Information card for entry 7017347

Structure parameters

• Formula: C30 H31 Fe N6 O4
• Calculated formula: C30 H31 Fe N6 O4
• Title of publication: Dinuclear and 1D iron(iii) Schiff base complexes bridged by 4-salicylideneamino-1,2,4-triazolate: X-ray structures and magnetic properties.
• Authors of publication: Herchel, Radovan; Pavelek, Lubomír; Trávníček, Zdeněk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11896 - 11903
• a: 9.4571 ± 0.0002 Å
• b: 16.3096 ± 0.0004 Å
• c: 17.6369 ± 0.0005 Å
• α: 90°
• β: 103.704 ± 0.003°
• γ: 90°
• Cell volume: 2642.9 ± 0.12 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: 0.0455
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No