Information card for entry 4517397

Structure parameters

• Formula: C36 H18 B F4 N O6 P2
• Calculated formula: C36 H18 B F4 N O6 P2
• Title of publication: Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs
• Authors of publication: Alice Heskia; Thierry Maris; James D. Wuest
• Journal of publication: Cryst. Growth & Design
• Year of publication: 2020
• Journal volume: 20
• Pages of publication: 1319 - 1327
• a: 13.0119 ± 0.0004 Å
• b: 15.621 ± 0.0005 Å
• c: 14.9019 ± 0.0005 Å
• α: 90°
• β: 97.364 ± 0.002°
• γ: 90°
• Cell volume: 3003.96 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes