Information card for entry 2222381

Structure parameters

• Chemical name: Dichlorido[1-(8-quinolyliminomethyl)-2-naphtholato]iron(III)
• Formula: C20 H13 Cl2 Fe N2 O
• Calculated formula: C20 H13 Cl2 Fe N2 O
• SMILES: [Fe]12([n]3cccc4cccc(c34)[N]1=Cc1c(ccc3ccccc13)O2)(Cl)Cl
• Title of publication: Dichlorido[1-(8-quinolyliminomethyl)-2-naphtholato]iron(III)
• Authors of publication: Urakami, Daisuke; Inoue, Katsuya; Hayami, Shinya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m800
• a: 7.6177 ± 0.0005 Å
• b: 18.5256 ± 0.0011 Å
• c: 12.2073 ± 0.0007 Å
• α: 90°
• β: 91.1612 ± 0.0016°
• γ: 90°
• Cell volume: 1722.37 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes