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Information card for entry 7053075
Preview
| Coordinates | 7053075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H16 Co O8 |
|---|---|
| Calculated formula | C21 H16 Co O8 |
| SMILES | [Co]12([O]=C3C(O1)=CC(=O)c1ccccc31)([O]=C1C(O2)=CC(=O)c2ccccc12)([OH]C)[OH2] |
| Title of publication | Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand |
| Authors of publication | Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2013 |
| Journal volume | 37 |
| Journal issue | 8 |
| Pages of publication | 2303 |
| a | 7.076 ± 0.003 Å |
| b | 8.7129 ± 0.0011 Å |
| c | 15.6143 ± 0.0019 Å |
| α | 86.398 ± 0.015° |
| β | 76.694 ± 0.012° |
| γ | 81.384 ± 0.01° |
| Cell volume | 925.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2201 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053075.cif |
| 180084 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30. |
7053075.cif |
| 87711 | 2013-08-27 | cif/ Adding structures of 7053075, 7053076, 7053077, 7053078, 7053079, 7053080 via cif-deposit CGI script. |
7053075.cif |
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Users of the data should acknowledge the original authors of the
structural data.