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Information card for entry 1557561
Preview
| Coordinates | 1557561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H32 Cd0.96 Cu0.04 N6 O18 S2 |
|---|---|
| Calculated formula | C8 H32 Cd0.965 Cu0.035 N6 O18 S2 |
| Title of publication | Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate. |
| Authors of publication | Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2020 |
| a | 6.5282 ± 0.0002 Å |
| b | 27.7012 ± 0.0009 Å |
| c | 7.1557 ± 0.0002 Å |
| α | 90° |
| β | 110.584 ± 0.001° |
| γ | 90° |
| Cell volume | 1211.42 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0243 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0576 |
| Weighted residual factors for all reflections included in the refinement | 0.0582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.7288 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249214 (current) | 2020-03-10 | cif/ Adding structures of 1557561 via cif-deposit CGI script. |
1557561.cif |
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