Information card for entry 7251273

Structure parameters

• Formula: C37 H34 B2 Cu F8 N12 O
• Calculated formula: C37 H34 B2 Cu F8 N12 O
• Title of publication: Stepwise single-crystal-to-single-crystal phase transition in copper-based coordination polymers triggered by solvent release
• Authors of publication: Guelfi, Massimo; Taddei, Marco; Bresciani, Giulio
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 7.7119 ± 0.0007 Å
• b: 9.8289 ± 0.0009 Å
• c: 27.118 ± 0.003 Å
• α: 94.875 ± 0.004°
• β: 94.077 ± 0.004°
• γ: 97.335 ± 0.003°
• Cell volume: 2024.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No