Information card for entry 4129097

Structure parameters

• Formula: C72 H36 B Cu F4 O12 P4
• Calculated formula: C72 H36 B Cu F4 O12 P4
• Title of publication: Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.
• Authors of publication: Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 12.0917 ± 0.0002 Å
• b: 14.0561 ± 0.0003 Å
• c: 34.6177 ± 0.0007 Å
• α: 90°
• β: 98.119 ± 0.001°
• γ: 90°
• Cell volume: 5824.7 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No