Information card for entry 7710014

Structure parameters

• Formula: C25 H17 Cu1.5 F18 N2 O8
• Calculated formula: C25 H17 Cu1.5 F18 N2 O8
• Title of publication: Ferroelastic-like transition and solvents affect the magnetism of a copper–organic radical one-dimensional coordination polymer
• Authors of publication: Gao, Yan-Li; Nishihara, Sadafumi; Suzuki, Takashi; Umeo, Kazunori; Inoue, Katsuya; Kurmoo, Mohamedally
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.4878 ± 0.0009 Å
• b: 15.9674 ± 0.0011 Å
• c: 17.039 ± 0.0011 Å
• α: 90°
• β: 95.059 ± 0.002°
• γ: 90°
• Cell volume: 3655.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2785
• Weighted residual factors for all reflections included in the refinement: 0.307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No