Information card for entry 7027311

Structure parameters

• Formula: C16 H13 Fe Mo O5 P
• Calculated formula: C16 H13 Fe Mo O5 P
• SMILES: [Mo]([PH2]C[c]12[cH]3[Fe]4567891([cH]1[cH]5[cH]9[cH]8[cH]71)[cH]3[cH]6[cH]24)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: (Ferrocenylmethyl)phosphine, an air-stable primary phosphine
• Authors of publication: Goodwin, Nicholas J.; Henderson, William; Nicholson, Brian K.; Fawcett, John; Russell, David R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 1785
• a: 7.4816 ± 0.0001 Å
• b: 10.4412 ± 0.0001 Å
• c: 11.5305 ± 0.0001 Å
• α: 90°
• β: 96.78 ± 0.001°
• γ: 90°
• Cell volume: 894.428 ± 0.017 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No