Information card for entry 1519919

Structure parameters

• Formula: C16 H20 N5 O8
• Calculated formula: C16 H20 N5 O8
• Title of publication: tri-imidazolium di-malonate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 610
• a: 6.998 ± 0.0003 Å
• b: 8.379 ± 0.0003 Å
• c: 9.25 ± 0.0003 Å
• α: 116.302 ± 0.002°
• β: 101.825 ± 0.002°
• γ: 91.149 ± 0.002°
• Cell volume: 472.1 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No