Information card for entry 8105163

Structure parameters

• Formula: C15 H15 Cl2 Fe N3 O4
• Calculated formula: C15 H15 Cl2 Fe N3 O4
• Title of publication: Crystal structure of aqua-dichlorido-(4-(((3-ethoxy-2-oxidobenzylidene)hydrazono)(oxido)methyl)pyridin-1-ium-κ3 N,O,O′)iron(III), C15H16Cl2N3O4Fe
• Authors of publication: Liguo, Yang; Zhen, Zhang; Yongsheng, Niu; Fang, Wang; Dayong, Tian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 535 - 537
• a: 8.7419 ± 0.0015 Å
• b: 22.717 ± 0.004 Å
• c: 9.6256 ± 0.0016 Å
• α: 90°
• β: 112.546 ± 0.002°
• γ: 90°
• Cell volume: 1765.4 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No