Information card for entry 4515827

Structure parameters

• Formula: C55 H48 Ce N15 O26 Ru2
• Calculated formula: C55 H48 Ce N15 O26 Ru2
• Title of publication: The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation
• Authors of publication: Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 2039
• a: 17.9909 ± 0.0003 Å
• b: 22.189 ± 0.0004 Å
• c: 15.3463 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6126.24 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No