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Information card for entry 8106207
Preview
| Coordinates | 8106207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 N4 O8 |
|---|---|
| Calculated formula | C16 H18 N4 O8 |
| Title of publication | Crystal structure of 1,3,5,7-tetraazaadamantane-1,3-diium 2,5-dicarboxyterephthalate, C16H18N4O8 |
| Authors of publication | Wei, Xiao; Guang-Ming, Bao; Ting-Ting, Sun; Chun-Yan, Hu; Hou-Qun, Yuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 535 - 536 |
| a | 14.517 ± 0.004 Å |
| b | 18.006 ± 0.007 Å |
| c | 6.916 ± 0.003 Å |
| α | 90° |
| β | 116.97 ± 0.03° |
| γ | 90° |
| Cell volume | 1611.2 ± 1.1 Å3 |
| Cell temperature | 272 ± 2 K |
| Ambient diffraction temperature | 272 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.085 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1217 |
| Weighted residual factors for all reflections included in the refinement | 0.1387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279488 (current) | 2022-11-23 | cif/ Adding structures of 8106207 via cif-deposit CGI script. |
8106207.cif |
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