Information card for entry 2206916

Structure parameters

• Formula: C15 H15 Cl3 N4 Zn
• Calculated formula: C15 H15 Cl3 N4 Zn
• SMILES: [Zn](Cl)(Cl)(Cl)[n]1c(Cn2c[n+](cc2)Cc2ncccc2)cccc1
• Title of publication: Trichloro[1,3-bis(2-pyridylmethyl)imidazolium]zinc(II)
• Authors of publication: Wan, Xiang-Jian; Xu, Feng-Bo; Li, Qing-Shan; Song, Hai-Bin; Zhang, Zheng-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2174 - m2175
• a: 8.3222 ± 0.0012 Å
• b: 13.3871 ± 0.0018 Å
• c: 15.977 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1780 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes