Information card for entry 7251270

Structure parameters

• Formula: C38 H38 B2 Cu F8 N12 O2
• Calculated formula: C38 H38 B2 Cu F8 N12 O2
• 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: 9.9469 ± 0.0004 Å
• b: 15.0114 ± 0.0006 Å
• c: 15.5126 ± 0.0006 Å
• α: 71.776 ± 0.001°
• β: 88.392 ± 0.001°
• γ: 81.732 ± 0.002°
• Cell volume: 2176.89 ± 0.15 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: 0.0471
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No