Information card for entry 7104455

Structure parameters

• Common name: Guanidinium Tetrahydroborate
• Chemical name: Guanidinium Tetrahydroborate
• Formula: C H10 B N3
• Calculated formula: C H10 B N3
• SMILES: [BH4-].[NH2+]=C(N)N
• Title of publication: New chemical hydrogen storage materials exploiting the self-sustaining thermal decomposition of guanidinium borohydride.
• Authors of publication: Groshens, Thomas J; Hollins, Richard A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 3089 - 3091
• a: 6.7433 ± 0.0008 Å
• b: 6.7433 ± 0.0008 Å
• c: 24.195 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1100.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No