Information card for entry 7027309

Structure parameters

• Formula: C26 H26 Fe2 Mo O4 P2
• Calculated formula: C26 H26 Fe2 Mo O4 P2
• SMILES: [PH2](C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)[Mo](C#[O])([PH2]C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(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: 20.626 ± 0.003 Å
• b: 10.426 ± 0.002 Å
• c: 12.324 ± 0.001 Å
• α: 90°
• β: 90.95 ± 0.01°
• γ: 90°
• Cell volume: 2649.9 ± 0.7 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 6
• 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: 0.1255
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections: 0.1495
• Weighted residual factors for significantly intense reflections: 0.1237
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No