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Information card for entry 2022916
Preview
| Coordinates | 2022916.cif |
|---|---|
| Structure factors | 2022916.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diacetatobis[4-(2-aminoethyl)morpholine]cadmium tetrahydrate |
|---|---|
| Formula | C16 H42 Cd N4 O10 |
| Calculated formula | C16 H42 Cd N4 O10 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of di-acetato-bis-[4-(2-amino-eth-yl)morpholine]cadmium tetra-hydrate. |
| Authors of publication | Chidambaranathan, B.; Sivaraj, S.; Vijayamathubalan, P.; Selvakumar, S. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 1049 - 1054 |
| a | 8.8639 ± 0.0004 Å |
| b | 9.1035 ± 0.0005 Å |
| c | 9.2106 ± 0.0005 Å |
| α | 66.004 ± 0.002° |
| β | 73.603 ± 0.002° |
| γ | 70.161 ± 0.002° |
| Cell volume | 629.63 ± 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 | 0.0225 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.0556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288134 (current) | 2023-12-07 | cif/ Updating files of 2022916 Original log message: Adding full bibliography for 2022916.cif. |
2022916.cif 2022916.hkl |
| 287046 | 2023-10-20 | cif/ hkl/ Adding structures of 2022916 via cif-deposit CGI script. |
2022916.cif 2022916.hkl |
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Users of the data should acknowledge the original authors of the
structural data.