Information card for entry 2218545

Structure parameters

• Chemical name: Bis[2-(butyliminomethyl)-4-chlorophenolato]iron(II)
• Formula: C22 H26 Cl2 Fe N2 O2
• Calculated formula: C22 H26 Cl2 Fe N2 O2
• SMILES: [Fe]12([N](=Cc3c(ccc(c3)Cl)O1)CCCC)[N](=Cc1c(ccc(c1)Cl)O2)CCCC
• Title of publication: Bis[2-(butyliminomethyl)-4-chlorophenolato]iron(II)
• Authors of publication: Xia, Dong-Sheng; Chen, Wu; Jiang, Li-Li; Zeng, Qing-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m837
• a: 10.059 ± 0.002 Å
• b: 10.1 ± 0.002 Å
• c: 11.569 ± 0.003 Å
• α: 97.093 ± 0.003°
• β: 90.8 ± 0.002°
• γ: 105.755 ± 0.003°
• Cell volume: 1121.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes