Information card for entry 7216277

Structure parameters

• Common name: imidazolium hydrogen malonate 2
• Formula: C6 H7 N2 O5.57
• Calculated formula: C6 H7 N2 O5.57
• Title of publication: Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids
• Authors of publication: Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 64
• Pages of publication: 358
• a: 7.231 ± 0.002 Å
• b: 8.296 ± 0.004 Å
• c: 9.235 ± 0.004 Å
• α: 115.97 ± 0.03°
• β: 102.84 ± 0.03°
• γ: 91.74 ± 0.03°
• Cell volume: 480.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.1053
• Weighted residual factors for significantly intense reflections: 0.2814
• Weighted residual factors for all reflections included in the refinement: 0.2902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No