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Information card for entry 2238548
Preview
| Coordinates | 2238548.cif |
|---|---|
| Structure factors | 2238548.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(4-aminopyridine){2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) nitrate |
|---|---|
| Formula | C30 H26 Co N7 O5 |
| Calculated formula | C30 H26 Co N7 O5 |
| SMILES | [Co]123(Oc4c(C=[N]2c2ccccc2[N]3=Cc2ccccc2O1)cccc4)([n]1ccc(N)cc1)[n]1ccc(N)cc1.O=N(=O)[O-] |
| Title of publication | Bis(4-aminopyridine){2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) nitrate |
| Authors of publication | Dharmalingam, Sivanesan; Yoon, Sungho |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | m495 - m496 |
| a | 13.072 ± 0.003 Å |
| b | 15.136 ± 0.003 Å |
| c | 17.192 ± 0.006 Å |
| α | 90° |
| β | 125.14 ± 0.02° |
| γ | 90° |
| Cell volume | 2781.6 ± 1.5 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 | 0.1646 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.0592 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.707 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238548.cif 2238548.hkl |
| 181307 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/85. |
2238548.cif 2238548.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238548.cif 2238548.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238548.cif 2238548.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238548.cif 2238548.hkl |
| 88688 | 2013-10-02 | cif/ Adding structures of 2238548 via cif-deposit CGI script. |
2238548.cif |
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Users of the data should acknowledge the original authors of the
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