Information card for entry 2201543

Structure parameters

• Chemical name: Dichloro(dimethylformamide)[2-hydroxy-5-nitro-N-(8- quinolyl)salicylaldiminato]iron(III)
• Formula: C19 H17 Cl2 Fe N4 O4
• Calculated formula: C19 H17 Cl2 Fe N4 O4
• SMILES: [Fe]12(Cl)(Cl)([O]=CN(C)C)Oc3c(C=[N]1c1c4[n]2cccc4ccc1)cc(N(=O)=O)cc3
• Title of publication: Dichloro(dimethylformamide)[2-hydroxy-5-nitro-<i>N</i>-(8-quinolyl)salicylaldiminato]iron(III)
• Authors of publication: Xie, Jing-Li; Tong, Wen-Jun; Zou, Yang; Ren, Xiao-Ming; Li, Yi-Zhi; Meng, Qing-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m334 - m336
• a: 9.205 ± 0.002 Å
• b: 10.372 ± 0.002 Å
• c: 10.989 ± 0.002 Å
• α: 81.831 ± 0.004°
• β: 87.033 ± 0.004°
• γ: 80.405 ± 0.004°
• Cell volume: 1023.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1233
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes