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Information card for entry 8106146
Preview
| Coordinates | 8106146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H56 B2 N2 O14 |
|---|---|
| Calculated formula | C17 H56 B2 N2 O14 |
| SMILES | C([N+](CC)(CC)CC)C.O=C([O-])[O-].O.B(O)(O)O.[N+](CC)(CC)(CC)CC.O.B(O)(O)O.O.O.O |
| Title of publication | Bis(tetraethylammonium) carbonate – boric acid – water (1/2/5), C17H56B2N2O14 |
| Authors of publication | Wang, Peizhi; Wang, Peiyu; Bai, Ming |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 3 |
| Pages of publication | 339 - 341 |
| a | 14.3049 ± 0.0006 Å |
| b | 14.5382 ± 0.0007 Å |
| c | 15.0065 ± 0.0007 Å |
| α | 90° |
| β | 103.185 ± 0.003° |
| γ | 90° |
| Cell volume | 3038.6 ± 0.2 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 | 0.0881 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1592 |
| Weighted residual factors for all reflections included in the refinement | 0.1836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279380 (current) | 2022-11-18 | cif/ Adding structures of 8106146 via cif-deposit CGI script. |
8106146.cif |
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Users of the data should acknowledge the original authors of the
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