Information card for entry 4118301

Structure parameters

• Formula: C5 H19 Cl2 N5 O3 Ru S
• Calculated formula: C5 H19 Cl2 N5 O3 Ru S
• SMILES: c1cccc[n]1[Ru]([NH3])([NH3])([S](=O)=O)([NH3])[NH3].O.[Cl-].[Cl-]
• 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: 6.938 ± 0.0009 Å
• b: 9.6437 ± 0.0013 Å
• c: 21.505 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1438.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0288
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No