#------------------------------------------------------------------------------
#$Date: 2022-09-15 02:29:21 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277856 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/10/07/4100786.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_4100786
loop_
_publ_author_name
'Masahiko Ochiai'
'Yong-Shou Lin'
'Jun Yamada'
'Hanae Misawa'
'Saiko Arai'
'Kazuko Matsumoto'
_publ_section_title
;
Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel
Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via
Ketonyl-Pt(III) Dinuclear Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2536
_journal_page_last               2545
_journal_paper_doi               10.1021/ja0302634
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C14 H39 N9 O12 Pt2'
_chemical_formula_weight         915.72
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.363(14)
_cell_angle_beta                 82.960(12)
_cell_angle_gamma                84.854(14)
_cell_formula_units_Z            2
_cell_length_a                   9.807(8)
_cell_length_b                   10.045(8)
_cell_length_c                   14.724(11)
_cell_measurement_temperature    293(2)
_cell_volume                     1433.5(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.122
_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               4100786
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
C10 C 0.0246(11) 0.3694(10) 0.2408(8) 0.052(3) Uani 1 1 d . . .
C11 C -0.1050(17) 0.4530(15) 0.2810(12) 0.098(6) Uani 1 1 d . . .
C14 C -0.2302(19) 0.391(3) 0.2333(16) 0.150(9) Uani 1 1 d . . .
C12 C -0.126(2) 0.423(2) 0.3788(13) 0.163(10) Uani 1 1 d . . .
C13 C -0.117(2) 0.5913(17) 0.2456(16) 0.147(9) Uani 1 1 d . . .
C5 C 0.3465(11) 0.2279(11) 0.3184(7) 0.046(3) Uani 1 1 d . . .
C6 C 0.4011(14) 0.2388(12) 0.4111(8) 0.063(3) Uani 1 1 d . . .
C7 C 0.283(2) 0.2030(19) 0.4853(10) 0.114(7) Uani 1 1 d . . .
C8 C 0.5320(17) 0.1379(19) 0.4091(11) 0.106(6) Uani 1 1 d . . .
C9 C 0.436(2) 0.3788(17) 0.4248(10) 0.106(6) Uani 1 1 d . . .
C1 C 0.0659(14) -0.0439(13) 0.2801(9) 0.070(4) Uani 1 1 d . . .
C4 C -0.0796(18) -0.0048(17) 0.3079(13) 0.110(6) Uani 1 1 d . . .
C2 C 0.147(3) -0.121(4) 0.338(3) 0.27(3) Uani 1 1 d . . .
C3 C 0.090(3) -0.057(4) 0.4368(17) 0.24(2) Uani 1 1 d . . .
N4 N 0.0566(10) 0.0883(10) 0.1029(7) 0.063(3) Uani 1 1 d . . .
N3 N 0.3209(10) -0.0334(8) 0.1491(6) 0.056(2) Uani 1 1 d . . .
N6 N 0.2352(9) 0.3523(8) 0.0031(6) 0.052(2) Uani 1 1 d . . .
N5 N 0.4905(9) 0.2479(9) 0.0707(6) 0.051(2) Uani 1 1 d . . .
N2 N 0.1203(10) 0.4183(8) 0.1838(7) 0.055(2) Uani 1 1 d . . .
N1 N 0.3654(9) 0.3169(9) 0.2544(6) 0.051(2) Uani 1 1 d . . .
N7 N 0.8555(11) 0.2851(10) 0.9662(10) 0.075(4) Uani 1 1 d . . .
N8 N 0.7009(11) 0.9666(9) 0.1080(7) 0.059(3) Uani 1 1 d . . .
N9 N 0.4900(13) 0.6139(11) 0.1621(10) 0.086(4) Uani 1 1 d . . .
O3 O 0.0287(8) 0.2450(7) 0.2627(6) 0.063(2) Uani 1 1 d . . .
O2 O 0.2842(8) 0.1239(7) 0.3089(5) 0.059(2) Uani 1 1 d . . .
O1 O 0.252(3) -0.184(3) 0.343(2) 0.33(2) Uani 1 1 d . . .
O4 O 0.802(2) 0.3203(19) 0.904(2) 0.309(18) Uani 1 1 d . . .
O5 O 0.8395(12) 0.1725(10) 0.9879(9) 0.110(4) Uani 1 1 d . . .
O6 O 0.9259(10) 0.3557(10) 0.9996(8) 0.098(4) Uani 1 1 d . . .
O7 O 0.6535(13) 1.0334(12) 0.1727(7) 0.121(4) Uani 1 1 d . . .
O8 O 0.8185(10) 0.9061(8) 0.0977(7) 0.078(3) Uani 1 1 d . . .
O9 O 0.6273(9) 0.9603(8) 0.0452(6) 0.069(2) Uani 1 1 d . . .
O10 O 0.5190(11) 0.7273(8) 0.1423(7) 0.092(3) Uani 1 1 d . . .
O11 O 0.4506(13) 0.5825(10) 0.2425(8) 0.109(4) Uani 1 1 d . . .
O12 O 0.5042(17) 0.5289(11) 0.1057(9) 0.152(7) Uani 1 1 d . . .
Pt1 Pt 0.17494(4) 0.10854(3) 0.20474(3) 0.04094(16) Uani 1 1 d . . .
Pt2 Pt 0.29898(4) 0.32486(3) 0.13044(3) 0.03983(16) Uani 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
C10 O3 1.280(12) . ?
C10 N2 1.301(13) . ?
C10 C11 1.524(16) . ?
C11 C12 1.46(2) . ?
C11 C13 1.47(2) . ?
C11 C14 1.66(3) . ?
C5 O2 1.276(12) . ?
C5 N1 1.288(13) . ?
C5 C6 1.537(15) . ?
C6 C9 1.501(18) . ?
C6 C7 1.549(18) . ?
C6 C8 1.56(2) . ?
C1 C2 1.40(3) . ?
C1 C4 1.46(2) . ?
C1 Pt1 2.150(13) . ?
C2 O1 1.17(4) . ?
C2 C3 1.62(6) . ?
N4 Pt1 2.030(9) . ?
N3 Pt1 2.041(8) . ?
N6 Pt2 2.052(9) . ?
N5 Pt2 2.067(8) . ?
N2 Pt2 1.995(9) . ?
N1 Pt2 2.009(9) . ?
N7 O4 1.15(2) . ?
N7 O5 1.185(13) . ?
N7 O6 1.189(13) . ?
N8 O7 1.203(12) . ?
N8 O9 1.247(12) . ?
N8 O8 1.249(12) . ?
N9 O12 1.196(15) . ?
N9 O10 1.217(13) . ?
N9 O11 1.241(15) . ?
O3 Pt1 2.019(7) . ?
O2 Pt1 1.992(8) . ?
Pt1 Pt2 2.7222(16) . ?
