Information card for entry 7000013

Structure parameters

• Formula: C30 H30 Fe O Ru
• Calculated formula: C30 H30 Fe O Ru
• SMILES: [Ru]1234567([Fe]89%10%11%12(C1=O)([C]2(=[C]38c1ccccc1)c1ccccc1)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• Title of publication: The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and convenient entries to its organometallic chemistry.
• Authors of publication: Dennett, James N. L.; Knox, Selby A. R.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Orpen, A. Guy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 63 - 73
• a: 9.582 ± 0.002 Å
• b: 15.326 ± 0.006 Å
• c: 16.814 ± 0.005 Å
• α: 96.657 ± 0.013°
• β: 90.07 ± 0.02°
• γ: 93.581 ± 0.012°
• Cell volume: 2447.7 ± 1.3 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: 0.1025
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No