Information card for entry 4126866

Structure parameters

• Formula: C46 H60 Fe N6 O4
• Calculated formula: C46 H60 Fe N6 O4
• Title of publication: Multistability at room temperature in a bent-shaped spin-crossover complex decorated with long alkyl chains.
• Authors of publication: Rosario-Amorin, Daniel; Dechambenoit, Pierre; Bentaleb, Ahmed; Rouzieres, Mathieu; Mathonière, Corine; Clérac, Rodolphe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 11.3454 ± 0.0007 Å
• b: 37.59 ± 0.003 Å
• c: 10.3499 ± 0.0007 Å
• α: 90°
• β: 97.905 ± 0.003°
• γ: 90°
• Cell volume: 4372 ± 0.5 ų
• Cell temperature: 220 ± 5 K
• Ambient diffraction temperature: 220 ± 5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No