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Information card for entry 7712200
Preview
| Coordinates | 7712200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H60 B N4 P |
|---|---|
| Calculated formula | C42 H60 B N4 P |
| Title of publication | Towards hydrogen-rich ionic (NH4)(BH3NH2BH2NH2BH3) and related molecular NH3BH2NH2BH2NH2BH3 |
| Authors of publication | Owarzany, Rafał; Jaroń, Tomasz; Kazimierczuk, Krzysztof; Malinowski, Przemysław J.; Grochala, Wojciech; Fijalkowski, Karol J. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 11.7376 ± 0.0003 Å |
| b | 19.5388 ± 0.0005 Å |
| c | 20.5479 ± 0.0004 Å |
| α | 61.751 ± 0.002° |
| β | 73.618 ± 0.002° |
| γ | 89.605 ± 0.002° |
| Cell volume | 3937.71 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.088 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.1907 |
| Weighted residual factors for all reflections included in the refinement | 0.2094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280625 (current) | 2023-01-27 | cif/ Adding structures of 7712200 via cif-deposit CGI script. |
7712200.cif |
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Users of the data should acknowledge the original authors of the
structural data.