Information card for entry 2214630

Structure parameters

• Chemical name: 2,2'-Ethylenedibenzimidazolium dichloride tetrahydrate
• Formula: C16 H24 Cl2 N4 O4
• Calculated formula: C16 H24 Cl2 N4 O4
• SMILES: c12ccccc1[nH+]c(CCc1[nH]c3c(cccc3)[nH+]1)[nH]2.O.O.O.O.[Cl-].[Cl-]
• Title of publication: 2,2'-Ethylenedibenzimidazolium dichloride tetrahydrate
• Authors of publication: Jun-Ming Yi; Yun-Qian Zhang; Sai-Feng Xue; Qian-Jiang Zhu; Zhu Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3578 - o3578
• a: 7.174 ± 0.006 Å
• b: 9.652 ± 0.008 Å
• c: 15.411 ± 0.013 Å
• α: 80.504 ± 0.008°
• β: 79.684 ± 0.009°
• γ: 68.52 ± 0.008°
• Cell volume: 971.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes