Information card for entry 2218936

Structure parameters

• Chemical name: Dibromido[(<i>S</i>)-2-(pyrrolidin-2-yl)-1<i>H</i>-benzimidazole]zinc(II)
• Formula: C11 H13 Br2 N3 Zn
• Calculated formula: C11 H13 Br2 N3 Zn
• SMILES: Br[Zn]1(Br)[n]2c([nH]c3c2cccc3)C2[NH]1CCC2
• Title of publication: Dibromido[(<i>S</i>)-2-(pyrrolidin-2-yl)-1<i>H</i>-benzimidazole]zinc(II)
• Authors of publication: Dai, Wei; Fu, Da-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1016
• a: 8.953 ± 0.003 Å
• b: 11.668 ± 0.002 Å
• c: 13.318 ± 0.002 Å
• α: 90°
• β: 91.443 ± 0.003°
• γ: 90°
• Cell volume: 1390.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes