Information card for entry 7716334

Structure parameters

• Formula: C33 H42 Au N5 O
• Calculated formula: C33 H42 Au N5 O
• Title of publication: Synthesis of N-heterocyclic carbene (NHC)-Au/Ag/Cu benzotriazolyl complexes and their catalytic activity in propargylamide cycloisomerization and carbonyl hydrosilylation reactions
• Authors of publication: Kaplanai, Entzy; Tzouras, Nikolaos V.; Tsoureas, Nikolaos; Bracho, Nestor; Bhandary, Subhrajyoti; Van Hecke, Kristof; Nolan, Steven P.; Vougioukalakis, Georgios C.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.179 ± 0.0002 Å
• b: 9.1789 ± 0.0002 Å
• c: 21.4433 ± 0.0004 Å
• α: 86.47 ± 0.002°
• β: 79.752 ± 0.002°
• γ: 77.217 ± 0.002°
• Cell volume: 1544.48 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No