Information card for entry 2017492

Structure parameters

• Chemical name: diammonium <i>closo</i>-decahydrodecaborate sesquihydrate
• Formula: B10 H21 N2 O1.5
• Calculated formula: B10 H21 N2 O1.5
• SMILES: [NH4+].[NH4+].O.O.[BH]123[BH]456[BH]781[BH]192[BH]234[BH]349[BH]981[BH]157[BH]623[BH]491
• Title of publication: Intermolecular dihydrogen- and hydrogen-bonding interactions in diammonium <i>closo</i>-decahydrodecaborate sesquihydrate
• Authors of publication: Yisgedu, Teshome B.; Chen, Xuenian; Lingam, Hima K.; Huang, Zhenguo; Meyers, Edward A.; Shore, Sheldon G.; Zhao, Ji-Cheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m1 - m3
• a: 11.674 ± 0.002 Å
• b: 8.623 ± 0.0017 Å
• c: 23.318 ± 0.005 Å
• α: 90°
• β: 98.97 ± 0.03°
• γ: 90°
• Cell volume: 2318.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0803
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes