Crystallography Open Database

Information card for entry 7113028

Preview

Coordinates	7113028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 Cl N2 O2 Ru
Calculated formula	C13 H9 Cl N2 O2 Ru
SMILES	[Ru]12(Cl)(Oc3ccccc3[N]2=Cc2ccccc2O1)#N
Title of publication	A novel tricyanoruthenium(III) building block for the construction of bimetallic coordination polymers.
Authors of publication	Xiang, Jing; Man, Wai-Lun; Guo, Junfang; Yiu, Shek-Man; Lee, Gene-Hsiang; Peng, Shie-Ming; Xu, Guancheng; Gao, Song; Lau, Tai-Chu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	33
Pages of publication	6102 - 6104
a	7.7794 ± 0.0007 Å
b	12.5674 ± 0.0011 Å
c	13.3405 ± 0.0012 Å
α	90°
β	106.133 ± 0.002°
γ	90°
Cell volume	1252.9 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0393
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
180244 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30.	7113028.cif
112214	2014-04-30	cif/ Adding structures of 7113028, 7113029, 7113030, 7113031 via cif-deposit CGI script.	7113028.cif