Information card for entry 7047088

Structure parameters

• Formula: C24 H21 Fe N O
• Calculated formula: C24 H21 Fe N O
• Title of publication: Ferrocene-based anilides: synthesis, structural characterization and inhibition of butyrylcholinesterase.
• Authors of publication: Altaf, Ataf Ali; Hamayun, Muhammad; Lal, Bhajan; Tahir, Muhammad Nawaz; Holder, Alvin A.; Badshah, Amin; Crans, Debbie C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 34
• Pages of publication: 11769 - 11781
• a: 5.8071 ± 0.0003 Å
• b: 23.944 ± 0.0012 Å
• c: 13.5031 ± 0.0009 Å
• α: 90°
• β: 101.921 ± 0.003°
• γ: 90°
• Cell volume: 1837.05 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No