Information card for entry 7251271

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: 7.5279 ± 0.0003 Å
• b: 10.0007 ± 0.0004 Å
• c: 15.0093 ± 0.0005 Å
• α: 87.693 ± 0.001°
• β: 80.356 ± 0.001°
• γ: 82.071 ± 0.001°
• Cell volume: 1103.18 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No