Information card for entry 2217169

Structure parameters

• Chemical name: (Methanolato)(pyridine)[N^2^,N^2'^-(pyridine-2,6- diyldicarbonyl)diacetohydrazide(2-)]iron(III) methanol solvate
• Formula: C18 H23 Fe N6 O6
• Calculated formula: C18 H23 Fe N6 O6
• SMILES: [Fe]1234([n]5c(C(=O)N1NC(=[O]3)C)cccc5C(=O)N2NC(=[O]4)C)([n]1ccccc1)OC.OC
• Title of publication: (Methanolato)(pyridine)[<i>N</i>^2^,<i>N</i>^2'^-(pyridine-2,6-diyldicarbonyl)diacetohydrazide(2‒)]iron(III) methanol solvate
• Authors of publication: Quan-Fu Cao; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m47 - m47
• a: 8.258 ± 0.01 Å
• b: 10.64 ± 0.14 Å
• c: 12.448 ± 0.018 Å
• α: 83.518 ± 0.003°
• β: 85.924 ± 0.003°
• γ: 77.176 ± 0.002°
• Cell volume: 1058 ± 14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes