Crystallography Open Database

Information card for entry 4074580

Preview

Coordinates	4074580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H21 Cl7 N Ru S2 Sb
Calculated formula	C13 H21 Cl7 N Ru S2 Sb
Title of publication	Highly Oxidized Ruthenium Organometallic Compounds. The Synthesis and One-Electron Electrochemical Oxidation of [CpRuIVCl2(S2CR)] (Cp = η5-C5Me5, R = NMe2, NEt2, OiPr)
Authors of publication	Kuan, Seah Ling; Tay, Elaine Phuay Leng; Leong, Weng Kee; Goh, Lai Yoong; Lin, Ching Yeh; Gill, Peter M. W.; Webster, Richard D.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	26
Pages of publication	6134
a	8.2628 ± 0.0005 Å
b	11.0759 ± 0.0007 Å
c	26.4815 ± 0.0016 Å
α	90°
β	96.586 ± 0.001°
γ	90°
Cell volume	2407.5 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0893
Weighted residual factors for significantly intense reflections	0.1903
Weighted residual factors for all reflections included in the refinement	0.194
Goodness-of-fit parameter for all reflections included in the refinement	1.315
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178634 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/45.	4074580.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074580.cif
48459	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074578, 4074579, 4074580 via cif-deposit CGI script.	4074580.cif