Information card for entry 7027310

Structure parameters

• Formula: C20 H13 Fe O9 P Ru3
• Calculated formula: C20 H13 Fe O9 P Ru3
• SMILES: [Ru]1234([Ru]5([H]3)([Ru]1([H]4)([P]25C[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])(C#[O])(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: 9.961 ± 0.001 Å
• b: 15.506 ± 0.003 Å
• c: 16.496 ± 0.002 Å
• α: 83.96 ± 0.01°
• β: 88.72 ± 0.01°
• γ: 80.79 ± 0.01°
• Cell volume: 2501 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0263
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No