Information card for entry 1516120

Structure parameters

• Formula: B H6 N2 Na
• Calculated formula: B H6 N2 Na
• SMILES: [BH3]NN.[Na+]
• Title of publication: Alkali Metal Hydride Modification on Hydrazine Borane for Improved Dehydrogenation
• Authors of publication: Chua, Yong Shen; Pei, Qijun; Ju, Xiaohua; Zhou, Wei; Udovic, Terrence J.; Wu, Guotao; Xiong, Zhitao; Chen, Ping; Wu, Hui
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 21
• Pages of publication: 11244
• a: 4.97456 ± 0.00029 Å
• b: 7.9607 ± 0.0004 Å
• c: 10.2456 ± 0.0005 Å
• α: 90°
• β: 115.166 ± 0.0022°
• γ: 90°
• Cell volume: 367.22 ± 0.03 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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
• RFsqd: 0.16034
• Goodness-of-fit parameter for all reflections: 4.59
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No