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Information card for entry 1512814
Preview
| Coordinates | 1512814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H44 Br4 Co2 N8 O8 |
|---|---|
| Calculated formula | C56 H44 Br4 Co2 N8 O8 |
| SMILES | Brc1ccc(C(=O)O[Co]2(OC(=O)c3ccc(Br)cc3)[n]3ccn(c3)Cc3ccc(cc3)Cn3c[n]([Co](OC(=O)c4ccc(Br)cc4)(OC(=O)c4ccc(Br)cc4)[n]4cn(cc4)Cc4ccc(cc4)Cn4c[n]2cc4)cc3)cc1 |
| Title of publication | Ligand-controlled assembly of cobalt(II) metal-organic complexes from different semirigid bis(imidazole) derivatives and aromatic monocarboxylates: Electrochemical behaviors and fluorescent properties |
| Authors of publication | Lian-Li Liu; Jing-Jing Huang; Xiu-Li Wang; Guo-Cheng Liu; Song Yang; Hong-Yan Lin |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 394 |
| Pages of publication | 715 - 722 |
| a | 10.076 ± 0.002 Å |
| b | 12.75 ± 0.003 Å |
| c | 13.189 ± 0.003 Å |
| α | 64.037 ± 0.003° |
| β | 80.602 ± 0.003° |
| γ | 68.594 ± 0.003° |
| Cell volume | 1418.3 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.077 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1714 |
| Weighted residual factors for all reflections included in the refinement | 0.1839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1512814.cif |
| 176729 | 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 1. |
1512814.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512814.cif |
| 90958 | 2013-11-21 | cif/ Adding structures of 1512814 via cif-deposit CGI script. |
1512814.cif |
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