Crystallography Open Database

Information card for entry 4111383

Preview

Coordinates	4111383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H61 B N2 P2 Ru
Calculated formula	C54 H61 B N2 P2 Ru
Title of publication	Enantioselective Tandem Michael Addition/H2-Hydrogenation Catalyzed by Ruthenium Hydride Borohydride Complexes Containing β-aminophosphine Ligands1
Authors of publication	Rongwei Guo; Robert H. Morris; Datong Song
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	516 - 517
a	14.75 ± 0.003 Å
b	10.849 ± 0.002 Å
c	16.712 ± 0.003 Å
α	90°
β	114.29 ± 0.03°
γ	90°
Cell volume	2437.6 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178884 (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 4/11/13.	4111383.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111383.cif
62982	2012-07-13	cif/ Adding structures of 4111383 via cif-deposit CGI script.	4111383.cif