Information card for entry 7027308

Structure parameters

• Formula: C11 H13 Fe P
• Calculated formula: C11 H13 Fe P
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)CP)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 13.7111 ± 0.0009 Å
• b: 7.5225 ± 0.0005 Å
• c: 10.5662 ± 0.0007 Å
• α: 90°
• β: 107.448 ± 0.005°
• γ: 90°
• Cell volume: 1039.67 ± 0.12 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No