Information card for entry 4320705

Structure parameters

• Formula: C33 H25 Cl2 N5 O Os
• Calculated formula: C33 H23 Cl2 N5 O Os
• Title of publication: Regular and Inverse Secondary Kinetic Enthalpy Effects (KHE) for the Rate of Inversion of Thioether and 1,1'-Biisoquinoline Complexes of Ruthenium and Osmium
• Authors of publication: Michael T. Ashby; Susan S. Alguindigue; Justin D. Schwane; Tad A. Daniel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6643 - 6650
• a: 8.8259 ± 0.0009 Å
• b: 14.5443 ± 0.0012 Å
• c: 22.162 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2844.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No