Crystallography Open Database

Information card for entry 4111424

Preview

Coordinates	4111424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H57 Cl N2 P2 Ru
Calculated formula	C54 H57 Cl N2 P2 Ru
Title of publication	A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?
Authors of publication	Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	1870 - 1882
a	10.8185 ± 0.0002 Å
b	13.0054 ± 0.0003 Å
c	16.0637 ± 0.0003 Å
α	83.061 ± 0.001°
β	77.156 ± 0.001°
γ	81.597 ± 0.001°
Cell volume	2170.78 ± 0.08 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178885 (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 4/11/14.	4111424.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111424.cif
63023	2012-07-13	cif/ Adding structures of 4111424 via cif-deposit CGI script.	4111424.cif