Crystallography Open Database

Information card for entry 4118318

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Coordinates	4118318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H19 Cl2 N5 O3 Ru S
Calculated formula	C5 H17 Cl2 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	7.047 ± 0.011 Å
b	9.768 ± 0.016 Å
c	21.49 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	1479 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1512
Residual factor for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.4126
Goodness-of-fit parameter for all reflections included in the refinement	1.512
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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