Crystallography Open Database

Information card for entry 4118307

Preview

Coordinates	4118307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H19 Cl2 N5 O3 Ru S
Calculated formula	C5 H17 Cl2 N5 O2.965 Ru S0.982
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	6.992 ± 0.004 Å
b	9.735 ± 0.005 Å
c	21.55 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	1466.8 ± 1.4 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 m c n
Hall space group symbol	-P 2n 2a
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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