Information card for entry 4118324

Structure parameters

• Formula: C5 H18 Cl3 N5 O3 Ru S
• Calculated formula: C5 H16 Cl3 N5 O3.001 Ru S1.001
• 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: 6.952 ± 0.002 Å
• b: 9.772 ± 0.003 Å
• c: 23.295 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1582.5 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No