Information card for entry 4319640

Structure parameters

• Formula: C44 H32 Cl F4 N9 O Ru2
• Calculated formula: C44 H32 Cl F4 N9 O Ru2
• SMILES: [Ru]1234([Ru](N(c5[n]1cccc5)c1c(F)cccc1)(N(c1[n]2cccc1)c1c(F)cccc1)(N(c1[n]3cccc1)c1c(F)cccc1)([n]1ccccc1N4c1c(F)cccc1)N=O)Cl
• Title of publication: Syntheses, Structural Determination, and Electrochemistry of Ru2(Fap)4Cl and Ru2(Fap)4(NO)Cl
• Authors of publication: John L. Bear; Julien Wellhoff; Guy Royal; Eric Van Caemelbecke; Sonia Eapen; Karl M. Kadish
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2282 - 2286
• a: 10.0468 ± 0.0006 Å
• b: 18.8091 ± 0.001 Å
• c: 41.7615 ± 0.0023 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7891.7 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No