Information card for entry 8105195

Structure parameters

• Formula: C13 H16 N6
• Calculated formula: C13 H16 N6
• Title of publication: The crystal structure of tris(4-methyl-1H-pyrazol-1-yl)methane, C13H16N6
• Authors of publication: Wu, Gui-Ling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 253 - 254
• a: 16.097 ± 0.002 Å
• b: 9.8309 ± 0.0013 Å
• c: 17.349 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2745.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No