Crystallography Open Database

Information card for entry 4119586

4119585 << 4119586 >> 4119587

Preview

Coordinates	4119586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H29 Cl5 N4 O2 Ru
Calculated formula	C28 H29 Cl5 N4 O2 Ru
SMILES	c12ccccc1C=[N]1[C@@H]3CCCC[C@H]3[N]3=Cc4ccccc4O[Ru]13(N=Nc1ccccc1)(O2)Cl.C(Cl)Cl.C(Cl)Cl.c12ccccc1C=[N]1[C@H]3CCCC[C@@H]3[N]3=Cc4ccccc4O[Ru]13(N=Nc1ccccc1)(O2)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	C-N Bond Cleavage of Anilines by a (Salen)ruthenium(VI) Nitrido Complex
Authors of publication	Wai-Lun Man; Jianhui Xie; Yi Pan; William W. Y. Lam; Hoi-Ki Kwong; Kwok-Wa Ip; Shek-Man Yiu; Kai-Chung Lau; Tai-Chu Lau
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	5533 - 5536
a	15.9922 ± 0.0005 Å
b	18.3461 ± 0.0006 Å
c	10.4644 ± 0.0003 Å
α	90°
β	97.504 ± 0.003°
γ	90°
Cell volume	3043.9 ± 0.16 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0613
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1654
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CUKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178966 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/95.	4119586.cif
103746	2014-03-06	cif/ Adding structures of 4119586 via cif-deposit CGI script.	4119586.cif