Information card for entry 1548585

Structure parameters

• Chemical name: 2.2.5 Chlorido(tris-naphthylarsane)gold(I)
• Formula: C31 H23 As Au Cl3
• Calculated formula: C31 H23 As Au Cl3
• SMILES: [Au]([As](c1c2ccccc2ccc1)(c1c2ccccc2ccc1)c1c2ccccc2ccc1)Cl.ClCCl
• 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: 9.4715 ± 0.0003 Å
• b: 18.0504 ± 0.0005 Å
• c: 16.0002 ± 0.0005 Å
• α: 90°
• β: 96.461 ± 0.001°
• γ: 90°
• Cell volume: 2718.09 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.0403
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No