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Information card for entry 7036082
Preview
Coordinates | 7036082.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H40 B4 Mg N2 |
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Calculated formula | C8 H40 B4 Mg N2 |
SMILES | C[N+](C)(C)C.C[N+](C)(C)C.[BH2]1[H][Mg]234([H]1)([H][BH2][H]3)([H][BH2][H]2)[H][BH2][H]4 |
Title of publication | Salts of highly fluorinated weakly coordinating anions as versatile precursors towards hydrogen storage materials. |
Authors of publication | Starobrat, A.; Tyszkiewicz, M. J.; Wegner, W.; Pancerz, D.; Orłowski, P A; Leszczyński, P J; Fijalkowski, K. J.; Jaroń, T; Grochala, W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 45 |
Pages of publication | 19469 - 19477 |
a | 9.4601 ± 0.0009 Å |
b | 12.9288 ± 0.0011 Å |
c | 19.082 ± 0.003 Å |
α | 90° |
β | 119.79 ± 0.016° |
γ | 90° |
Cell volume | 2025.5 ± 0.5 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 5 |
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 | 0.0511 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for all reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0342 |
Goodness-of-fit parameter for all reflections | 1.39 |
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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