Information card for entry 7000011

Structure parameters

• Formula: C23 H28 Fe O4 Ru
• Calculated formula: C23 H28 Fe O4 Ru
• SMILES: [Fe]12345678([Ru]9%10%11%12(C#[O])(C1=O)([CH]2=[C]3(C4=O)C(C)(C)O)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 9.0302 ± 0.0012 Å
• b: 15.942 ± 0.003 Å
• c: 15.4674 ± 0.0018 Å
• α: 90°
• β: 91.577 ± 0.012°
• γ: 90°
• Cell volume: 2225.8 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No