Crystallography Open Database

Information card for entry 4323750

Preview

Coordinates	4323750.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetrakis(2-propanone oxime)platinum(II) bischloride
Formula	C12 H28 Cl2 N4 O4 Pt
Calculated formula	C12 H28 Cl2 N4 O4 Pt
SMILES	[Pt]([N](O)=C(C)C)([N](O)=C(C)C)([N](O)=C(C)C)[N](O)=C(C)C.[Cl-].[Cl-]
Title of publication	Hydrogen-Bonding Patterns in Oxime/Oximato Platinum(II) Species Providing the Formation of One-Dimensional Chains, Two-Dimensional Networks, and Cages
Authors of publication	Vadim Yu. Kukushkin; Takanori Nishioka; David Tudela; Kiyoshi Isobe; Isamu Kinoshita
Journal of publication	Inorganic Chemistry
Year of publication	1997
Journal volume	36
Pages of publication	6157 - 6165
a	9.922 ± 0.002 Å
b	12.205 ± 0.002 Å
c	17.241 ± 0.003 Å
α	90°
β	100.35 ± 0.03°
γ	90°
Cell volume	2053.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0147
Residual factor for significantly intense reflections	0.0147
Weighted residual factors for all reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0369
Goodness-of-fit parameter for all reflections	1.085
Goodness-of-fit parameter for significantly intense reflections	1.085
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179340 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/37.	4323750.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4323750.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323750.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323750.cif
23999	2011-08-12	../uploads/cif-deposit/cod/cif Adding structures of 4323750 via cif-deposit CGI script.	4323750.cif