Information card for entry 2215219

Structure parameters

• Chemical name: (1<i>R</i>,2<i>R</i>)/(1<i>S</i>,2<i>S</i>)-1,2-\ Bis(2-hydroxyphenyl)ethylenediammonium dibromide monohydrate
• Formula: C14 H20 Br2 N2 O3
• Calculated formula: C14 H18 Br2 N2 O2.999
• Title of publication: (1<i>R</i>,2<i>R</i>)/(1<i>S</i>,2<i>S</i>)-1,2-Bis(2-hydroxyphenyl)ethylenediammonium dibromide monohydrate
• Authors of publication: Kim, Hae-Jo; Lough, Alan J.; Chin, Jik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3901 - o3901
• a: 5.4499 ± 0.0005 Å
• b: 16.883 ± 0.002 Å
• c: 20.042 ± 0.002 Å
• α: 90°
• β: 95.321 ± 0.008°
• γ: 90°
• Cell volume: 1836.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes