Information card for entry 4076173

Structure parameters

• Formula: C8 H24 Cl2 O4 Ru S4
• Calculated formula: C8 H24 Cl2 O4 Ru S4
• SMILES: [Ru](Cl)(Cl)([S](=O)(C)C)([S](=O)(C)C)([S](=O)(C)C)[O]=S(C)C
• Title of publication: Influence of Halide Ion and Lewis Acid in the Demetalation of a Spirolactam Cyclohexadienyl Ruthenium Complex
• Authors of publication: Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5424
• a: 8.899 ± 0.003 Å
• b: 17.9 ± 0.005 Å
• c: 11.32 ± 0.004 Å
• α: 90°
• β: 91.76 ± 0.03°
• γ: 90°
• Cell volume: 1802.3 ± 1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No