Information card for entry 7248822

Structure parameters

• Formula: C40 H42 B2 Cu F8 N8 O
• Calculated formula: C40 H42 B2 Cu F8 N8 O
• Title of publication: Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system
• Authors of publication: Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 8.5831 ± 0.0009 Å
• b: 9.7612 ± 0.0011 Å
• c: 12.8928 ± 0.0011 Å
• α: 98.221 ± 0.008°
• β: 93.854 ± 0.008°
• γ: 107.301 ± 0.01°
• Cell volume: 1013.8 ± 0.19 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: 0.0703
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1025
• 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: Yes
• Has Fobs: No