Information card for entry 4510983

Structure parameters

• Common name: manganese 2-(1H-imidazole-yl) propinate
• Formula: C12 H14 Mn N4 O4
• Calculated formula: C12 H14 Mn N4 O4
• 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: 15.215 ± 0.002 Å
• b: 5.0455 ± 0.0007 Å
• c: 16.937 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1300.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No