Information card for entry 7048658

Structure parameters

• Formula: C10 H20 Au Br0.31 Cl0.69 N2
• Calculated formula: C10 H20 Au Br0.311 Cl0.689 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: 9.6232 ± 0.0006 Å
• b: 7.6641 ± 0.0007 Å
• c: 9.7659 ± 0.0007 Å
• α: 90°
• β: 114.728 ± 0.004°
• γ: 90°
• Cell volume: 654.22 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No