Information card for entry 7049679

Structure parameters

• Formula: C26 H34 Cu I2 N3
• Calculated formula: C26 H34 Cu I2 N3
• Title of publication: 4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.
• Authors of publication: Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 20
• Pages of publication: 6931 - 6941
• a: 9.681 ± 0.0007 Å
• b: 22.4092 ± 0.0015 Å
• c: 14.0787 ± 0.0009 Å
• α: 90°
• β: 106.066 ± 0.002°
• γ: 90°
• Cell volume: 2935 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.01 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No