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Information card for entry 1553996
Preview
| Coordinates | 1553996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H25.95 Cd N6 O8.98 |
|---|---|
| Calculated formula | C12 H16 Cd N6 O8.975 |
| Title of publication | Models for Copper Dynamic Behavior in Doped Cadmium dl-Histidine Crystals: Electron Paramagnetic Resonance and Crystallographic Analysis. |
| Authors of publication | Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2015 |
| Journal volume | 119 |
| Journal issue | 45 |
| Pages of publication | 11119 - 11127 |
| a | 12.1161 ± 0.0005 Å |
| b | 29.0903 ± 0.0012 Å |
| c | 11.0501 ± 0.0005 Å |
| α | 90° |
| β | 92.127 ± 0.002° |
| γ | 90° |
| Cell volume | 3892 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0732 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1035 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236400 (current) | 2019-11-24 | cif/ Adding structures of 1553996 via cif-deposit CGI script. |
1553996.cif |
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Users of the data should acknowledge the original authors of the
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