Information card for entry 7045531

Structure parameters

• Formula: C14 H32 Br6 P2 Se
• Calculated formula: C14 H32 Br6 P2 Se
• SMILES: C([P+](C(C)C)(C(C)C)Br)C[P+](C(C)C)(C(C)C)Br.Br[Se]([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: 7.8144 ± 0.0003 Å
• b: 8.7133 ± 0.0005 Å
• c: 9.943 ± 0.0007 Å
• α: 108.707 ± 0.006°
• β: 93.299 ± 0.004°
• γ: 102.917 ± 0.005°
• Cell volume: 618.86 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No