Information card for entry 4085366

Structure parameters

• Formula: C27 H39 Au Cl3 N
• Calculated formula: C27 H39 Au Cl3 N
• SMILES: [Au](Cl)[Cl-].ClC1=[N+](C(CC21C1CC3CC2CC(C1)C3)(C)C)c1c(C(C)C)cccc1C(C)C
• 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: 12.2146 ± 0.0003 Å
• b: 19.9562 ± 0.0003 Å
• c: 10.9345 ± 0.0002 Å
• α: 90°
• β: 91.951 ± 0.002°
• γ: 90°
• Cell volume: 2663.82 ± 0.09 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No