Information card for entry 2201681

Structure parameters

• Formula: C8 H8 Cl4 N4 Zn
• Calculated formula: C8 H8 Cl4 N4 Zn
• SMILES: c12cc3c(cc2[nH+]c[nH]1)[nH+]c[nH]3.Cl[Zn](Cl)([Cl-])[Cl-]
• Title of publication: The complex salt benzodiimidazolium tetrachlorozincate
• Authors of publication: Chen-Xin Cai; Li Xu; Yun-Qi Tian; Xiao-Zeng You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m399 - m401
• a: 8.719 ± 0.002 Å
• b: 9.276 ± 0.002 Å
• c: 15.226 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1231.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes