Information card for entry 2311985

Structure parameters

• Chemical name: Bis(3,4-dimethylpyridine‒3,4-dimethylpyridinium) diiodidoaurate(I) iodide
• Formula: C28 H38 Au I3 N4
• Calculated formula: C28 H38 Au I3 N4
• SMILES: [Au](I)[I-].[I-].[nH+]1cc(c(cc1)C)C.n1cc(c(cc1)C)C.[nH+]1cc(c(cc1)C)C.n1cc(c(cc1)C)C
• Title of publication: 3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)₂H]⁺·[AuI₂]^- and of two polymorphs of [(3,4-lut)₂H⁺]₂·[AuI₂]^-·I<sup/>.
• Authors of publication: Döring, Cindy; Sui, Zhihong; Jones, Peter G.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 3
• Pages of publication: 289 - 294
• a: 7.7528 ± 0.0002 Å
• b: 14.5978 ± 0.0005 Å
• c: 14.4806 ± 0.0004 Å
• α: 90°
• β: 102.552 ± 0.003°
• γ: 90°
• Cell volume: 1599.66 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No