Information card for entry 4078578

Structure parameters

• Formula: C22 H28 Au Cl N2
• Calculated formula: C22 H28 Au Cl N2
• SMILES: C1(N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Au]Cl
• Title of publication: Gold(I) Complexes Bearing Sterically Imposing, Saturated Six- and Seven-Membered Expanded Ring N-Heterocyclic Carbene Ligands
• Authors of publication: Dunsford, Jay J.; Cavell, Kingsley J.; Kariuki, Benson M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4118
• a: 30.301 ± 0.0011 Å
• b: 8.902 ± 0.0004 Å
• c: 15.8361 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4271.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No