Information card for entry 4065166

Structure parameters

• Formula: C31 H41 Au Cl N O
• Calculated formula: C31 H41 Au Cl N O
• SMILES: [Au](Cl)=C(Oc1c(cccc1C(C)C)C(C)C)N(c1c(cccc1C)C)C12CC3CC(C1)CC(C2)C3
• Title of publication: Bulky Acyclic Aminooxycarbene Ligands
• Authors of publication: Seo, Hwimin; Snead, David R.; Abboud, Khalil A.; Hong, Sukwon
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5725
• a: 12.96 ± 0.0006 Å
• b: 12.4731 ± 0.0006 Å
• c: 17.5801 ± 0.0009 Å
• α: 90°
• β: 98.467 ± 0.001°
• γ: 90°
• Cell volume: 2810.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0122
• Residual factor for significantly intense reflections: 0.0114
• Weighted residual factors for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections included in the refinement: 0.0299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No