Information card for entry 7048657

Structure parameters

• Formula: C21 H26 Au Cl N2
• Calculated formula: C21 H26 Au Cl 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: 16.5805 ± 0.0005 Å
• b: 14.6038 ± 0.0006 Å
• c: 8.1861 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1982.17 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No