Information card for entry 2202932

Structure parameters

• Common name: (bis (diphenylphosphino)methane monoxide)gold(I) bromide
• Chemical name: Bromo[(diphenylphosphino-κP)(diphenylphosphinoyl)methane]gold(I) acetonitrile solvate
• Formula: C27 H25 Au Br N O P2
• Calculated formula: C27 H25 Au Br N O P2
• SMILES: [Au](Br)[P](CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
• Title of publication: Bromo[(diphenylphosphino-κ<i>P</i>)(diphenylphosphinoyl)methane]gold(I) acetonitrile solvate
• Authors of publication: Michael L. Williams; Sue E. Boyd; Samuel P. C. Dunstan; Deborah L. Slade; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m768 - m770
• a: 11.657 ± 0.003 Å
• b: 22.436 ± 0.017 Å
• c: 11.209 ± 0.004 Å
• α: 90°
• β: 115.98 ± 0.02°
• γ: 90°
• Cell volume: 2635 ± 2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• 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: 0.056
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes