Information card for entry 4105166

Structure parameters

• Formula: C50.54 H50 F12 N10 O4 P2 Ru2
• Calculated formula: C50.518 H50 F12 N10 O4 P2 Ru2
• Title of publication: The Ru-Hbpp Water Oxidation Catalyst
• Authors of publication: Fernando Bozoglian; Sophie Romain; Mehmed Z. Ertem; Tanya K. Todorova; Cristina Sens; Joaquim Mola; Montserrat Rodríguez; Isabel Romero; Jordi Benet-Buchholz; Xavier Fontrodona; Christopher J. Cramer; Laura Gagliardi; Antoni Llobet
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15176 - 15187
• a: 13.416 ± 0.003 Å
• b: 13.731 ± 0.003 Å
• c: 15.84 ± 0.003 Å
• α: 66.45 ± 0.007°
• β: 81.445 ± 0.008°
• γ: 88.26 ± 0.008°
• Cell volume: 2643.8 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No