Information card for entry 4124222

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: 21.6165 ± 0.0006 Å
• b: 21.6165 ± 0.0006 Å
• c: 9.5995 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4485.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 120000 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: 0.1265
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No