Information card for entry 4347192

Structure parameters

• Formula: C30 H37 Cl F12 N6 O5.5 P2 Ru2 S3
• Calculated formula: C30 H37 Cl F12 N6 O5.5 P2 Ru2 S3
• 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: 25.1459 ± 0.0008 Å
• b: 20.2059 ± 0.0004 Å
• c: 17.8455 ± 0.0005 Å
• α: 90°
• β: 112.22 ± 0.002°
• γ: 90°
• Cell volume: 8393.9 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No