Crystallography Open Database

Information card for entry 4118296

Preview

Coordinates	4118296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H19 Cl2 N5 O3 Ru S
Calculated formula	C5 H17 Cl2 N5 O2.999 Ru S
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	9.803 ± 0.009 Å
b	7.029 ± 0.006 Å
c	21.595 ± 0.019 Å
α	90°
β	90°
γ	90°
Cell volume	1488 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P c m n
Hall space group symbol	-P 2n 2ac
Residual factor for all reflections	0.1375
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.188
Goodness-of-fit parameter for all reflections included in the refinement	0.786
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4118296.html