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Information card for entry 8104875
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| Coordinates | 8104875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Hexaaquacopper(II) dihydrogen pyromellitate |
|---|---|
| Formula | C10 H16 Cu O14 |
| Calculated formula | C10 H16 Cu O14 |
| Title of publication | Synthesis and crystal structure of hexaaquacopper(II) 2,5-dicarboxyterephthalate, C10H16O14Cu |
| Authors of publication | Oguntade, Bukunola K.; Hulushe, Siya T.; Hosten, Eric C.; Watkins, Gareth M. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 37 - 38 |
| a | 7.2407 ± 0.0003 Å |
| b | 9.7565 ± 0.0004 Å |
| c | 21.1814 ± 0.001 Å |
| α | 90° |
| β | 93.913 ± 0.002° |
| γ | 90° |
| Cell volume | 1492.85 ± 0.11 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0214 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0504 |
| Weighted residual factors for all reflections included in the refinement | 0.0509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273990 (current) | 2022-03-25 | cif/ Adding structures of 8104875 via cif-deposit CGI script. |
8104875.cif |
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Users of the data should acknowledge the original authors of the
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