Information card for entry 2220430

Structure parameters

• Common name: Tris(pyrazolyl)-methane
• Chemical name: Tripyrazol-1-ylmethane
• Formula: C10 H10 N6
• Calculated formula: C10 H10 N6
• SMILES: n1(nccc1)C(n1nccc1)n1nccc1
• Title of publication: Trispyrazol-1-ylmethane
• Authors of publication: Kerscher, Tobias; Pust, Philipp; Betz, Richard; Klüfers, Peter; Mayer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o108
• a: 7.7216 ± 0.0009 Å
• b: 7.8946 ± 0.0006 Å
• c: 9.4143 ± 0.001 Å
• α: 99.292 ± 0.008°
• β: 100.023 ± 0.009°
• γ: 107.045 ± 0.009°
• Cell volume: 526.36 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes