Information card for entry 7027500

Structure parameters

• Chemical name: Tris(dimethylamino)iminophosphorane
• Formula: C6 H19 N4 P
• Calculated formula: C6 H19 N4 P
• SMILES: P(N(C)C)(N(C)C)(N(C)C)=N
• Title of publication: The molecular and crystal structures of the tris(dimethylamino)phosphoranes (Me2N)3P‒X (X = BH3, CH2, NH or O)
• Authors of publication: Mitzel, Norbert W.; Lustig, Christian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 3177
• a: 8.219 ± 0.0009 Å
• b: 10.0901 ± 0.0003 Å
• c: 12.1644 ± 0.0014 Å
• α: 90°
• β: 97.512 ± 0.006°
• γ: 90°
• Cell volume: 1000.14 ± 0.16 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.1006
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No