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Information card for entry 1569085
Preview
| Coordinates | 1569085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ndi-cd-water |
|---|---|
| Formula | C40 H30 Cd N4 O19 |
| Calculated formula | C40 H30 Cd N4 O19 |
| Title of publication | The Electronic Properties of Cadmium Naphthalene Diimide Coordination Complex |
| Authors of publication | Hussain, Wajid; Khan, Maroof Ahmad; Li, Zhongkui; Iqbal, Muhammad Javed; Ilyas, Mubashar; Li, Hui |
| Journal of publication | Molecules |
| Year of publication | 2023 |
| Journal volume | 28 |
| Journal issue | 9 |
| Pages of publication | 3709 |
| a | 24.891 ± 0.002 Å |
| b | 7.3061 ± 0.0007 Å |
| c | 11.7772 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2141.8 ± 0.3 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0326 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283559 (current) | 2023-05-06 | cif/ Adding structures of 1569085 via cif-deposit CGI script. |
1569085.cif |
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