Information card for entry 8105566

Structure parameters

• Formula: C24 H22 Cl Fe N8 O8
• Calculated formula: C24 H22 Cl Fe N8 O8
• SMILES: [Fe]1234(Oc5c(C=[N]4Nc4nccc[n]34)cccc5OC)Oc3c(C=[N]2Nc2nccc[n]12)cccc3OC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Crystal structure of bis(2-methoxy-6-((2-(pyrimidin-2-yl)hydrazono)methyl)phenolato-κ3 N,N′,O)iron(III) perchlorate, C24H22N8O8ClFe
• Authors of publication: Song, Jun-Ying; Wang, Zi-Chuang; Zhang, Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 133 - 135
• a: 10.4568 ± 0.0004 Å
• b: 10.5977 ± 0.0004 Å
• c: 12.0793 ± 0.0006 Å
• α: 82.119 ± 0.004°
• β: 83.277 ± 0.004°
• γ: 87.206 ± 0.003°
• Cell volume: 1316.12 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173.15 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: 0.0647
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No