Information card for entry 1544809

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: 7.543 ± 0.001 Å
• b: 11.336 ± 0.002 Å
• c: 11.424 ± 0.002 Å
• α: 63.483 ± 0.003°
• β: 89.755 ± 0.004°
• γ: 88.763 ± 0.004°
• Cell volume: 873.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No