Information card for entry 7020889

Structure parameters

• Formula: C26 H36 Cl2 Fe2 N6 O8
• Calculated formula: C26 H36 Cl2 Fe2 N6 O8
• SMILES: c12ccccc1C1=[N]3[Fe](O2)([O]=CN(C)C)([O]=CN(C)C)(Cl)OC2c4c(cccc4)O[Fe](Cl)([N]3=2)(O1)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: Structural, magnetic and optical properties of an Fe(III) dimer bridged by the meridional planar divergent N,N'-bis(salicyl)hydrazide and its photo- and electro-chemistry in solution.
• Authors of publication: Cheaib, Khaled; Martel, David; Clément, Nicolas; Eckes, Fabrice; Kouaho, Stéphanie; Rogez, Guillaume; Dagorne, Samuel; Kurmoo, Mohamedally; Choua, Sylvie; Welter, Richard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1406 - 1416
• a: 16.1661 ± 0.001 Å
• b: 9.4408 ± 0.001 Å
• c: 21.396 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3265.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1031
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No