Information card for entry 7045515

Structure parameters

• Formula: C14 H32 Br4 P2 Se2
• Calculated formula: C14 H32 Br4 P2 Se2
• SMILES: C([P](C(C)C)(CC[P](C(C)C)(C(C)C)[Se](Br)Br)[Se](Br)Br)(C)C
• 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: 16.2568 ± 0.0005 Å
• b: 9.4204 ± 0.0003 Å
• c: 15.9393 ± 0.0006 Å
• α: 90°
• β: 107.253 ± 0.004°
• γ: 90°
• Cell volume: 2331.2 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No