Information card for entry 2019059

Structure parameters

• Chemical name: Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I)
• Formula: C12 H14 Au2 Br2 N2
• Calculated formula: C12 H14 Au2 Br2 N2
• SMILES: [Au]([n]1ccc(cc1)C)[n]1ccc(cc1)C.[Au](Br)[Br-]
• Title of publication: Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?
• Authors of publication: Döring, Cindy; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: 709 - 711
• a: 8.2485 ± 0.0003 Å
• b: 9.7291 ± 0.0003 Å
• c: 19.8055 ± 0.0006 Å
• α: 90°
• β: 94.737 ± 0.003°
• γ: 90°
• Cell volume: 1583.97 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes