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Information card for entry 8106932
Preview
| Coordinates | 8106932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H17 B5 N2 O10 |
|---|---|
| Calculated formula | C7 H17 B5 N2 O10 |
| Title of publication | Crystal structure of 1-propyl-3-methylimidazolium pentaborate, [C7H13N2][B5O6(OH)4] |
| Authors of publication | Li, Ping; Fan, Cai-Hong; Ge, Jun-Feng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 537 - 539 |
| a | 9.5108 ± 0.0017 Å |
| b | 15.659 ± 0.003 Å |
| c | 10.356 ± 0.002 Å |
| α | 90° |
| β | 90.367 ± 0.003° |
| γ | 90° |
| Cell volume | 1542.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.301 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281844 (current) | 2023-03-13 | cif/ Adding structures of 8106932 via cif-deposit CGI script. |
8106932.cif |
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Users of the data should acknowledge the original authors of the
structural data.