Information card for entry 4305746

Structure parameters

• Formula: C44 H38 F12 N10 O P2 Ru2
• Calculated formula: C44 H38 F12 N10 O P2 Ru2
• SMILES: [Ru]123([O]([Ru]45([n]6n1ccc6)([n]1ccccc1c1cccc[n]41)[n]1ccccc1c1cccc[n]51)C)([n]1ccccc1c1cccc[n]21)[n]1ccccc1c1cccc[n]31.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structure, and Electronic Properties of a Dimer of Ru(bpy)2 Doubly Bridged by Methoxide and Pyrazolate
• Authors of publication: Hershel Jude; Francisca N. Rein; Peter S. White; Dana M. Dattelbaum; Reginaldo C. Rocha
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7695 - 7702
• a: 13.3312 ± 0.0004 Å
• b: 22.5379 ± 0.0006 Å
• c: 17.2818 ± 0.0004 Å
• α: 90°
• β: 99.497 ± 0.002°
• γ: 90°
• Cell volume: 5121.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No