Information card for entry 4346293

Structure parameters

• Formula: C120 H98 B2 Fe4 N8 O15
• Calculated formula: C120 H98 B2 Fe4 N8 O15
• 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: 16.5387 ± 0.0005 Å
• b: 17.7318 ± 0.0006 Å
• c: 18.5063 ± 0.0006 Å
• α: 94.28 ± 0.001°
• β: 105.18 ± 0.001°
• γ: 103.224 ± 0.001°
• Cell volume: 5046.4 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No