Information card for entry 4334351

Structure parameters

• Formula: C25 H19 F14 N5 O P2 Ru
• Calculated formula: C25 H19 F14 N5 O P2 Ru
• Title of publication: Mononuclear Ruthenium-Water Oxidation Catalysts: Discerning between Electronic and Hydrogen-Bonding Effects
• Authors of publication: Somnath Maji; Isidoro López; Fernando Bozoglian; J. Benet-Buchholz; Antoni Llobet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3591 - 3593
• a: 17.733 ± 0.0009 Å
• b: 10.5568 ± 0.0005 Å
• c: 15.4698 ± 0.0011 Å
• α: 90°
• β: 94.383 ± 0.002°
• γ: 90°
• Cell volume: 2887.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No