Information card for entry 7005669

Structure parameters

• Formula: C16 H24 N2 O8 Ru S2
• Calculated formula: C16 H24 N2 O8 Ru S2
• SMILES: [Ru]12([S](=O)(C)C)([S](=O)(C)C)(OC(=O)c3[n]1cccc3)OC(=O)c1[n]2cccc1.O.O
• Title of publication: Phototriggered sulfoxide isomerization in [Ru(pic)2(dmso)2].
• Authors of publication: Rachford, Aaron A.; Petersen, Jeffrey L.; Rack, Jeffrey J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3245 - 3251
• a: 8.2708 ± 0.0004 Å
• b: 19.7579 ± 0.0011 Å
• c: 13.1996 ± 0.0007 Å
• α: 90°
• β: 103.53 ± 0.001°
• γ: 90°
• Cell volume: 2097.13 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No