Information card for entry 2013538

Structure parameters

• Common name: Tris(μ~2~-chloro)-bis(tripod)-diruthenium(II) hexafluorophosphate ethanol solvate
• Chemical name: Tri-μ-chloro-bis{[1,1,1-tris(diphenylphosphinomethyl)ethane- κ^3^P,P',P'']ruthenium(II)} hexafluorophosphate ethanol solvate
• Formula: C84 H84 Cl3 F6 O P7 Ru2
• Calculated formula: C84 H84 Cl3 F6 O P7 Ru2
• SMILES: [Ru]12([Cl]3)([Cl]4)([P](CC(C)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Cl][Ru]1234[P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].OCC
• Title of publication: A trichloro-bridged binuclear ruthenium complex with 1,1,1-tris(diphenylphosphinomethyl)ethane
• Authors of publication: Seok, Won K.; Zhang, Li J.; Karaghiosoff, Konstantin; Klapötke, Thomas M.; Mayer, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m439 - m441
• a: 13.069 ± 0.003 Å
• b: 25.602 ± 0.005 Å
• c: 22.991 ± 0.005 Å
• α: 90°
• β: 92.66 ± 0.03°
• γ: 90°
• Cell volume: 7684 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes