Information card for entry 1548582

Structure parameters

• Chemical name: Chlorido[tris(<i>p</i>-tolylarsane)gold(I)
• Formula: C21 H21 As Au Cl
• Calculated formula: C21 H21 As Au Cl
• SMILES: [Au]([As](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)Cl
• Title of publication: Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study
• Authors of publication: Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli
• Journal of publication: Plos One
• Year of publication: 2015
• Journal volume: 10
• Pages of publication: e0119620
• a: 12.9884 ± 0.0009 Å
• b: 17.0042 ± 0.0012 Å
• c: 13.3251 ± 0.0009 Å
• α: 90°
• β: 90.318 ± 0.002°
• γ: 90°
• Cell volume: 2942.9 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0437
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No