Information card for entry 7000015

Structure parameters

• Formula: C20 H23 B F4 Fe O3 Ru
• Calculated formula: C20 H23 B F4 Fe O3 Ru
• SMILES: [Ru]1234567([Fe]89%10%11(C#[O])(C1=O)([CH]2=[CH2]3)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(C#[O])[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.[B](F)(F)(F)[F-]
• 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: 24.5308 ± 0.0002 Å
• b: 12.6289 ± 0.0002 Å
• c: 15.1524 ± 0.0001 Å
• α: 90°
• β: 114.912 ± 0.001°
• γ: 90°
• Cell volume: 4257.4 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No