Information card for entry 7115249

Structure parameters

• Formula: C22 H32 Fe N2
• Calculated formula: C22 H32 Fe N2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C1CCN(C)CC1)[c]1([cH]8[cH]7[cH]6[cH]51)C1CCN(C)CC1
• Title of publication: Facile synthesis of amino-functionalised ferrocenes and vanadocenes
• Authors of publication: Bradley, Sam; McGowan, Patrick C.; Oughton, Karrie A.; Thornton-Pett, Mark; Walsh, Mark E.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 1
• Pages of publication: 77
• a: 7.1259 ± 0.0005 Å
• b: 10.7296 ± 0.001 Å
• c: 13.4298 ± 0.0011 Å
• α: 103.584 ± 0.008°
• β: 96.905 ± 0.007°
• γ: 101.691 ± 0.008°
• Cell volume: 962.08 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.0668
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No