Information card for entry 7710013

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: 13.7971 ± 0.0006 Å
• b: 16.331 ± 0.0006 Å
• c: 16.4249 ± 0.0007 Å
• α: 90°
• β: 97.553 ± 0.001°
• γ: 90°
• Cell volume: 3668.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No