Information card for entry 4076625

Structure parameters

• Formula: C29 H20 O13 Ru4
• Calculated formula: C29 H20 O13 Ru4
• SMILES: [Ru]123456([Ru]78([Ru]9%10%11(C#[O])(C#[O])(C#[O])[C]27=[C]9([Ru]279%12(C#[O])(C#[O])[c]%13([cH]%12[cH]9[cH]7[cH]2%13)C)[C]%10(C(=O)OC)=[C]8%11C(=O)OC)(C1=O)(C#[O])C#[O])(C#[O])[c]1([cH]3[cH]4[cH]5[cH]61)C
• 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: 9.6402 ± 0.0007 Å
• b: 11.5159 ± 0.0009 Å
• c: 14.7985 ± 0.0011 Å
• α: 80.74 ± 0.001°
• β: 76.015 ± 0.001°
• γ: 89.916 ± 0.001°
• Cell volume: 1572.2 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections: 0.996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No