Information card for entry 2204284

Structure parameters

• Formula: C11 H14 N4 O6
• Calculated formula: C11 H14 N4 O6
• Title of publication: Creatininium dipicolinate monohydrate
• Authors of publication: Moghimi, S. Abolghasem; Sharif, Mahboubeh A.; Aghabozorg, Hossein
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1790 - o1792
• a: 13.485 ± 0.003 Å
• b: 15.107 ± 0.003 Å
• c: 6.515 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1327.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes