Information card for entry 7132693

Structure parameters

• Formula: C57 H46 Au Br Cl8 N2
• Calculated formula: C57 H46 Au Br Cl8 N2
• Title of publication: Synthesis and investigation of a <i>meta</i>[6]cycloparaphenylene gold(I) <i>N</i>-heterocyclic carbene complex.
• Authors of publication: Bernt, Felix; Leonhardt, Christopher M.; Schatz, Dominic; Wegner, Hermann A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 22
• Pages of publication: 3055 - 3058
• a: 10.2999 ± 0.0005 Å
• b: 14.4369 ± 0.0008 Å
• c: 17.7726 ± 0.0009 Å
• α: 90°
• β: 98.815 ± 0.002°
• γ: 90°
• Cell volume: 2611.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No