Information card for entry 4306475

Structure parameters

• Common name: 05229
• Formula: C225 H134 B4 Cl2 F96 N12 Ru2
• Calculated formula: C225 H134 B4 Cl2 F96 N12 Ru2
• Title of publication: Concurrent Sensing of Benzene and Oxygen by a Crystalline Salt of Tris(5,6-dimethyl-1,10-phenanthroline)ruthenium(II)
• Authors of publication: Kari A. McGee; Brian J. Marquardt; Kent R. Mann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9143 - 9145
• a: 27.231 ± 0.002 Å
• b: 16.6067 ± 0.0014 Å
• c: 24.79 ± 0.002 Å
• α: 90°
• β: 93.714 ± 0.002°
• γ: 90°
• Cell volume: 11186.9 ± 1.5 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: 0.0791
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No