Information card for entry 7049676

Structure parameters

• Formula: C54 H72 Au Cl6 F6 N6 P
• Calculated formula: C54 H72 Au Cl6 F6 N6 P
• 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: 13.2352 ± 0.0007 Å
• b: 10.8348 ± 0.0007 Å
• c: 22.2774 ± 0.0016 Å
• α: 90°
• β: 92.728 ± 0.002°
• γ: 90°
• Cell volume: 3191 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No