Information card for entry 4510981

Structure parameters

• Common name: Znic 2-(1H-imidazole-yl) propinate
• Formula: C12 H14 N4 O4 Zn
• Calculated formula: C12 H14 N4 O4 Zn
• Title of publication: Noncentrosymmetric and Homochiral Metal−Organic Frameworks of (S)-2-(1H-Imidazole1-yl) Propionic Acid
• Authors of publication: Zhang, Gao; Yao, Shi-Yan; Guo, Dong-Wei; Tian, Yun-Qi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2355
• a: 8.447 ± 0.0012 Å
• b: 12.5254 ± 0.0017 Å
• c: 13.3182 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1409.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0228
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No