Information card for entry 8105934

Structure parameters

• Formula: C47 H43 Fe2 N5 O10
• Calculated formula: C47 H43 Fe2 N5 O10
• SMILES: [Fe]123([N](c4c([N]1=Cc1ccc(OC)cc1O2)cccc4)=Cc1c(O3)cc(OC)cc1)O[Fe]123Oc4c(C=[N]1c1c([N]3=Cc3ccc(OC)cc3O2)cccc1)ccc(OC)c4.N(C)(C)C=O
• Title of publication: Crystal structure of (μ2-oxido)-bis(N,N′-o-phenylenebis(salicylideneiminato))diiron(III) — N,N′-dimethylformamide, C47H43Fe2N4O9
• Authors of publication: Ya, Li; Xiangqing, Fang; Junyi, Liu; Chi, Dong; Liguo, Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1051 - 1053
• a: 24.6961 ± 0.0008 Å
• b: 14.0952 ± 0.0005 Å
• c: 24.696 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8596.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No