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Information card for entry 2244125
Preview
| Coordinates | 2244125.cif |
|---|---|
| Structure factors | 2244125.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexaaquacobalt bis(2-methyl-1<i>H</i>-imidazol-3-ium) tetraaquabis(benzene-1,3,5-tricarboxylato-κ<i>O</i>)cobalt |
|---|---|
| Formula | C26 H40 Co2 N4 O22 |
| Calculated formula | C26 H40 Co2 N4 O22 |
| Title of publication | Synthesis and structure of hexaaquacobalt bis(2-methyl-1<i>H</i>-imidazol-3-ium) tetraaquabis(benzene-1,3,5-tricarboxylato-κ<i>O</i>)cobalt |
| Authors of publication | Velazquez-Garcia, Jose de Jesus; Techert, Simone |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 8 |
| a | 9.2008 ± 0.0004 Å |
| b | 9.3137 ± 0.0004 Å |
| c | 10.647 ± 0.0004 Å |
| α | 86.551 ± 0.002° |
| β | 79.378 ± 0.002° |
| γ | 72.369 ± 0.002° |
| Cell volume | 854.61 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0315 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0662 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276895 (current) | 2022-07-23 | cif/ hkl/ Adding structures of 2244125 via cif-deposit CGI script. |
2244125.cif 2244125.hkl |
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Users of the data should acknowledge the original authors of the
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