Information card for entry 7017345

Structure parameters

• Formula: C102 H84 Fe4 N24 O15
• Calculated formula: C102 H84 Fe4 N24 O15
• 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: 28.6227 ± 0.0009 Å
• b: 21.775 ± 0.0007 Å
• c: 8.285 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5163.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No