Information card for entry 8104643

Structure parameters

• Chemical name: Dibromo-(1-methylimidazole)-(2-(3-methyl-1<i>H</i>-imidazol-3-ium-1-yl)\\ propionato-O)-zinc(II), C~11~H~16~Br~2~N~4~O~2~Zn
• Formula: C11 H16 Br2 N4 O2 Zn
• Calculated formula: C11 H16 Br2 N4 O2 Zn
• SMILES: Br[Zn](Br)([n]1ccn(C)c1)OC(=O)CC[n+]1ccn(C)c1
• Title of publication: Crystal structure of dibromido-(1-methyl-1H-imidazole-κ1 N)-(3-(3-methyl-1H-imidazol-3-ium-1-yl)propanoato-κ1 O)zinc(II), C11H16Br2N4O2Zn
• Authors of publication: Liu, Pengju; Wang, Zongwei; Guo, Libing; Tang, Junming
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 981 - 983
• a: 15.534 ± 0.007 Å
• b: 7.956 ± 0.004 Å
• c: 14.589 ± 0.007 Å
• α: 90°
• β: 119.094 ± 0.008°
• γ: 90°
• Cell volume: 1575.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No