Information card for entry 7000016

Structure parameters

• Formula: C23 H27 B F4 Fe O3 Ru
• Calculated formula: C23 H27 B F4 Fe O3 Ru
• SMILES: [Fe]123456([Ru]789%10%11(C1=O)(C#[O])([CH]2=[C]7=C(C)C)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61.[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: 9.2935 ± 0.0019 Å
• b: 9.918 ± 0.002 Å
• c: 13.163 ± 0.003 Å
• α: 90°
• β: 104.62 ± 0.03°
• γ: 90°
• Cell volume: 1174 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No