Information card for entry 7024132

Structure parameters

• Formula: C17 H16 N8
• Calculated formula: C17 H16 N8
• Title of publication: A multicomponent CuAAC "click" approach to a library of hybrid polydentate 2-pyridyl-1,2,3-triazole ligands: new building blocks for the generation of metallosupramolecular architectures.
• Authors of publication: Crowley, James D.; Bandeen, Pauline H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 612 - 623
• a: 32.377 ± 0.006 Å
• b: 4.4451 ± 0.0008 Å
• c: 11.1901 ± 0.0019 Å
• α: 90 ± 0°
• β: 105.681 ± 0.006°
• γ: 90 ± 0°
• Cell volume: 1550.5 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No