Information card for entry 7045509

Structure parameters

• Formula: C14 H32 Br6 Cl2 P2 Se
• Calculated formula: C14 H32 Br6 Cl2 P2 Se
• SMILES: [Se]([Br-])(Br)(Br)[Br-].Br[P+](C[P+](Br)(C(C)C)C(C)C)(C(C)C)C(C)C.C(Cl)Cl
• 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: 10.1753 ± 0.0002 Å
• b: 19.4723 ± 0.0004 Å
• c: 14.0281 ± 0.0002 Å
• α: 90°
• β: 97.973 ± 0.002°
• γ: 90°
• Cell volume: 2752.61 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0476
• 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