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Information card for entry 2241390
Preview
| Coordinates | 2241390.cif |
|---|---|
| Structure factors | 2241390.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>]zinc(II) |
|---|---|
| Formula | C22 H32 N6 O8 Zn |
| Calculated formula | C22 H32 N6 O8 Zn |
| SMILES | c1c(ccc(CC(=O)O[Zn]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>]zinc(II) |
| Authors of publication | Roberts, T. J.; Mehari, T. F.; Assefa, Z.; Hamby, T.; Sykora, R. E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | m240 - m241 |
| a | 14.3933 ± 0.0018 Å |
| b | 11.0261 ± 0.0014 Å |
| c | 8.2453 ± 0.0011 Å |
| α | 90° |
| β | 105.119 ± 0.013° |
| γ | 90° |
| Cell volume | 1263.3 ± 0.3 Å3 |
| Cell temperature | 180 ± 0.1 K |
| Ambient diffraction temperature | 180 ± 0.1 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 | 0.0454 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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. |
2241390.cif 2241390.hkl |
| 181914 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241390.cif 2241390.hkl |
| 171472 | 2015-12-13 | cif/ hkl/ Adding structures of 2241390 via cif-deposit CGI script. |
2241390.cif 2241390.hkl |
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Users of the data should acknowledge the original authors of the
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