Information card for entry 7049685

Structure parameters

• Formula: C26 H34 Au I2 N3
• Calculated formula: C26 H34 Au 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: 9.631 ± 0.0007 Å
• b: 22.0962 ± 0.0014 Å
• c: 14.1496 ± 0.0008 Å
• α: 90°
• β: 104.327 ± 0.002°
• γ: 90°
• Cell volume: 2917.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0484
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No