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Information card for entry 8105865
Preview
| Coordinates | 8105865.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H98 B2 N2 O17 |
|---|---|
| Calculated formula | C46 H98 B2 N2 O17 |
| Title of publication | Crystal structure of tetrabutylammonium 4,4-oxydibenzoate – boric acid – water (1/2/6) C46H98B2N2O17 |
| Authors of publication | Cui, Yongxia; Chen, Xiaohui; Zhang, Tingting |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 831 - 834 |
| a | 16.485 ± 0.003 Å |
| b | 17.441 ± 0.003 Å |
| c | 41.1 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11817 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0804 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1335 |
| Weighted residual factors for all reflections included in the refinement | 0.1557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278173 (current) | 2022-09-26 | cif/ Adding structures of 8105865 via cif-deposit CGI script. |
8105865.cif |
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Users of the data should acknowledge the original authors of the
structural data.