Crystallography Open Database

Information card for entry 7019414

7019413 << 7019414 >> 7019415

Preview

Coordinates	7019414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 N O5 Ru S
Calculated formula	C18 H22 N O5 Ru S
SMILES	[Ru]123([S](c4c(N1C=O)cccc4)C)(OC(=CC(=[O]2)C)C)[O]=C(C=C(O3)C)C
Title of publication	Bis(acetonitrile)bis(acetylacetonato)ruthenium(iii) mediated chemical transformations of coordinated 2-methylthioanilide.
Authors of publication	Chatterjee, Sudipta; Mandal, Sutanuva; Samanta, Subhas; Goswami, Sreebrata
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	23
Pages of publication	7057 - 7066
a	12.513 ± 0.003 Å
b	11.347 ± 0.005 Å
c	15.814 ± 0.006 Å
α	90°
β	122.29 ± 0.02°
γ	90°
Cell volume	1898.1 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0863
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179898 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94.	7019414.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019414.cif
62864	2012-07-09	cif/ Adding structures of 7019413, 7019414, 7019415, 7019416 via cif-deposit CGI script.	7019414.cif