Information card for entry 4064776

Structure parameters

• Formula: C16 H18 Au Cl2 N O2
• Calculated formula: C16 H18 Au Cl2 N O2
• SMILES: [Au]1(c2c(c3[n]1cccc3)ccc(c2)C)(OC(=O)C)C.C(Cl)Cl
• Title of publication: Synthesis of a Coordinatively Labile Gold(III) Methyl Complex
• Authors of publication: Venugopal, Ajay; Shaw, Anthony P.; Törnroos, Karl W.; Heyn, Richard H.; Tilset, Mats
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3250
• a: 7.2103 ± 0.0002 Å
• b: 10.7553 ± 0.0003 Å
• c: 12.4878 ± 0.0005 Å
• α: 108.622 ± 0.001°
• β: 102.576 ± 0.001°
• γ: 101.895 ± 0.001°
• Cell volume: 855 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No