Information card for entry 4346296

Structure parameters

• Formula: C51 H43 Fe2 N5 O10
• Calculated formula: C51 H43 Fe2 N5 O10
• 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: 12.9916 ± 0.0003 Å
• b: 20.2079 ± 0.0006 Å
• c: 20.0079 ± 0.0006 Å
• α: 90°
• β: 124.567 ± 0.002°
• γ: 90°
• Cell volume: 4325.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No