Information card for entry 2231104

Structure parameters

• Chemical name: Bis(acetonitrile-κ<i>N</i>)dichlorido(η^4^-cycloocta-1,5-diene)ruthenium(II) acetonitrile monosolvate
• Formula: C14 H21 Cl2 N3 Ru
• Calculated formula: C14 H21 Cl2 N3 Ru
• SMILES: [Ru]123(Cl)(Cl)([N]#CC)([N]#CC)[CH]4CC[CH]1=[CH]2CC[CH]3=4.N#CC
• Title of publication: Bis(acetonitrile-κ<i>N</i>)dichlorido(η^4^-cycloocta-1,5-diene)ruthenium(II) acetonitrile monosolvate
• Authors of publication: Chiririwa, Haleden; Meijboom, Reinout; Owalude, Samson O.; Eke, Uche B.; Arderne, Charmaine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1096
• a: 8.7033 ± 0.0003 Å
• b: 7.2434 ± 0.0003 Å
• c: 26.4178 ± 0.001 Å
• α: 90°
• β: 95.903 ± 0.001°
• γ: 90°
• Cell volume: 1656.59 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0245
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes