Information card for entry 4118303

Structure parameters

• Formula: C5 H18 Cl3 N5 O3 Ru S
• Calculated formula: C5 H18 Cl3 N5 O3 Ru S
• SMILES: [Ru]([S](=O)=O)([n]1ccc(Cl)cc1)([NH3])([NH3])([NH3])[NH3].[Cl-].[Cl-].O
• 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: 7.13 ± 0.002 Å
• b: 10.625 ± 0.003 Å
• c: 9.959 ± 0.003 Å
• α: 90°
• β: 91.675 ± 0.003°
• γ: 90°
• Cell volume: 754.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No