Information card for entry 4320551

Structure parameters

• Common name: 4-Pyridylacetonitrile Pentaammineruthenium(II)
• Formula: C14 H38 Cl4 N14 O18 Ru2
• Calculated formula: C14 H40 Cl4 N14 O18 Ru2
• SMILES: C(C(=C(\C#[N][Ru]([NH3])([NH3])([NH3])([NH3])[NH3])c1ccncc1)\c1ccncc1)#[N][Ru]([NH3])([NH3])([NH3])([NH3])[NH3].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Oxidative Dehydrogenation on the α-Carbon of 4-Pyridylacetonitrile Complexes of Pentaammineruthenium(II)
• Authors of publication: Scot Liu; Sheena Lee; Sabina Wang; Andrew Yeh; Han-Mou Gau; Ming-Yuan Shao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6139 - 6143
• a: 13.7138 ± 0.0016 Å
• b: 15.7553 ± 0.0018 Å
• c: 17.831 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3852.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No