Information card for entry 7248815

Structure parameters

• Formula: C38.8 H40.4 Cu F4 N8.8 O5.6 Si2
• Calculated formula: C38.8 H40.4 Cu F4 N8.8 O5.6 Si2
• 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: 17.5681 ± 0.0007 Å
• b: 9.8878 ± 0.0003 Å
• c: 24.2057 ± 0.0009 Å
• α: 90°
• β: 96.253 ± 0.003°
• γ: 90°
• Cell volume: 4179.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No