Information card for entry 7011049

Structure parameters

• Formula: C20 H24 Fe N2 O2
• Calculated formula: C20 H24 Fe N2 O2
• Title of publication: Formation of 1 ∶ 1 complexes of ferrocene-containing salen ligands with Mg, Ti and Zr
• Authors of publication: Alexandr Shafir; Dorothea Fiedler; John Arnold
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 555 - 560
• a: 9.5758 ± 0.0006 Å
• b: 22.837 ± 0.001 Å
• c: 9.6336 ± 0.0006 Å
• α: 90°
• β: 119.29 ± 0.001°
• γ: 90°
• Cell volume: 1837.37 ± 0.18 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 5
• 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: 0.085
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No