Information card for entry 7121626

Structure parameters

• Formula: C82 H79 Au3 Cl0.25 N2 O P3
• Calculated formula: C82 H79 Au3 Cl N2 O P3
• Title of publication: A tritopic carbanionic N-heterocyclic dicarbene and its homo- and heterometallic coinage metal complexes.
• Authors of publication: Zhang, Fan; Cao, Xiao-Ming; Wang, Jiwei; Jiao, Jiajun; Huang, Yongming; Shi, Min; Braunstein, Pierre; Zhang, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 5736 - 5739
• a: 13.9827 ± 0.0009 Å
• b: 14.8116 ± 0.0011 Å
• c: 36.774 ± 0.002 Å
• α: 90°
• β: 90.166 ± 0.003°
• γ: 90°
• Cell volume: 7616.1 ± 0.9 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 7
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No