Information card for entry 4517400

Structure parameters

• Formula: C36 H18 I N O6 P2
• Calculated formula: C36 H18 I 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: 21.7542 ± 0.0011 Å
• b: 21.1692 ± 0.0011 Å
• c: 14.5338 ± 0.0008 Å
• α: 90°
• β: 97.072 ± 0.003°
• γ: 90°
• Cell volume: 6642.2 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes