Information card for entry 2241729

Structure parameters

• Chemical name: (Benzenecarbothioamide-κ<i>S</i>)bromidobis(triphenylphosphane-κ<i>P</i>)silver(I)
• Formula: C43 H37 Ag Br N P2 S
• Calculated formula: C43 H37 Ag Br N P2 S
• SMILES: [Ag](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]=C(N)c1ccccc1
• Title of publication: Crystal structure and Hirshfeld-surface analysis of (benzenecarbothioamide-κ<i>S</i>)bromidobis(triphenylphosphane-κ<i>P</i>)silver(I)
• Authors of publication: Ruangwut, Wattana; Saithong, Saowanit; Pakawatchai, Chaveng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 984 - 987
• a: 14.4354 ± 0.0005 Å
• b: 14.1925 ± 0.0005 Å
• c: 19.1682 ± 0.0006 Å
• α: 90°
• β: 98.786 ± 0.001°
• γ: 90°
• Cell volume: 3881 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes