Information card for entry 1544810

Structure parameters

• Formula: C14 H24 F6 Fe N24 O6 S2
• Calculated formula: C14 H24 F6 Fe N24 O6 S2
• Title of publication: Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.
• Authors of publication: Urtizberea, A.; Roubeau, O.
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 2290 - 2295
• a: 19.724 ± 0.004 Å
• b: 19.724 ± 0.004 Å
• c: 45.031 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15172 ± 5 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No