Information card for entry 4085371

Structure parameters

• Formula: C40 H62 Au Br3 N2
• Calculated formula: C40 H62 Au Br3 N2
• SMILES: [Au](=C1C(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C)=C1C(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C.[Br-](Br)Br
• 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: 9.3466 ± 0.0006 Å
• b: 11.0834 ± 0.0006 Å
• c: 11.9542 ± 0.0006 Å
• α: 67.002 ± 0.005°
• β: 86.712 ± 0.005°
• γ: 65.479 ± 0.006°
• Cell volume: 1028.97 ± 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: 0.0265
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No