Crystallography Open Database

Information card for entry 4306845

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Coordinates	4306845.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	fac-Tricarbonyl(Diclhoro)(Thiazole)Ruthenium(II)
Formula	C6 H3 Cl2 N O3 Ru S
Calculated formula	C6 H3 Cl2 N O3 Ru S
SMILES	[Ru](Cl)(Cl)(C#[O])(C#[O])(C#[O])[n]1cscc1
Title of publication	fac-{Ru(CO)3}2±Core Complexes and Design of Metal-Based Drugs. Synthesis, Structure, and Reactivity of Ru-Thiazole Derivative with Serum Proteins and Absorption-Release Studies with Acryloyl and Silica Hydrogels as Carriers in Physiological Media
Authors of publication	Renzo Cini; Sandra Defazio; Gabriella Tamasi; Mario Casolaro; Luigi Messori; Angela Casini; Margherita Morpurgo; Michael Hursthouse
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	79 - 92
a	10.389 ± 0.002 Å
b	18.465 ± 0.003 Å
c	12.439 ± 0.002 Å
α	90°
β	111.02 ± 0.02°
γ	90°
Cell volume	2227.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0575
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179106 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/68.	4306845.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306845.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306845.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4306845.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306845.cif