Information card for entry 2200074

Structure parameters

• Formula: C28 H28 P2 Se2
• Calculated formula: C28 H28 P2 Se2
• SMILES: C(CP(c1ccccc1)(c1ccccc1)=[Se])CCP(c1ccccc1)(c1ccccc1)=[Se]
• Title of publication: 1,4-Butylenebis(diphenylphosphine selenide)
• Authors of publication: Hundal, Rajbir; Lobana, Tarlok S.; Turner, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o30 - o31
• a: 6.8206 ± 0.0007 Å
• b: 23.154 ± 0.003 Å
• c: 8.7018 ± 0.0009 Å
• α: 90°
• β: 105.38 ± 0.002°
• γ: 90°
• Cell volume: 1325 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.031
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No