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Information card for entry 2241519
Preview
| Coordinates | 2241519.cif |
|---|---|
| Structure factors | 2241519.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')bis[2-(4-nitrophenyl)acetato-κ<i>O</i>]cadmium |
|---|---|
| Formula | C22 H32 Cd N6 O8 |
| Calculated formula | C22 H32 Cd N6 O8 |
| SMILES | c1c(ccc(CC(=O)O[Cd]23([NH2]CCC[NH2]2)([NH2]CCC[NH2]3)OC(=O)Cc2ccc(cc2)N(=O)=O)c1)N(=O)=O |
| Title of publication | Crystal structure of bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')bis[2-(4-nitrophenyl)acetato-κ<i>O</i>]cadmium |
| Authors of publication | Rahn, Ian M.; Crawford, Carlos L.; Assefa, Zerihun; Hendrich, Jeffery; Sykora, Richard E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 226 - 228 |
| a | 14.6943 ± 0.0005 Å |
| b | 11.1227 ± 0.0003 Å |
| c | 8.3523 ± 0.0003 Å |
| α | 90° |
| β | 105.778 ± 0.004° |
| γ | 90° |
| Cell volume | 1313.67 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0506 |
| Weighted residual factors for all reflections included in the refinement | 0.0559 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241519.cif 2241519.hkl |
| 181916 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241519.cif 2241519.hkl |
| 174797 | 2016-01-23 | cif/ hkl/ Adding structures of 2241519 via cif-deposit CGI script. |
2241519.cif 2241519.hkl |
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Users of the data should acknowledge the original authors of the
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