Information card for entry 7248812

Structure parameters

• Formula: C42 H48 B2 Cu F8 N8 O2
• Calculated formula: C42 H48 B2 Cu F8 N8 O2
• 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: 9.1101 ± 0.0003 Å
• b: 9.9335 ± 0.0004 Å
• c: 13.3316 ± 0.0006 Å
• α: 104.812 ± 0.004°
• β: 94.552 ± 0.003°
• γ: 104.842 ± 0.004°
• Cell volume: 1113.82 ± 0.08 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: 0.0557
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No