Information card for entry 4078580

Structure parameters

• Formula: C30 H43 Au Cl4 N2
• Calculated formula: C30 H43 Au Cl4 N2
• SMILES: C1(N(CCCCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Au]Cl.C(Cl)(Cl)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: 9.4715 ± 0.0002 Å
• b: 16.9868 ± 0.0005 Å
• c: 20.2919 ± 0.0005 Å
• α: 90°
• β: 94.594 ± 0.002°
• γ: 90°
• Cell volume: 3254.28 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No