Information card for entry 7227701

Structure parameters

• Formula: C10 H9 Hg N3 O2
• Calculated formula: C10 H9 Hg N3 O2
• Title of publication: Direct C-metallation of N-substituted triazoles promoted by mercury acetate. An alternative route to N-heterocyclic carbene complexes
• Authors of publication: Lin, Nai-Chieh; Syu, Herbert J. H.; Naziruddin, Abbas Raja; Liu, Fu-Chen; Lin, Ivan J. B.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 19
• Pages of publication: 11652
• a: 4.3353 ± 0.0009 Å
• b: 10.658 ± 0.002 Å
• c: 12.488 ± 0.003 Å
• α: 106.28 ± 0.03°
• β: 93.9 ± 0.03°
• γ: 95.4 ± 0.03°
• Cell volume: 548.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No