Crystallography Open Database

Information card for entry 7019413

7019412 << 7019413 >> 7019414

Preview

Coordinates	7019413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 N O5 Ru S
Calculated formula	C23 H27 N O5 Ru S
SMILES	[Ru]123([S](C4C(=[NH]3)C=CC(=O)C=4)C)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]1)C)C.c1ccccc1
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	14.187 ± 0.003 Å
b	12.1 ± 0.006 Å
c	13.961 ± 0.004 Å
α	90°
β	100.43 ± 0.01°
γ	90°
Cell volume	2357 ± 1.4 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	0.0668
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	7019413.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019413.cif
62864	2012-07-09	cif/ Adding structures of 7019413, 7019414, 7019415, 7019416 via cif-deposit CGI script.	7019413.cif