Information card for entry 7048663

Structure parameters

• Formula: C23 H28.63 Au0.37 B0.63 Cl0.37 F2.51 N2
• Calculated formula: C23 H28.629 Au0.371 B0.629 Cl0.371 F2.516 N2
• 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: 10.6937 ± 0.0004 Å
• b: 13.6965 ± 0.0005 Å
• c: 14.728 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157.16 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No