Information card for entry 4111865

Structure parameters

• Chemical name: 2(Et4N+)[C(NH2)3+][1,3,5-C6H3(COO-)3]6(H2O)
• Formula: C26 H60 N5 O12
• Calculated formula: C26 H60 N5 O12
• Title of publication: Hydrogen-Bonded Anionic Rosette Networks Assembled with Guanidinium and C3-Symmetric Oxoanion Building Blocks
• Authors of publication: Chi-Keung Lam; Feng Xue; Jie-Peng Zhang; Xiao-Ming Chen; Thomas C. W. Mak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 11536 - 11537
• a: 12.0977 ± 0.0009 Å
• b: 20.9279 ± 0.0015 Å
• c: 14.5969 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3695.6 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No