Information card for entry 4080595

Structure parameters

• Formula: C31 H30 Fe N P
• Calculated formula: C31 H30 Fe N P
• Title of publication: 1,2-Disubstituted Aryl-Based Ferrocenyl Phosphines
• Authors of publication: Madalska, Martyna; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 2019
• a: 9.4842 ± 0.0009 Å
• b: 12.8512 ± 0.0012 Å
• c: 22.654 ± 0.002 Å
• α: 81.326 ± 0.007°
• β: 82.564 ± 0.008°
• γ: 71.866 ± 0.009°
• Cell volume: 2584 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No