Information card for entry 4129095

Structure parameters

• Formula: C79 H44 Cu2 I2 O12 P4
• Calculated formula: C79 H44 Cu2 I2 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: 13.9038 ± 0.0007 Å
• b: 13.9038 ± 0.0007 Å
• c: 17.3483 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3353.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 84
• Hermann-Mauguin space group symbol: P 42/m
• Hall space group symbol: -P 4c
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No