Information card for entry 7000012

Structure parameters

• Formula: C26 H36 Fe O3 Ru
• Calculated formula: C26 H36 Fe O3 Ru
• SMILES: [Ru]12345678([Fe]9%10%11%12%13(C#[O])([C]1(=[CH]2[CH]3=[C]49C(C)(C)O)C(C)(C)O)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[c]1([c]5([c]6([c]7([c]81C)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: 23.83 ± 0.003 Å
• b: 10.3363 ± 0.0017 Å
• c: 21.803 ± 0.002 Å
• α: 90°
• β: 116.766 ± 0.007°
• γ: 90°
• Cell volume: 4795 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0729
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No