Information card for entry 7027556

Structure parameters

• Formula: C9 H21 I4 P
• Calculated formula: C9 H21 I4 P
• 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: 15.072 ± 0.005 Å
• b: 11.309 ± 0.007 Å
• c: 31.994 ± 0.013 Å
• α: 90°
• β: 92.88 ± 0.03°
• γ: 90°
• Cell volume: 5446 ± 4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• 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: 0.1068
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No