Information card for entry 4311465

Structure parameters

• Formula: C60 H34 F12 N8 Ru2
• Calculated formula: C60 H34 F12 N8 Ru2
• SMILES: [Ru]1234([Ru](N(c5[n]1cccc5)c1c(F)cc(F)cc1F)(N(c1[n]2cccc1)c1c(F)cc(F)cc1F)(N(c1[n]3cccc1)c1c(F)cc(F)cc1F)([n]1ccccc1N4c1c(F)cc(F)cc1F)C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Synthesis, Structural, Spectroscopic, and Electrochemical Characterization of High Oxidation State Diruthenium Complexes Containing Four Identical Unsymmetrical Bridging Ligands
• Authors of publication: Karl M. Kadish; Tuan D. Phan; Li-Lun Wang; Lingamallu Giribabu; Antoine Thuriere; Julien Wellhoff; Shurong Huang; Eric Van Caemelbecke; John L. Bear
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4825 - 4832
• a: 11.0146 ± 0.0005 Å
• b: 19.7799 ± 0.0009 Å
• c: 24.1941 ± 0.0011 Å
• α: 90°
• β: 101.145 ± 0.001°
• γ: 90°
• Cell volume: 5171.7 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0276
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No