Crystallography Open Database

Information card for entry 4117510

Preview

Coordinates	4117510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H68 P4 Ru Si
Calculated formula	C32 H68 P4 Ru Si
Title of publication	Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies
Authors of publication	Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	3480 - 3497
a	10.7597 ± 0.0006 Å
b	17.135 ± 0.001 Å
c	20.224 ± 0.0011 Å
α	90°
β	105.116 ± 0.001°
γ	90°
Cell volume	3599.6 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
178946 (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 4/11/75.	4117510.cif
74610	2013-03-01	cif/ Adding structures of 4117510 via cif-deposit CGI script.	4117510.cif