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Information card for entry 2243902
Preview
| Coordinates | 2243902.cif |
|---|---|
| Structure factors | 2243902.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[hexaaqua{μ~3~-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] pentahydrate] |
|---|---|
| Formula | C12 H29 Co2 N O19 |
| Calculated formula | C12 H29 Co2 N O19 |
| Title of publication | Synthesis and crystal structure of <i>catena</i>-poly[[hexaaqua{μ~3~-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] pentahydrate] containing water tapes and pentamers |
| Authors of publication | Ma, Jie; Zhang, Wen-Zhi; Xiong, Jie; Yan, Chun-Yan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 9.7653 ± 0.0015 Å |
| b | 11.725 ± 0.002 Å |
| c | 11.8191 ± 0.0015 Å |
| α | 64.882 ± 0.005° |
| β | 71.276 ± 0.007° |
| γ | 86.692 ± 0.008° |
| Cell volume | 1155.6 ± 0.3 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268159 (current) | 2021-08-21 | cif/ hkl/ Adding structures of 2243902 via cif-deposit CGI script. |
2243902.cif 2243902.hkl |
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Users of the data should acknowledge the original authors of the
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