Information card for entry 7009523

Structure parameters

• Formula: C24 H26 O7 Ru2
• Calculated formula: C24 H26 O7 Ru2
• SMILES: [Ru]123456([Ru]789%10(C1=C(C(=O)OC)C(=O)OC)([cH]1[cH]7[cH]8[cH]9[cH]%101)(C6=O)C#[O])([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)C#[O]
• Title of publication: Transformation of dimethyl acetylenedicarboxylate to bis(methylcarboxylate)vinylidene at a diruthenium centre: unprecedented 1,2-migration of a CO2Me group
• Authors of publication: King, Philip J.; Knox, Selby A. R.; Legge, Matthew S.; Orpen, A. Guy; Wilkinson, Jon N.; Hill, E. Alexander
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 1547
• a: 8.5 ± 0.002 Å
• b: 14.877 ± 0.002 Å
• c: 18.743 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2370.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.0521
• Goodness-of-fit parameter for all reflections: 0.986
• Goodness-of-fit parameter for significantly intense reflections: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No