Information card for entry 2211905

Structure parameters

• Chemical name: p-Phenylenediammonium tetrabromoaurate(III) bromide monohydrate
• Formula: C6 H12 Au Br5 N2 O
• Calculated formula: C6 H12 Au Br5 N2 O
• SMILES: c1([NH3+])ccc(cc1)[NH3+].O.[Au](Br)(Br)(Br)[Br-].[Br-]
• Title of publication: <i>p</i>-Phenylenediammonium tetrabromoaurate(III) bromide monohydrate
• Authors of publication: Rajeswaran, Manju; Bringley, Joseph F.; Cleary, Brian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m181 - m183
• a: 6.8462 ± 0.0003 Å
• b: 11.4379 ± 0.0007 Å
• c: 19.2654 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1508.6 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes