Information card for entry 1503252

Structure parameters

• Formula: C9 H16 Au Cl N2
• Calculated formula: C9 H16 Au Cl N2
• SMILES: [Au](Cl)=C(N1CCCC1)N1CCCC1
• Title of publication: Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysis.
• Authors of publication: Seo, Hwimin; Roberts, Benjamin P.; Abboud, Khalil A.; Merz, Jr, Kenneth M; Hong, Sukwon
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 4860 - 4863
• a: 9.298 ± 0.0006 Å
• b: 9.6606 ± 0.0006 Å
• c: 12.1098 ± 0.0007 Å
• α: 90°
• β: 99.61 ± 0.001°
• γ: 90°
• Cell volume: 1072.49 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.015
• Residual factor for significantly intense reflections: 0.0146
• Weighted residual factors for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No