Information card for entry 7045878

Structure parameters

• Chemical name: 2,4-Di(pyrazol-1-yl)-6H-1,3,5-triazine
• Formula: C9 H7 N7
• Calculated formula: C9 H7 N7
• Title of publication: Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.
• Authors of publication: Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 5269 - 5278
• a: 14.3972 ± 0.0008 Å
• b: 4.106 ± 0.0002 Å
• c: 16.4295 ± 0.0011 Å
• α: 90°
• β: 103.275 ± 0.007°
• γ: 90°
• Cell volume: 945.28 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No