Information card for entry 2237888

Structure parameters

• Chemical name: Tris(acetonitrile-κ<i>N</i>)dichlorido(triphenylphosphane-κ<i>P</i>)ruthenium(II) acetonitrile monosolvate
• Formula: C26 H27 Cl2 N4 P Ru
• Calculated formula: C26 H27 Cl2 N4 P Ru
• SMILES: [Ru](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([N]#CC)([N]#CC)[N]#CC.N#CC
• Title of publication: Tris(acetonitrile-κ<i>N</i>)dichlorido(triphenylphosphane-κ<i>P</i>)ruthenium(II) acetonitrile monosolvate
• Authors of publication: Yin, Xiao-Feng; Qin, Yi; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m340
• a: 15.1133 ± 0.0013 Å
• b: 13.9144 ± 0.0012 Å
• c: 13.3121 ± 0.0012 Å
• α: 90°
• β: 99.275 ± 0.002°
• γ: 90°
• Cell volume: 2762.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes