Crystallography Open Database

Information card for entry 4118327

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Coordinates	4118327.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	7.1389 ± 0.0017 Å
b	10.738 ± 0.003 Å
c	9.936 ± 0.002 Å
α	90°
β	90.921 ± 0.003°
γ	90°
Cell volume	761.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	0.895
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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