Information card for entry 4067008

Structure parameters

• Common name: 7-KetoMes-AuCl
• Formula: C27 H26 Au Cl N2 O2
• Calculated formula: C27 H26 Au Cl N2 O2
• SMILES: [Au](Cl)=C1N(C(=O)c2c(C(=O)N1c1c(cc(C)cc1C)C)cccc2)c1c(cc(cc1C)C)C
• Title of publication: A Seven-MemberedN,N′-Diamidocarbene
• Authors of publication: Hudnall, Todd W.; Tennyson, Andrew G.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4569
• a: 12.6721 ± 0.0012 Å
• b: 15.0441 ± 0.0014 Å
• c: 13.0708 ± 0.0013 Å
• α: 90°
• β: 95.875 ± 0.002°
• γ: 90°
• Cell volume: 2478.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0202
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No