Information card for entry 7003895

Structure parameters

• Formula: C12 H13 N5 O2
• Calculated formula: C12 H13 N5 O2
• Title of publication: 4,5-Di(2-pyridyl)-1,2,3-triazolate: the elusive member of a family of bridging ligands that facilitate strong metal‒metal interactions
• Authors of publication: Richardson, Chris; Fitchett, Christopher M.; Keene, F. Richard; Steel, Peter J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2534 - 2537
• a: 7.4884 ± 0.0003 Å
• b: 9.1666 ± 0.0003 Å
• c: 9.8501 ± 0.0003 Å
• α: 66.45 ± 0.002°
• β: 84.74 ± 0.002°
• γ: 76.235 ± 0.002°
• Cell volume: 602.02 ± 0.04 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No