Information card for entry 4022239

Structure parameters

• Formula: C28 H23 Fe P
• Calculated formula: C28 H23 Fe P
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[c]6([c]7([P](c2ccccc2)c2ccccc2)[cH]81)c1ccccc1
• Title of publication: Synthesis and Application of Arylmonophosphinoferrocene Ligands: Ultrafast Asymmetric Hydrosilylation of Styrene
• Authors of publication: Henriette Lodberg Pedersen; Mogens Johannsen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 67
• Pages of publication: 7982 - 7994
• a: 9.332 ± 0.002 Å
• b: 11.638 ± 0.002 Å
• c: 10.114 ± 0.002 Å
• α: 90°
• β: 106.22 ± 0.03°
• γ: 90°
• Cell volume: 1054.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.1006
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for significantly intense reflections: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No