Information card for entry 2241314

Structure parameters

• Chemical name: 1,1'-[Selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one)
• Formula: C16 H12 Cl2 O2 Se
• Calculated formula: C16 H12 Cl2 O2 Se
• SMILES: [Se](c1ccc(cc1)C(=O)CCl)c1ccc(cc1)C(=O)CCl
• Title of publication: Crystal structure of 1,1'-[selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one)
• Authors of publication: Bouraoui, Hazem; Boudjada, Ali; Hamdouni, Noudjoud; Mechehoud, Youcef; Meinnel, Jean
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o935 - o936
• a: 7.9664 ± 0.0007 Å
• b: 9.2804 ± 0.001 Å
• c: 10.9045 ± 0.0012 Å
• α: 104.612 ± 0.009°
• β: 95.886 ± 0.008°
• γ: 91.102 ± 0.008°
• Cell volume: 775.14 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1091
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes