Information card for entry 2232478

Structure parameters

• Chemical name: Tris(dicyclohexylammonium) hydrogen [1-hydroxy-2-(1<i>H</i>-imidazol-1-yl)-1-phosphonatoethane]phosphonate ethanol monosolvate monohydrate
• Formula: C43 H87 N5 O9 P2
• Calculated formula: C43 H86 N5 O9 P2
• Title of publication: Tris(dicyclohexylammonium) hydrogen [1-hydroxy-2-(1<i>H</i>-imidazol-1-yl)-1-phosphonatoethane]phosphonate ethanol monosolvate monohydrate
• Authors of publication: Sarkar, Anindita; Cukrowski, Ignacy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2980
• a: 14.2351 ± 0.0002 Å
• b: 14.301 ± 0.0003 Å
• c: 15.3021 ± 0.0003 Å
• α: 64.626 ± 0.001°
• β: 79.725 ± 0.001°
• γ: 60.96 ± 0.001°
• Cell volume: 2459.04 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes