Information card for entry 1518672

Structure parameters

• Formula: C27 H24 Cl5 F6 N5 O P2 Ru
• Calculated formula: C27 H24 Cl5 F6 N5 O P2 Ru
• SMILES: [Ru]123(Cl)([n]4ccccc4P(=O)(c4[n]1cccc4)c1[n]2cccc1)[n]1c(c2[n]3cccc2)cccc1.ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Rapid water oxidation electrocatalysis by a ruthenium complex of the tripodal ligand tris(2-pyridyl)phosphine oxide
• Authors of publication: Walden, Andrew G.; Miller, Alexander J. M.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2405
• a: 11.1445 ± 0.0001 Å
• b: 12.0548 ± 0.0001 Å
• c: 14.8726 ± 0.0002 Å
• α: 67.197 ± 0.006°
• β: 84.942 ± 0.006°
• γ: 67.025 ± 0.006°
• Cell volume: 1691.09 ± 0.12 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No