Information card for entry 4313033

Structure parameters

• Formula: C50 H36 Cl F12 N8 O2 Ru2
• Calculated formula: C50 H36 Cl F12 N8 O2 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(c1[n]4cccc1)c1c(F)cc(F)cc1F)Cl.O=C(C)C.O=C(C)C
• Title of publication: Factors Affecting the Electrochemical and Spectroelectrochemical Properties of Diruthenium(III,II) Complexes Containing Four Identical Unsymmetrical Bridging Ligands
• Authors of publication: Karl M. Kadish; Li-Lun Wang; Antoine Thuriere; Eric Van Caemelbecke; John L. Bear
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 834 - 843
• a: 11.8672 ± 0.0005 Å
• b: 34.2648 ± 0.0015 Å
• c: 11.9028 ± 0.0005 Å
• α: 90°
• β: 90.825 ± 0.001°
• γ: 90°
• Cell volume: 4839.5 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No