Information card for entry 7008895

Structure parameters

• Formula: C58 H42 O8 P2 Ru3
• Calculated formula: C58 H42 O8 P2 Ru3
• SMILES: [Ru]12([OH][Ru]([C]13=[C](=C(c1ccccc1)c1ccccc1)[Ru]3(C#[O])(C#[O])(C#[O])[H]2)(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation and structural characterisation of some ruthenium cluster carbonyls containing allenylidene ligands †
• Authors of publication: Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 881
• a: 10.66 ± 0.001 Å
• b: 14.393 ± 0.004 Å
• c: 34.288 ± 0.011 Å
• α: 90°
• β: 95.38 ± 0.02°
• γ: 90°
• Cell volume: 5238 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for all reflections: 1.528
• Goodness-of-fit parameter for significantly intense reflections: 1.778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No