Information card for entry 7248805

Structure parameters

• Formula: C42 H48 B2 Cu F8 N8 O4
• Calculated formula: C42 H48 B2 Cu F8 N8 O4
• 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: 8.8391 ± 0.0005 Å
• b: 26.4003 ± 0.0012 Å
• c: 9.9765 ± 0.0005 Å
• α: 90°
• β: 106.136 ± 0.005°
• γ: 90°
• Cell volume: 2236.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No