Information card for entry 7011048

Structure parameters

• Formula: C52 H74 Fe Mg N2 O5
• Calculated formula: C52 H74 Fe Mg N2 O5
• 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: 10.208 ± 0.0005 Å
• b: 24.114 ± 0.001 Å
• c: 20.3211 ± 0.0009 Å
• α: 90°
• β: 104.503 ± 0.001°
• γ: 90°
• Cell volume: 4842.8 ± 0.4 ų
• Cell temperature: 137.2 K
• Ambient diffraction temperature: 137.2 K
• Number of distinct elements: 6
• 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: 0.108
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No