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Information card for entry 8102035
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| Coordinates | 8102035.cif |
|---|---|
| External links | PubChem |
| Chemical name | acetato-μ-N,N'-bis(salicylidene)-3-methyl-3-aza-1,5-pentanediaminocobalt(III) |
|---|---|
| Formula | C23 H28 Co N3 O4 |
| Calculated formula | C23 H28 Co N3 O4 |
| SMILES | [Co]123(OC(=O)C)Oc4ccccc4C=[N]2CCCN(C)CCC[N]3=Cc2ccccc2O1 |
| Title of publication | Crystal structure of acetato-μ-N,N'-bis(salicylidene)-3-methyl- 3-aza-1,5-pentanediaminocobalt(III), Co(C~2~H~3~O~2~)(C~21~H~25~N~3~O~2~) |
| Authors of publication | Xu, S.-P.; Liu, C.-H.; Wang, S.-F. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 409 - 410 |
| a | 9.4 ± 0.004 Å |
| b | 19.203 ± 0.005 Å |
| c | 12.112 ± 0.005 Å |
| α | 90° |
| β | 92.33° |
| γ | 90° |
| Cell volume | 2184.5 ± 1.4 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0866 |
| Residual factor for significantly intense reflections | 0.0657 |
| Weighted residual factors for significantly intense reflections | 0.1836 |
| Weighted residual factors for all reflections included in the refinement | 0.202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102035.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102035.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102035.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102035.cif |
| 12774 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8102035 via cif-deposit CGI script. |
8102035.cif |
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