Information card for entry 2210643

Structure parameters

• Chemical name: [2-(Diphenylphosphino)phenyliminomethyl]ferrocene
• Formula: C29 H24 Fe N P
• Calculated formula: C29 H24 Fe N P
• SMILES: [Fe]12345678([c]9(/C=N/c%10c(P(c%11ccccc%11)c%11ccccc%11)cccc%10)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: [2-(Diphenylphosphino)phenyliminomethyl]ferrocene
• Authors of publication: Xiao-Lin Zhang; Ren-Yun Kuang; Qian-Yong Cao; Lai-Tao Luo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2491 - m2492
• a: 13.902 ± 0.003 Å
• b: 9.337 ± 0.0019 Å
• c: 35.815 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4648.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1725
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes