Information card for entry 7003186

Structure parameters

• Formula: C18 H42 I2 N3 P
• Calculated formula: C18 H42 I2 N3 P
• SMILES: C(CC)N(CCC)[P+](N(CCC)CCC)(N(CCC)CCC)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: 16.5326 ± 0.0004 Å
• b: 9.4427 ± 0.0002 Å
• c: 16.797 ± 0.0005 Å
• α: 90°
• β: 101.214 ± 0.001°
• γ: 90°
• Cell volume: 2572.16 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No