Information card for entry 7231072

Structure parameters

• Formula: C10 H26 B N O5
• Calculated formula: C10 H26 B N O5
• Title of publication: Crystalline structure of an ammonia borane‒polyethylene oxide cocrystal: a material investigated for its hydrogen storage potential
• Authors of publication: Ploszajski, Anna R.; Billing, Matthew; Cockcroft, Jeremy K.; Skipper, Neal T.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 31
• Pages of publication: 4436
• a: 8.42518 ± 0.00012 Å
• b: 8.39871 ± 0.00016 Å
• c: 20.2469 ± 0.0003 Å
• α: 90°
• β: 91.5852 ± 0.0013°
• γ: 90°
• Cell volume: 1432.14 ± 0.04 ų
• Cell temperature: 150.04 ± 0.1 K
• Ambient diffraction temperature: 150 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: 0.0628
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No