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Information card for entry 8107476
Preview
| Coordinates | 8107476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H40 N5 O4 S |
|---|---|
| Calculated formula | C18 H40 N5 O4 S |
| Title of publication | Crystal structure of bis(tetrapropylammonium) terephthalate – 1-(diaminomethylene)thiourea – water (1/2/4) C18H40N5O4S |
| Authors of publication | Li, Mengfei; Geng, Fangfang; Zhu, Honglei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 3 |
| Pages of publication | 491 - 493 |
| a | 8.4254 ± 0.0009 Å |
| b | 17.9168 ± 0.0019 Å |
| c | 16.147 ± 0.0017 Å |
| α | 90° |
| β | 98.302 ± 0.002° |
| γ | 90° |
| Cell volume | 2411.9 ± 0.4 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285178 (current) | 2023-07-12 | cif/ Adding structures of 8107476 via cif-deposit CGI script. |
8107476.cif |
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Users of the data should acknowledge the original authors of the
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