Information card for entry 2012999

Structure parameters

• Formula: C30 H36 Fe N3 O6
• Calculated formula: C30 H36 Fe N3 O6
• SMILES: [Fe]123(OC(=O)c4[n]1cc(cc4)CCCC)(OC(=O)c1[n]3cc(cc1)CCCC)OC(=O)c1[n]2cc(cc1)CCCC
• Title of publication: 5-<i>n</i>-Butylpyridine-2-carboxylate‒copper(II) and ‒iron(III) complexes
• Authors of publication: Okabe, Nobuo; Muranishi, Yasunori; Wada, Yoshio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m511 - m513
• a: 9.946 ± 0.005 Å
• b: 22.271 ± 0.005 Å
• c: 14.072 ± 0.004 Å
• α: 90°
• β: 98.4 ± 0.03°
• γ: 90°
• Cell volume: 3083.6 ± 1.9 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes