Information card for entry 7005494

Structure parameters

• Formula: C11 H14 I N O Se
• Calculated formula: C11 H14 I N O Se
• SMILES: c12c(cccc1)C[N]1(CCOCC1)[Se]2I
• 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: 8.2818 ± 0.0007 Å
• b: 14.3309 ± 0.0012 Å
• c: 10.7167 ± 0.0009 Å
• α: 90°
• β: 97.337 ± 0.001°
• γ: 90°
• Cell volume: 1261.5 ± 0.18 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0354
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No