Information card for entry 7045530

Structure parameters

• Formula: C13 H30 Br4 P2 Se2
• Calculated formula: C13 H30 Br4 P2 Se2
• SMILES: [P+]1([Se](=[Se]=P(C1)(C(C)C)C(C)C)Br)(C(C)C)C(C)C.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: 8.6805 ± 0.0005 Å
• b: 8.9116 ± 0.0005 Å
• c: 16.693 ± 0.0008 Å
• α: 100.22 ± 0.005°
• β: 90.63 ± 0.004°
• γ: 116.279 ± 0.006°
• Cell volume: 1133.61 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No