Information card for entry 2236514

Structure parameters

• Chemical name: 3,5,3',5'-Tetramethyl-4,4'-bi(1<i>H</i>-pyrazolyl) hemihydrate
• Formula: C10 H15 N4 O0.5
• Calculated formula: C10 H15 N4 O0.5
• Title of publication: 3,5,3',5'-Tetramethyl-4,4'-bi(1<i>H</i>-pyrazolyl) hemihydrate
• Authors of publication: Jin, Shouwen; Huang, Yanfei; Fang, Hao; Wang, Tianyi; Ding, Liangliang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2896
• a: 24.906 ± 0.0004 Å
• b: 24.906 Å
• c: 14.9684 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9285.03 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes