Information card for entry 4126867

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: 10.912 ± 0.0005 Å
• b: 42.1096 ± 0.0019 Å
• c: 10.0118 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4600.4 ± 0.3 ų
• Cell temperature: 315 ± 5 K
• Ambient diffraction temperature: 315 ± 5 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No