cell_formula_units_Z            1
_cell_length_a                   7.8552(2)
_cell_length_b                   8.5681(2)
_cell_length_c                   11.6142(3)
_cell_measurement_temperature    120(2)
_cell_volume                     722.39(3)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.778
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               7050878
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.2567(6) -0.2276(6) 0.0464(4) 0.0316(9) Uani 1 1 d . . .
C2 C 0.2515(7) -0.2594(6) -0.0775(4) 0.0369(10) Uani 1 1 d . . .
H2A H 0.3045 -0.1837 -0.1306 0.044 Uiso 1 1 calc R . .
H2B H 0.1220 -0.2392 -0.0801 0.044 Uiso 1 1 calc R . .
C3 C 0.3619(9) -0.4384(7) -0.1232(5) 0.0501(13) Uani 1 1 d . . .
H3A H 0.4919 -0.4563 -0.1259 0.075 Uiso 1 1 calc R . .
H3B H 0.3511 -0.4582 -0.2034 0.075 Uiso 1 1 calc R . .
H3C H 0.3124 -0.5134 -0.0690 0.075 Uiso 1 1 calc R . .
C4 C 0.0471(6) -0.3483(6) 0.3144(5) 0.0362(10) Uani 1 1 d . . .
C5 C -0.0542(8) -0.4523(7) 0.2772(5) 0.0436(12) Uani 1 1 d . . .
H5A H -0.1441 -0.3864 0.2376 0.065 Uiso 1 1 calc R . .
H5B H -0.1183 -0.4976 0.3477 0.065 Uiso 1 1 calc R . .
H5C H 0.0332 -0.5415 0.2218 0.065 Uiso 1 1 calc R . .
C6 C 0.0124(7) -0.3066(6) 0.4467(5) 0.0395(11) Uani 1 1 d . . .
C7 C 0.1447(7) -0.2491(7) 0.4927(5) 0.0392(11) Uani 1 1 d . . .
C8 C 0.3328(8) -0.3017(11) 0.4404(6) 0.068(2) Uani 1 1 d . . .
H8 H 0.3812 -0.3714 0.3697 0.081 Uiso 1 1 calc R . .
C9 C 0.4488(10) -0.2511(15) 0.4928(8) 0.099(4) Uani 1 1 d . . .
H9 H 0.5781 -0.2882 0.4584 0.119 Uiso 1 1 calc R . .
C10 C 0.3798(11) -0.1477(11) 0.5941(6) 0.071(2) Uani 1 1 d . . .
H10 H 0.4609 -0.1127 0.6286 0.085 Uiso 1 1 calc R . .
C11 C 0.1943(8) -0.0960(7) 0.6444(5) 0.0470(13) Uani 1 1 d . . .
H11 H 0.1459 -0.0225 0.7131 0.056 Uiso 1 1 calc R . .
C12 C 0.0782(8) -0.1491(7) 0.5968(5) 0.0451(12) Uani 1 1 d . . .
H12 H -0.0500 -0.1173 0.6354 0.054 Uiso 1 1 calc R . .
N1 N 0.3431(5) -0.1404(4) 0.0815(4) 0.0324(8) Uani 1 1 d . . .
H1 H 0.3315 -0.1419 0.1589 0.039 Uiso 1 1 calc R . .
N2 N 0.1503(6) -0.2750(5) 0.2459(4) 0.0366(9) Uani 1 1 d . . .
O1 O 0.1565(5) -0.3089(4) 0.1241(3) 0.0353(7) Uani 1 1 d . . .
O2 O -0.1307(6) -0.3166(6) 0.5126(4) 0.0589(11) Uani 1 1 d . . .
Cl1 Cl 0.66095(18) -0.18302(16) -0.16238(12) 0.0459(3) Uani 1 1 d . . .
Cl2 Cl 0.71346(19) -0.13346(15) 0.10159(13) 0.0456(3) Uani 1 1 d . . .
Pt1 Pt 0.5000 0.0000 0.0000 0.02714(11) Uani 1 2 d S . .
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
C1 N1 1.276(6) . ?
C1 O1 1.356(6) . ?
C1 C2 1.483(7) . ?
C2 C3 1.555(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 N2 1.273(6) . ?
C4 C5 1.487(7) . ?
C4 C6 1.521(7) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 O2 1.209(6) . ?
C6 C7 1.482(7) . ?
C7 C8 1.386(8) . ?
C7 C12 1.389(8) . ?
C8 C9 1.383(10) . ?
C8 H8 0.9500 . ?
C9 C10 1.378(12) . ?
C9 H9 0.9500 . ?
C10 C11 1.365(10) . ?
C10 H10 0.9500 . ?
C11 C12 1.361(8) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
N1 Pt1 2.015(4) . ?
N1 H1 0.8800 . ?
N2 O1 1.436(5) . ?
Cl1 Pt1 2.3157(12) . ?
Cl2 Pt1 2.3216(12) . ?
Pt1 N1 2.015(4) 2_655 ?
Pt1 Cl1 2.3157(12) 2_655 ?
Pt1 Cl2 2.3216(12) 2_655 ?
