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Information card for entry 2020776
Preview
| Coordinates | 2020776.cif |
|---|---|
| Structure factors | 2020776.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(μ-diphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis({2-methoxy-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]aniline-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}cobalt(II)) bis(perchlorate) |
|---|---|
| Formula | C62 H58 Cl2 Co2 N6 O18 P2 |
| Calculated formula | C62 H58 Cl2 Co2 N6 O18 P2 |
| Title of publication | Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages |
| Authors of publication | Anjana, S. S.; Varghese, Babu; Prasad, Edamana |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 492 - 497 |
| a | 11.0638 ± 0.0002 Å |
| b | 14.0258 ± 0.0004 Å |
| c | 20.8917 ± 0.0006 Å |
| α | 90° |
| β | 101.59 ± 0.001° |
| γ | 90° |
| Cell volume | 3175.84 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020776.cif 2020776.hkl |
| 199070 | 2017-07-25 | cif/ hkl/ Adding structures of 2020776, 2020777 via cif-deposit CGI script. |
2020776.cif 2020776.hkl |
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Users of the data should acknowledge the original authors of the
structural data.