Information card for entry 4125109

Structure parameters

• Formula: C36 H54 Au Cl N2
• Calculated formula: C36 H54 Au Cl N2
• SMILES: [Au](Cl)=C1N(c2c(C(C)C)cccc2C(C)C)C(C)(C)CC1(C)/C(=N/c1c(cccc1C(C)C)C(C)C)C(C)(C)C
• Title of publication: Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.
• Authors of publication: Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 25
• Pages of publication: 7884 - 7887
• a: 10.0911 ± 0.0007 Å
• b: 18.5601 ± 0.0014 Å
• c: 19.6959 ± 0.0014 Å
• α: 106.828 ± 0.002°
• β: 94.902 ± 0.002°
• γ: 98.618 ± 0.002°
• Cell volume: 3458.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No