Information card for entry 7027557

Structure parameters

• Formula: C18 H42 I4 N3 P
• Calculated formula: C18 H42 I4 N3 P
• SMILES: I[P+](N(CCC)CCC)(N(CCC)CCC)N(CCC)CCC.I[I-]I
• Title of publication: The reaction of some tertiary phosphines with two mole equivalents of diiodine to produce the iodophosphonium triiodides [R3PI]I3; influence of R in causing subtle variations in solid state structures
• Authors of publication: Cross, Wendy I.; Godfrey, Stephen M.; McAuliffe, Charles A.; Pritchard, Robin G.; Sheffield, Joanne M.; Thompson, Graeme M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2795
• a: 16.913 ± 0.003 Å
• b: 9.7437 ± 0.0015 Å
• c: 35.602 ± 0.008 Å
• α: 90°
• β: 94.02 ± 0.02°
• γ: 90°
• Cell volume: 5852.6 ± 1.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.1768
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No