Information card for entry 2219590

Structure parameters

• Common name: p2-19_Auiso
• Chemical name: Bis(2,6-dimethylphenyl isocyanide-κC)gold(I) tetrafluoroborate
• Formula: C18 H18 Au B F4 N2
• Calculated formula: C18 H18 Au B F4 N2
• SMILES: C(#[N]c1c(cccc1C)C)[Au]C#[N]c1c(cccc1C)C.[B](F)(F)(F)[F-]
• Title of publication: Bis(2,6-dimethylphenyl isocyanide-κ<i>C</i>)gold(I) tetrafluoridoborate
• Authors of publication: Singa, Timi P.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Kubiak, Clifford P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1221
• a: 13.193 ± 0.0015 Å
• b: 10.784 ± 0.0013 Å
• c: 13.626 ± 0.0015 Å
• α: 90°
• β: 105.034 ± 0.002°
• γ: 90°
• Cell volume: 1872.3 ± 0.4 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes