Crystallography Open Database

Information card for entry 4110555

Preview

Coordinates	4110555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.25 H40.5 Br Cl0.5 F6 N8 P Ru
Calculated formula	C31.25 H40.5 Br Cl0.5 F6 N8 P Ru
Title of publication	Can the Disproportion of Oxidation State III Be Favored in RuII-OH2/RuIVO Systems?
Authors of publication	Ester Masllorens; Montserrat Rodríguez; Isabel Romero; Anna Roglans; Teodor Parella; Jordi Benet-Buchholz; Macarena Poyatos; Antoni Llobet
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	5306 - 5307
a	11.993 ± 0.003 Å
b	29.271 ± 0.006 Å
c	13.298 ± 0.003 Å
α	90°
β	114.615 ± 0.005°
γ	90°
Cell volume	4244 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1879
Residual factor for significantly intense reflections	0.114
Weighted residual factors for significantly intense reflections	0.2833
Weighted residual factors for all reflections included in the refinement	0.336
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
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.	4110555.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110555.cif
59354	2012-06-05	cif/ Adding structures of 4110555 via cif-deposit CGI script.	4110555.cif