Information card for entry 7107972

Structure parameters

• Formula: C20 H16 Br Cu N5 O3 Re
• Calculated formula: C20 H16 Br Cu N5 O3 Re
• Title of publication: Beyond click chemistry^ spontaneous C-triazolyl transfer from copper to rhenium and transformation into mesoionic C-triazolylidene carbene
• Authors of publication: Celedonio M. Alvarez; Luis A. Garcia-Escudero; Raul Garcia-Rodriguez; Daniel Miguel
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7209
• a: 8.833 ± 0.004 Å
• b: 9.312 ± 0.004 Å
• c: 14.44 ± 0.007 Å
• α: 71.824 ± 0.009°
• β: 77.963 ± 0.009°
• γ: 78.79 ± 0.01°
• Cell volume: 1092.9 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No