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Information card for entry 4102088
Preview
Coordinates | 4102088.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H43 B K N O6 |
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Calculated formula | C20 H43 B K N O6 |
SMILES | [K]123456([O]7CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC7)[H][B]1(N(CCCC1)C(C)(C)C)[H]6 |
Title of publication | Hydrogen Storage by Boron-Nitrogen Heterocycles: A Simple Route for Spent Fuel Regeneration |
Authors of publication | Patrick G. Campbell; Lev N. Zakharov; Daniel J. Grant; David A. Dixon; Shih-Yuan Liu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 3289 - 3291 |
a | 9.883 ± 0.005 Å |
b | 11.83 ± 0.006 Å |
c | 22.453 ± 0.01 Å |
α | 90° |
β | 92.087 ± 0.008° |
γ | 90° |
Cell volume | 2623 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.117 |
Residual factor for significantly intense reflections | 0.0687 |
Weighted residual factors for significantly intense reflections | 0.1669 |
Weighted residual factors for all reflections included in the refinement | 0.1993 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4102088.html
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Users of the data should acknowledge the original authors of the
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