Information card for entry 4348501

Structure parameters

• Chemical name: diammonium pentahydroxyheptaborate boric acid water solvate
• Formula: B31 H71 N8 O70
• Calculated formula: B31 H69 N8 O70
• Title of publication: Solid-State Synthesis and Structure of the Enigmatic Ammonium Octaborate: (NH4)2[B7O9(OH)5]·3/4B(OH)3·5/4H2O.
• Authors of publication: Neiner, Doinita; Sevryugina, Yulia V.; Schubert, David M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8706 - 8711
• a: 11.41368 ± 0.00016 Å
• b: 11.88771 ± 0.00019 Å
• c: 23.4459 ± 0.0003 Å
• α: 90°
• β: 90.0915 ± 0.0013°
• γ: 90°
• Cell volume: 3181.19 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No