Information card for entry 4079659

Structure parameters

• Formula: C33.25 H36.5 Au Cl1.5 N2
• Calculated formula: C33.25 H36.5 Au Cl1.5 N2
• SMILES: [Au](Cl)=C1N(C=CN1[C@@H](C(C)(C)C)c1cccc2ccccc12)[C@H](c1c2c(ccc1)cccc2)C(C)(C)C.ClCCl
• Title of publication: Chiral N-Heterocyclic Carbene Gold Complexes: Synthesis, Properties, and Application in Asymmetric Catalysis
• Authors of publication: Banerjee, Dipshikha; Buzas, Andrea K.; Besnard, Céline; Kündig, E. Peter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8348
• a: 15.9701 ± 0.0005 Å
• b: 10.82036 ± 0.00017 Å
• c: 20.1894 ± 0.0006 Å
• α: 90°
• β: 119.534 ± 0.004°
• γ: 90°
• Cell volume: 3035.45 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No