Information card for entry 7003188

Structure parameters

• Formula: C18 H29 I N3 P Se
• Calculated formula: C18 H29 I N3 P Se
• SMILES: C1CCCN1[P+](N1CCCC1)(N1CCCC1)[Se]c1ccccc1.[I-]
• Title of publication: The reactions of alkylamino substituted phosphines with I2 and (Ph2Se2I2)2: structural features of alkylamino phosphonium cations
• Authors of publication: Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 10
• Pages of publication: 1346 - 1354
• a: 9.093 ± 0.003 Å
• b: 11.54 ± 0.006 Å
• c: 19.803 ± 0.007 Å
• α: 90°
• β: 95.386 ± 0.013°
• γ: 90°
• Cell volume: 2068.8 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No