Information card for entry 7248818

Structure parameters

• Formula: C42 H46 B2 Cu F8 N10 O2
• Calculated formula: C42 H46 B2 Cu F8 N10 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: 9.0724 ± 0.0007 Å
• b: 9.8173 ± 0.0007 Å
• c: 14.3397 ± 0.0009 Å
• α: 75.963 ± 0.006°
• β: 71.693 ± 0.006°
• γ: 71.238 ± 0.007°
• Cell volume: 1133.8 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No