Information card for entry 2216993

Structure parameters

• Chemical name: <i>cis</i>‒<i>cis</i>‒<i>trans</i>-Bis(acetonitrile- κN)dichloridobis(triphenylphosphine-κP)ruthenium(II) acetonitrile disolvate
• Formula: C44 H42 Cl2 N4 P2 Ru
• Calculated formula: C44 H42 Cl2 N4 P2 Ru
• SMILES: [Ru]([N]#CC)([N]#CC)(Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC
• Title of publication: <i>cis</i>-<i>cis</i>-<i>trans</i>-Bis(acetonitrile-κ<i>N</i>)dichloridobis(triphenylphosphine-κ<i>P</i>)ruthenium(II) acetonitrile disolvate
• Authors of publication: Al-Far, Ahmad M.; Slaughter, LeGrande M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m184 - m184
• a: 9.0622 ± 0.0009 Å
• b: 18.0167 ± 0.0018 Å
• c: 25.628 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4184.3 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes