Information card for entry 7045522

Structure parameters

• Formula: C26 H24 Br4 P2 S
• Calculated formula: C26 H24 Br4 P2 S
• SMILES: P(=S)(CC[P+](Br)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.Br[Br-]Br
• Title of publication: Bromination and iodination of diphosphane dichalcogenides.
• Authors of publication: Upmann, Daniel; Jones, Peter G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2748 - 2758
• a: 15.8873 ± 0.0003 Å
• b: 9.6949 ± 0.0002 Å
• c: 18.3533 ± 0.0005 Å
• α: 90°
• β: 101.565 ± 0.003°
• γ: 90°
• Cell volume: 2769.49 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No