Information card for entry 4076623

Structure parameters

• Formula: C22 H10 N4 O4 Ru2
• Calculated formula: C22 H10 N4 O4 Ru2
• SMILES: C(=C(C#N)C#N)([Ru]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O])C(=C(C#N)C#N)[Ru]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O]
• Title of publication: Carbon Chain Formation on Metallic Arrays. X-ray Structural Determinations of [Ru4(μ4-(CCC(CO2Me)C(CO2Me))(η-C5H4R)2(μ-CO)(CO)8], [{Ru(CO)2(η-C5H5)}2{μ-CCC(CO2Me)C(CO2Me)C(O)}], and [{Ru(CO)2(η-C5H5)2{μ-CC(CN)2CC(CN)2}] (R = H, Me)
• Authors of publication: Byrne, Lindsay T.; Hos, James P.; Koutsantonis, George A.; Sanford, Vanessa; Skelton, Brian W.; White, Allan H.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3147
• a: 8.3685 ± 0.0007 Å
• b: 7.8859 ± 0.0006 Å
• c: 16.355 ± 0.001 Å
• α: 90°
• β: 101.912 ± 0.001°
• γ: 90°
• Cell volume: 1056.08 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for all reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections: 1.341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.363
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No