Information card for entry 7005495

Structure parameters

• Formula: C11 H15 Br2 N O Se
• Calculated formula: C11 H15 Br2 N O Se
• SMILES: c1(c(cccc1)C[NH+]1CCOCC1)[Se](Br)Br
• Title of publication: Solid state structure and solution behaviour of organoselenium(II) compounds containing 2-{E(CH2CH2)2NCH2}C6H4 groups (E = O, NMe).
• Authors of publication: Kulcsar, Monika; Beleaga, Anca; Silvestru, Cristian; Nicolescu, Alina; Deleanu, Calin; Todasca, Cristina; Silvestru, Anca
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 21
• Pages of publication: 2187 - 2196
• a: 16.141 ± 0.002 Å
• b: 12.6448 ± 0.0016 Å
• c: 6.9126 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1410.9 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No