Information card for entry 4124230

Structure parameters

• Formula: C32 H40 Fe2 N24 Nb O4
• Calculated formula: C32 H40 Fe2 N24 Nb O4
• Title of publication: Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.
• Authors of publication: Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 27
• Pages of publication: 8795 - 8802
• a: 20.47 ± 0.004 Å
• b: 20.47 ± 0.004 Å
• c: 9.1 ± 0.1 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3813 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 2880000 kPa
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.2092
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No