Information card for entry 7209290

Structure parameters

• Common name: Imidazolium L-Tartrate
• Formula: C7 H10 N2 O6
• Calculated formula: C7 H10 N2 O6
• SMILES: [O-]C(=O)[C@H](O)[C@@H](O)C(=O)O.[nH]1cc[nH+]c1
• Title of publication: Bulk crystal growth and characterization of imidazolium l-tartrate (IMLT): a novel organic nonlinear optical material with a high laser-induced damage threshold
• Authors of publication: Ji, Chengmin; Chen, Tianliang; Sun, Zhihua; Ge, Yan; Lin, Wenxiong; Luo, Junhua; Shi, Qian; Hong, Maochun
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2157
• a: 7.577 ± 0.003 Å
• b: 6.894 ± 0.002 Å
• c: 8.927 ± 0.004 Å
• α: 90°
• β: 102.174 ± 0.005°
• γ: 90°
• Cell volume: 455.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No