Information card for entry 7002789

Structure parameters

• Formula: C66 H54 Fe3 N15 O6
• Calculated formula: C66 H54 Fe3 N15 O6
• Title of publication: Novel 1D chain Fe(III)-salen-like complexes involving anionic heterocyclic N-donor ligands. Synthesis, X-ray structure, magnetic, 57Fe Mössbauer, and biological activity studies
• Authors of publication: Herchel, Radovan; Šindelář, Zdeněk; Trávníček, Zdeněk; Zbořil, Radek; Vančo, Ján
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9870 - 9880
• a: 17.0068 ± 0.0002 Å
• b: 19.5863 ± 0.0002 Å
• c: 17.7921 ± 0.0002 Å
• α: 90°
• β: 93.7974 ± 0.001°
• γ: 90°
• Cell volume: 5913.54 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No