Information card for entry 7008434

Structure parameters

• Formula: C21 H21 Au Br3 P
• Calculated formula: C21 H21 Au Br3 P
• SMILES: [Au]([P](c1ccccc1C)(c1ccccc1C)c1ccccc1C)(Br)(Br)Br
• Title of publication: Bromination of (phosphine)gold(I) bromide complexes: stoichiometry and structure of products.
• Authors of publication: Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 11
• Pages of publication: 1940 - 1947
• a: 8.5107 ± 0.0001 Å
• b: 35.9228 ± 0.0004 Å
• c: 15.5325 ± 0.0002 Å
• α: 90°
• β: 95.2154 ± 0.0004°
• γ: 90°
• Cell volume: 4729.06 ± 0.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No