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Information card for entry 8106728
Preview
| Coordinates | 8106728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H30 N4 O5 |
|---|---|
| Calculated formula | C10 H30 N4 O5 |
| SMILES | C(=O)([O-])[O-].O.NC(=[NH2+])N.O.C(C)[N+](CC)(CC)CC |
| Title of publication | Crystal structure of guanidinium tetraethylammonium carbonate dihydrate, C10H30N4O5 |
| Authors of publication | Li, Xiaokun; Zhu, Linlin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 939 - 940 |
| a | 18.1934 ± 0.0005 Å |
| b | 7.2548 ± 0.0001 Å |
| c | 11.8168 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1559.69 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280829 (current) | 2023-02-08 | cif/ Adding structures of 8106728 via cif-deposit CGI script. |
8106728.cif |
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Users of the data should acknowledge the original authors of the
structural data.