Information card for entry 7236140

Structure parameters

• Common name: BPY@PA
• Chemical name: 2,2'-bipyridinium-5,5'-diamino hydrogen Phosphate monohydreate
• Formula: C10 H15 N4 O5 P
• Calculated formula: C10 H15 N4 O5 P
• Title of publication: A mechanochemically synthesized covalent organic framework as a proton-conducting solid electrolyte
• Authors of publication: Shinde, Digambar Balaji; Aiyappa, Harshitha Barike; Bhadra, Mohitosh; Biswal, Bishnu P.; Wadge, Pritish; Kandambeth, Sharath; Garai, Bikash; Kundu, Tanay; Kurungot, Sreekumar; Banerjee, Rahul
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 2682
• a: 12.9672 ± 0.0005 Å
• b: 4.22937 ± 0.00014 Å
• c: 24.0975 ± 0.0008 Å
• α: 90°
• β: 100.972 ± 0.004°
• γ: 90°
• Cell volume: 1297.42 ± 0.08 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0555
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No