Crystallography Open Database

Information card for entry 4118323

Preview

Coordinates	4118323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H18 Cl3 N5 O3 Ru S
Calculated formula	C5 H16 Cl3 N5 O3 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	6.909 ± 0.005 Å
b	9.769 ± 0.006 Å
c	23.346 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	1575.7 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0692
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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