Information card for entry 2233953

Structure parameters

• Chemical name: Bis(2,6-dichlorobenzyl)selane
• Formula: C14 H10 Cl4 Se
• Calculated formula: C14 H10 Cl4 Se
• SMILES: [Se](Cc1c(Cl)cccc1Cl)Cc1c(Cl)cccc1Cl
• Title of publication: Bis(2,6-dichlorobenzyl)selane
• Authors of publication: Zhou, Mei-Yun; Li, Yi-Qun; Zheng, Wen-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o921
• a: 8.1144 ± 0.0005 Å
• b: 12.225 ± 0.0005 Å
• c: 15.3505 ± 0.0009 Å
• α: 90°
• β: 102.479 ± 0.006°
• γ: 90°
• Cell volume: 1486.77 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0683
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes