Information card for entry 7003187

Structure parameters

• Formula: C12 H24 I2 N3 P
• Calculated formula: C12 H24 I2 N3 P
• SMILES: C1CCCN1[P+](N1CCCC1)(N1CCCC1)I.[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: 8.7268 ± 0.0004 Å
• b: 21.6107 ± 0.0009 Å
• c: 9.3212 ± 0.0004 Å
• α: 90°
• β: 91.655 ± 0.002°
• γ: 90°
• Cell volume: 1757.17 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No