Information card for entry 7045526

Structure parameters

• Formula: C26 H24 I4 P2 Se2
• Calculated formula: C26 H24 I4 P2 Se2
• SMILES: [I](I)[Se]=P(CCP(=[Se][I]I)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.121 ± 0.0002 Å
• b: 17.1331 ± 0.0004 Å
• c: 17.688 ± 0.0004 Å
• α: 90°
• β: 90.514 ± 0.002°
• γ: 90°
• Cell volume: 3067.05 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No