Crystallography Open Database

Information card for entry 4115632

Preview

Coordinates	4115632.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RuHCl(R-binap)(tmen)
Formula	C50 H49 Cl N2 P2 Ru
Calculated formula	C50 H49 Cl N2 P2 Ru
Title of publication	Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes
Authors of publication	Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	7473 - 7474
a	11.196 ± 0.0008 Å
b	11.196 ± 0.0008 Å
c	72.929 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	9141.7 ± 1 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.1749
Weighted residual factors for all reflections included in the refinement	0.1777
Goodness-of-fit parameter for all reflections included in the refinement	1.219
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115632.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115632.cif
69234	2012-12-04	cif/ Adding structures of 4115632 via cif-deposit CGI script.	4115632.cif