Information card for entry 7045513

Structure parameters

• Formula: C13 H30 I4 P2 Se2
• Calculated formula: C13 H30 I4 P2 Se2
• SMILES: I[Se]1=[Se]=P(C[P+]1(C(C)C)C(C)C)(C(C)C)C(C)C.I[I-]I
• 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: 8.6379 ± 0.0004 Å
• b: 14.2975 ± 0.0005 Å
• c: 10.2018 ± 0.0003 Å
• α: 90°
• β: 95.358 ± 0.004°
• γ: 90°
• Cell volume: 1254.42 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No