Information card for entry 2203385

Structure parameters

• Chemical name: Bis{μ-N-[(1-methylimidazol-2-yl)methyl]-β-alanine}bis[dichlorozinc(II)] dihydrate
• Formula: C16 H30 Cl4 N6 O6 Zn2
• Calculated formula: C16 H30 Cl4 N6 O6 Zn2
• SMILES: c12C[NH2+]CCC(=O)O[Zn]([n]3c(C[NH2+]CCC(=O)O[Zn]([n]2ccn1C)(Cl)Cl)n(C)cc3)(Cl)Cl.O.O
• Title of publication: Bis{μ-<i>N</i>-[(1-methylimidazol-2-yl)methyl]-β-alanine}bis[dichlorozinc(II)] dihydrate
• Authors of publication: Yang, Shi-Ping; Chen, Hong-Mei; Zhang, Fan; Chen, Qiong Qiong; Yu, Xi-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m465 - m467
• a: 8.729 ± 0.001 Å
• b: 9.267 ± 0.001 Å
• c: 16.942 ± 0.001 Å
• α: 90°
• β: 99.52 ± 0.02°
• γ: 90°
• Cell volume: 1351.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1494
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes