Information card for entry 2204025

Structure parameters

• Common name: tris(pyrazolyl)methane
• Chemical name: tris(pyrazol-1-yl)methane
• Formula: C10 H10 N6
• Calculated formula: C10 H10 N6
• SMILES: c1ccn(C(n2cccn2)n2cccn2)n1
• Title of publication: Tris(pyrazol-1-yl)methane (Tpm)
• Authors of publication: McLauchlan, Craig C.; Varda, Amy N.; Giles, Julian R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1419 - o1420
• a: 10.7882 ± 0.0005 Å
• b: 15.3791 ± 0.0009 Å
• c: 25.4634 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4224.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes