Information card for entry 2211188

Structure parameters

• Chemical name: {N,N-Bis[(1-methylimidazole-2-yl)methyl]formamide}dichlorozinc(II)
• Formula: C11 H15 Cl2 N5 O Zn
• Calculated formula: C11 H15 Cl2 N5 O Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(n(cc2)C)CN(Cc2[n]1ccn2C)C=O
• Title of publication: {<i>N</i>,<i>N</i>-Bis[(1-methylimidazole-2-yl)methyl]formamide}dichlorozinc(II)
• Authors of publication: Jing-Jia Sun; Shi-Ping Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3144 - m3145
• a: 12.475 ± 0.0011 Å
• b: 8.0615 ± 0.0007 Å
• c: 15.1166 ± 0.0013 Å
• α: 90°
• β: 98.69 ± 0.002°
• γ: 90°
• Cell volume: 1502.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes