Information card for entry 2217517

Structure parameters

• Chemical name: [1,2-Bis(dimethylphosphino)ethane]carbonyl(η^5^-cyclopentadienyl)iron(II) diphenylphosphinoylborate
• Formula: C24 H34 B Fe O2 P3
• Calculated formula: C24 H34 B Fe O2 P3
• SMILES: [Fe]12345([P](CC[P]1(C)C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)C#[O].P(=O)(c1ccccc1)(c1ccccc1)[BH3-]
• Title of publication: [1,2-Bis(dimethylphosphino)ethane]carbonyl(η^5^-cyclopentadienyl)iron(II) diphenylphosphinoylborate
• Authors of publication: Lee, Kajin; Lough, Alan J.; Manners, Ian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m338 - m339
• a: 9.0244 ± 0.0005 Å
• b: 11.4671 ± 0.0004 Å
• c: 14.0568 ± 0.0007 Å
• α: 67.491 ± 0.003°
• β: 81.155 ± 0.002°
• γ: 71.497 ± 0.003°
• Cell volume: 1273.5 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes