Information card for entry 4347193

Structure parameters

• Formula: C49 H48 Br Cl F12 N10 O3 P2 Ru2
• Calculated formula: C49 H48 Br Cl F12 N10 O3 P2 Ru2
• Title of publication: Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.
• Authors of publication: Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2508 - 2521
• a: 14.123 ± 0.0008 Å
• b: 14.7595 ± 0.0009 Å
• c: 14.9169 ± 0.0009 Å
• α: 74.376 ± 0.005°
• β: 81.935 ± 0.005°
• γ: 63.706 ± 0.004°
• Cell volume: 2683.9 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No