Information card for entry 4346297

Structure parameters

• Formula: C26 H20 Fe K N2 O5
• Calculated formula: C26 H20 Fe K N2 O5
• Title of publication: Experimental and Theoretical Investigations of Magnetic Exchange Pathways in Structurally Diverse Iron(III) Schiff-Base Complexes.
• Authors of publication: Herchel, Radovan; Nemec, Ivan; Machata, Marek; Trávníček, Zdeněk
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8625 - 8638
• a: 12.494 ± 0.0006 Å
• b: 17.8349 ± 0.0009 Å
• c: 10.0392 ± 0.0006 Å
• α: 90°
• β: 93.817 ± 0.005°
• γ: 90°
• Cell volume: 2232.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No