Information card for entry 7711018

Structure parameters

• Formula: C74 H63 Cu N2 O2
• Calculated formula: C74 H63 Cu N2 O2
• Title of publication: Improved synthetic routes to N-heterocyclic carbene-metal-diketonato complexes of gold and copper
• Authors of publication: Ibni Hashim, Ishfaq; Tzouras, Nikolaos V.; Ma, Xinyuan; Bourda, Laurens; Van Hecke, Kristof; Nolan, Steven P.; Cazin, Catherine S. J.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.4417 ± 0.0001 Å
• b: 18.3074 ± 0.0001 Å
• c: 34.0176 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11485 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No