Information card for entry 4348677

Structure parameters

• Formula: C30 H34 Fe N4
• Calculated formula: C30 H34 Fe N4
• SMILES: N1([Fe]2([n]3c(C1)cccc3)[n]1c(CN2c2c(C)cc(C)cc2C)cccc1)c1c(C)cc(cc1C)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: 15.4342 ± 0.0005 Å
• b: 8.3442 ± 0.0002 Å
• c: 20.5049 ± 0.0007 Å
• α: 90°
• β: 90.213 ± 0.001°
• γ: 90°
• Cell volume: 2640.73 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No