Information card for entry 7244031

Structure parameters

• Formula: C24 H48 B2 F8 N24 Ru
• Calculated formula: C24 H48 B2 F8 N24 Ru
• SMILES: [Ru]([n]1nnn(c1)CCC)([n]1nnn(c1)CCC)([n]1nnn(c1)CCC)([n]1nnn(c1)CCC)([n]1nnn(c1)CCC)[n]1nnn(c1)CCC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 11.7827 ± 0.0003 Å
• b: 10.88012 ± 0.00019 Å
• c: 16.3802 ± 0.0003 Å
• α: 90.9202 ± 0.0014°
• β: 99.0617 ± 0.0017°
• γ: 89.4706 ± 0.0017°
• Cell volume: 2073.37 ± 0.08 ų
• Cell temperature: 80 ± 0.5 K
• Ambient diffraction temperature: 80 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.2117
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No