Information card for entry 2022913

Structure parameters

• Chemical name: Bis(pyrrolidinium) tetrabromidoaurate(III) bromide
• Formula: C8 H20 Au Br5 N2
• Calculated formula: C8 H20 Au Br5 N2
• Title of publication: Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.
• Authors of publication: Döring, Cindy; Jones, Peter G.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 11
• Pages of publication: 1017 - 1027
• a: 19.1275 ± 0.0007 Å
• b: 9.4396 ± 0.0013 Å
• c: 18.9259 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3417.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes