Information card for entry 7009524

Structure parameters

• Formula: C22 H20 F6 O3 Ru2
• Calculated formula: C22 H20 F6 O3 Ru2
• SMILES: [Ru]123456([Ru]789%10(C(=C1C(F)(F)F)C(F)(F)F)([cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])C6=O)([c]1([c]2([c]3([c]4([c]51C)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: 8.784 ± 0.002 Å
• b: 8.853 ± 0.002 Å
• c: 16.052 ± 0.003 Å
• α: 77.99 ± 0.015°
• β: 83.95 ± 0.02°
• γ: 63.96 ± 0.02°
• Cell volume: 1096.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for all reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0435
• Goodness-of-fit parameter for all reflections: 0.934
• Goodness-of-fit parameter for significantly intense reflections: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No