Information card for entry 4322949

Structure parameters

• Chemical name: bis(isopropylammonium)dimethylboranophosphate
• Formula: C8 H25 B N O3 P
• Calculated formula: C8 H25 B N O3 P
• Title of publication: Structural Studies of a Borane-Modified Phosphate Diester Linkage: Ab Initio Calculations on the Dimethylboranophosphate Anion and the Single-Crystal X-ray Structure of Its Diisopropylammonium Salt
• Authors of publication: Jack S. Summers; Diana Roe; Paul D. Boyle; Michael Colvin; Barbara Ramsay Shaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4158 - 4159
• a: 9.6242 ± 0.0005 Å
• b: 12.9089 ± 0.0008 Å
• c: 11.6897 ± 0.0006 Å
• α: 90°
• β: 93.649 ± 0.005°
• γ: 90°
• Cell volume: 1449.36 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.05
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for significantly intense reflections: 1.42
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No