Information card for entry 7048660

Structure parameters

• Formula: C25 H34 Au Cl N2
• Calculated formula: C25 H34 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: 9.5596 ± 0.0002 Å
• b: 18.9069 ± 0.0005 Å
• c: 12.5673 ± 0.0002 Å
• α: 90°
• β: 90.647 ± 0.001°
• γ: 90°
• Cell volume: 2271.3 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No