Information card for entry 7048667

Structure parameters

• Formula: C45 H58 Au B F4 N8 O
• Calculated formula: C45 H58 Au B F4 N8 O
• Title of publication: Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.
• Authors of publication: Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1850 - 1858
• a: 16.7838 ± 0.0002 Å
• b: 13.048 ± 0.0001 Å
• c: 20.4063 ± 0.0002 Å
• α: 90°
• β: 91.259 ± 0.001°
• γ: 90°
• Cell volume: 4467.8 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No