Information card for entry 7009727

Structure parameters

• Formula: C23 H18 O5 Ru2
• Calculated formula: C23 H18 O5 Ru2
• SMILES: [Ru]123456([Ru]789%10%11(C#[O])([C]2(c2c(C1=O)cccc2)=[CH]7C(=O)OC)[cH]1[cH]%11[cH]%10[cH]9[cH]81)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Synthesis and reactivity of dimetallacyclopentenone complexes [Ru2(CO)(μ-CO){μ-C(O)CR1CR2}(η-C5H5)2] (R1 = Me or Ph; R2 = CO2Me)
• Authors of publication: King, Philip J.; Knox, Selby A. R.; McCormick, Gillian J.; Orpen, A. Guy
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 2975
• a: 14.461 ± 0.005 Å
• b: 9.755 ± 0.004 Å
• c: 15.217 ± 0.005 Å
• α: 90°
• β: 109.74 ± 0.03°
• γ: 90°
• Cell volume: 2020.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No