Information card for entry 8105686

Structure parameters

• Formula: C22 H18 Cl Fe N2 O4
• Calculated formula: C22 H18 Cl Fe N2 O4
• SMILES: [Fe]123(Cl)Oc4c(ccc(OC)c4)C=[N]2c2ccccc2[N]3=Cc2c(O1)cc(OC)cc2
• Title of publication: Crystal structure of chlorido-(6,6′-((1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(3-methoxyphenolato)-κ4 O,N,N′,O′)iron(III), C22H18ClN2FeO4
• Authors of publication: Cuihong, Zhang; Yuan, Ge; Xiaoping, Huo; Liguo, Yang; Xin, Li; Zongcheng, Miao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 475 - 476
• a: 7.0779 ± 0.0006 Å
• b: 19.0203 ± 0.0016 Å
• c: 14.7233 ± 0.0012 Å
• α: 90°
• β: 103.157 ± 0.001°
• γ: 90°
• Cell volume: 1930.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No