Information card for entry 2005993

Structure parameters

• Chemical name: imidazole-4-acetic acid picric acid
• Formula: C11 H9 N5 O9
• Calculated formula: C11 H9 N5 O9
• Title of publication: Imidazole-4-acetic Acid‒Picric Acid (1/1) Complex
• Authors of publication: In, Y.; Nagata, H.; Doi, M.; Ishida, T.; Wakahara, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 367 - 369
• a: 15.096 ± 0.003 Å
• b: 15.381 ± 0.003 Å
• c: 13.373 ± 0.003 Å
• α: 90°
• β: 116.431 ± 0.015°
• γ: 90°
• Cell volume: 2780.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.1761
• Weighted residual factors for significantly intense reflections: 0.1375
• Goodness-of-fit parameter for all reflections: 0.986
• Goodness-of-fit parameter for significantly intense reflections: 1.002
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No