Information card for entry 1520524

Structure parameters

• Formula: C53 H69 N6 O25 P2 Ru
• Calculated formula: C53 H56 N6 O25 P2 Ru
• Title of publication: Water splitting with polyoxometalate-treated photoanodes: enhancing performance through sensitizer design
• Authors of publication: Fielden, John; Sumliner, Jordan M.; Han, Nannan; Geletii, Yurii V.; Xiang, Xu; Musaev, Djamaladdin G.; Lian, Tianquan; Hill, Craig L.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5531
• a: 21.3561 ± 0.0004 Å
• b: 19.4016 ± 0.0003 Å
• c: 14.9635 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6200.01 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No