Crystallography Open Database

Information card for entry 7113029

Preview

Coordinates	7113029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H48 N5 O2 P2 Ru
Calculated formula	C65 H48 N5 O2 P2 Ru
SMILES	[Ru]12(Oc3ccccc3C(=[N]2c2ccccc2O1)C#N)(C#N)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
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	12.1715 ± 0.0001 Å
b	27.0344 ± 0.0003 Å
c	17.9058 ± 0.0002 Å
α	90°
β	97.273 ± 0.001°
γ	90°
Cell volume	5844.48 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.039
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	7113029.cif
112214	2014-04-30	cif/ Adding structures of 7113028, 7113029, 7113030, 7113031 via cif-deposit CGI script.	7113029.cif