Crystallography Open Database

Information card for entry 4085623

Preview

Coordinates	4085623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H28 Cl2 N5 P Ru
Calculated formula	C37 H28 Cl2 N5 P Ru
SMILES	[Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c4n(cccc4)cc3c3[n]1c(ccc3)c1[n]2c2n(c1)cccc2
Title of publication	New Type of 2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine-Based Ruthenium Complexes: Active Catalysts for Transfer Hydrogenation of Ketones
Authors of publication	Li, Ke; Niu, Jun-Long; Yang, Ming-Ze; Li, Zhen; Wu, Li-Yuan; Hao, Xin-Qi; Song, Mao-Ping
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	7
Pages of publication	1170
a	32.3373 ± 0.0009 Å
b	32.3373 ± 0.0009 Å
c	15.1351 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	15826.8 ± 1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
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
178745 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/56.	4085623.cif
138300	2015-06-05	cif/ Updating files of 4085623, 4085624 Original log message: Adding full bibliography for 4085623--4085624.cif.	4085623.cif
134002	2015-03-18	cif/ Adding structures of 4085623, 4085624 via cif-deposit CGI script.	4085623.cif