Information card for entry 4348678

Structure parameters

• Formula: C36 H46 Fe N4
• Calculated formula: C36 H46 Fe N4
• SMILES: [Fe]12(N(Cc3[n]1cccc3)c1c(C(C)C)cccc1C(C)C)N(Cc1[n]2cccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Ising-type Magnetic Anisotropy and Slow Relaxation of the Magnetization in Four-Coordinate Amido-Pyridine Fe^II Complexes.
• Authors of publication: Werncke, C. Gunnar; Bouammali, Mohammed-Amine; Baumard, Julie; Suaud, Nicolas; Martins, Cyril; Guihéry, Nathalie; Vendier, Laure; Zheng, Jianxia; Sortais, Jean-Baptiste; Darcel, Christophe; Sabo-Etienne, Sylviane; Sutter, Jean-Pascal; Bontemps, Sébastien; Pichon, Céline
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 10968 - 10977
• a: 9.5481 ± 0.0003 Å
• b: 16.8873 ± 0.0004 Å
• c: 11.0965 ± 0.0003 Å
• α: 90°
• β: 114.067 ± 0.001°
• γ: 90°
• Cell volume: 1633.68 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No