Information card for entry 2210252

Structure parameters

• Formula: C20 H26 As N5 O10
• Calculated formula: C20 H26 As N5 O10
• Title of publication: 2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidinium 4-hydroxy-3-nitrophenyl-arsonate monohydrate
• Authors of publication: Tian-Tian Pan; Bing-Xin Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2198 - m2199
• a: 8.1865 ± 0.0013 Å
• b: 20.9285 ± 0.0016 Å
• c: 28.304 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4849.4 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes