Crystallography Open Database

Information card for entry 4118316

Preview

Coordinates	4118316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H19 Cl2 N5 O3 Ru S
Calculated formula	C5 H17 Cl2 N5 O2.998 Ru S0.999
Title of publication	Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction
Authors of publication	Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	11860 - 11863
a	7.102 ± 0.005 Å
b	9.761 ± 0.006 Å
c	21.306 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	1477 ± 1.7 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P m c n
Hall space group symbol	-P 2n 2a
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for all reflections included in the refinement	0.1542
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
178954 (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 4/11/83.	4118316.cif
75841	2013-03-13	cif/ Adding structures of 4118316 via cif-deposit CGI script.	4118316.cif