Information card for entry 4108137

Structure parameters

• Common name: [(C2H5)4N][C(NH2)3][(C6H3)2(COOH)2(COO)]
• Formula: C50 H68 N8 O16
• Calculated formula: C50 H48 N8 O16
• Title of publication: Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers
• Authors of publication: Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 10315 - 10326
• a: 13.121 ± 0.004 Å
• b: 10.154 ± 0.003 Å
• c: 20.248 ± 0.006 Å
• α: 90°
• β: 95.209 ± 0.007°
• γ: 90°
• Cell volume: 2686.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No