Information card for entry 7720339

Structure parameters

• Formula: C87 H80 Au2 Br2 N4 O2
• Calculated formula: C87 H80 Au2 Br2 N4 O2
• Title of publication: IPr*BndiNHC – Sterically-Adaptable Benzyl-Linked Dinuclear N-Heterocyclic Carbenes
• Authors of publication: Halikowska-Tarasek, Katarzyna; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 10.0962 ± 0.0002 Å
• b: 21.1239 ± 0.0003 Å
• c: 34.7463 ± 0.0005 Å
• α: 90°
• β: 91.017 ± 0.001°
• γ: 90°
• Cell volume: 7409.2 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No