Information card for entry 7715085

Structure parameters

• Formula: C41 H34 Au Cl N2
• Calculated formula: C41 H34 Au Cl N2
• SMILES: [Au](Cl)=C1N(N(C)c2c1cccc2)c1c(cc(C)cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
• Title of publication: Indazolin-3-ylidenes (Indy*): easily accessible, sterically-hindered indazole-derived N-heterocyclic carbenes and their application in gold catalysis.
• Authors of publication: Zhang, Jin; Liu, Ting; Zhang, Gaopeng; Cai, Jianglong; Wang, Yue; Tong, Jianbo; Ma, Yangmin; Szostak, Roman; Szostak, Michal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4260 - 4265
• a: 9.6522 ± 0.0015 Å
• b: 17.489 ± 0.003 Å
• c: 20.153 ± 0.003 Å
• α: 90°
• β: 96.606 ± 0.005°
• γ: 90°
• Cell volume: 3379.4 ± 0.9 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No