Information card for entry 7009728

Structure parameters

• Formula: C29 H24 Cl2 O5 Ru3
• Calculated formula: C29 H24 Cl2 O5 Ru3
• SMILES: [Ru]1234567([Ru]89%10%11%12%13%14([Ru]%15%16%17%18(C8=O)([C]%10(=[C]29c2ccccc2)C(=O)OC)([c]23[cH]4[cH]5[cH]6[cH]72)[cH]2[cH]%15[CH]%16[cH]%17[cH]%182)(C1=O)[cH]1[cH]%14[cH]%13[cH]%12[cH]%111)C#[O].ClCCl
• 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: 9.2578 ± 0.0019 Å
• b: 10.657 ± 0.002 Å
• c: 15.409 ± 0.003 Å
• α: 71.22 ± 0.03°
• β: 81.21 ± 0.03°
• γ: 82.32 ± 0.03°
• Cell volume: 1416.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No