Information card for entry 7244027

Structure parameters

• Formula: C24 H48 B2 F8 Fe0.66 N24 Ru0.34
• Calculated formula: C24 H48 B2 F8 Fe0.659 N24 Ru0.341
• Title of publication: Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.
• Authors of publication: Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 2
• Pages of publication: 982 - 994
• a: 10.8269 ± 0.0005 Å
• b: 10.8269 ± 0.0005 Å
• c: 32.0261 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3251.2 ± 0.3 ų
• Cell temperature: 149.7 ± 0.5 K
• Ambient diffraction temperature: 149.7 ± 0.5 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: 0.0604
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No