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Information card for entry 7045625
Preview
Coordinates | 7045625.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | B4 H20 N Sc |
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Calculated formula | B4 H20 N Sc |
SMILES | [NH4+].[Sc]([BH4])([BH4])([BH4])[BH4] |
Title of publication | New hydrogen-rich ammonium metal borohydrides, NH<sub>4</sub>[M(BH<sub>4</sub>)<sub>4</sub>], M = Y, Sc, Al, as potential H<sub>2</sub> sources. |
Authors of publication | Starobrat, A.; Jaroń, T; Grochala, W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 13 |
Pages of publication | 4442 - 4448 |
a | 7.8857 ± 0.001 Å |
b | 11.892 ± 0.0016 Å |
c | 12.835 ± 0.0016 Å |
α | 90° |
β | 127.202 ± 0.004° |
γ | 90° |
Cell volume | 958.7 ± 0.2 Å3 |
Cell temperature | 240 K |
Ambient diffraction temperature | 240 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 | 0.031 |
Residual factor for significantly intense reflections | 0.0192 |
Weighted residual factors for all reflections | 0.0144 |
Weighted residual factors for significantly intense reflections | 0.0123 |
Goodness-of-fit parameter for all reflections | 0.1 |
Method of determination | powder diffraction |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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