Information card for entry 4342041

Structure parameters

• Formula: C32 H20 Fe N6 O6
• Calculated formula: C32 H20 Fe N6 O6
• SMILES: c1ccc2c3c([N]4[Fe]56([n]13)(Oc1c(cc(N(=O)=O)cc1)C=[N]6c1c3c(ccc[n]53)ccc1)Oc1c(C=4)cc(N(=O)=O)cc1)ccc2
• 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: 19.2422 ± 0.0013 Å
• b: 10.4155 ± 0.0009 Å
• c: 12.9086 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2587.1 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No