Information card for entry 4342039

Structure parameters

• Formula: C24 H16 Fe N6 O6
• Calculated formula: C24 H16 Fe N6 O6
• SMILES: c1cccc2[n]1[Fe]134([n]5ccccc5C=[N]1c1c(ccc(N(=O)=O)c1)O4)[N](=C2)c1c(ccc(N(=O)=O)c1)O3
• Title of publication: Fe(II)(pap-5NO2)2 and Fe(II)(qsal-5NO2)2 Schiff-Base Spin-Crossover Complexes: A Rare Example with Photomagnetism and Room-Temperature Bistability.
• Authors of publication: Iasco, Olga; Rivière, Eric; Guillot, Régis; Buron-Le Cointe, Marylise; Meunier, Jean-François; Bousseksou, Azzedine; Boillot, Marie-Laure
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1791 - 1799
• a: 23.267 ± 0.018 Å
• b: 8.902 ± 0.007 Å
• c: 11.967 ± 0.009 Å
• α: 90°
• β: 114.198 ± 0.013°
• γ: 90°
• Cell volume: 2261 ± 3 ų
• Cell temperature: 320 ± 2 K
• Ambient diffraction temperature: 320 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No