Information card for entry 4085370

Structure parameters

• Formula: C42 H66 Au Cl7 N2
• Calculated formula: C42 H66 Au Cl7 N2
• SMILES: C1(=[Au](Cl)(=C2C(CC(N2c2c(cccc2C(C)C)C(C)C)(C)C)(C)C)Cl)C(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C.[Cl-].ClCCl.C(Cl)Cl
• Title of publication: Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.
• Authors of publication: Romanov, Alexander S.; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2439 - 2454
• a: 9.721 ± 0.0004 Å
• b: 10.3012 ± 0.0006 Å
• c: 13.5165 ± 0.0006 Å
• α: 106.499 ± 0.004°
• β: 94.23 ± 0.004°
• γ: 114.563 ± 0.005°
• Cell volume: 1151.43 ± 0.12 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.0248
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No