Information card for entry 4314881

Structure parameters

• Formula: C45.17 H36.75 F12 N9.58 P2 Ru S6
• Calculated formula: C45.1667 H36.75 F12 N9.58333 P2 Ru S6
• Title of publication: TTF-Annulated Phenanthroline and Unexpected Oxidative Cleavage of the C=C Bond in Its Ruthenium(II) Complex
• Authors of publication: Lawrence K. Keniley; Lipika Ray; Kirill Kovnir; Logan A. Dellinger; Jordan M. Hoyt; Michael Shatruk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1307 - 1309
• a: 22.57 ± 0.02 Å
• b: 22.54 ± 0.02 Å
• c: 32.53 ± 0.03 Å
• α: 90°
• β: 92.074 ± 0.014°
• γ: 90°
• Cell volume: 16538 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.167
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No