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Information card for entry 4510275
Preview
| Coordinates | 4510275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H20 Cu N8 O4 P2 |
|---|---|
| Calculated formula | C20 H20 Cu N8 O4 P2 |
| SMILES | c1cccc2[n]1[Cu]134(OP(=O)(N2)Nc2cccc[n]12)OP(=O)(Nc1cccc[n]41)Nc1cccc[n]31 |
| Title of publication | Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]− |
| Authors of publication | Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 4 |
| Pages of publication | 1701 |
| a | 19.418 ± 0.003 Å |
| b | 19.418 ± 0.003 Å |
| c | 25.392 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9574 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 142 |
| Hermann-Mauguin space group symbol | I 41/a c d :2 |
| Hall space group symbol | -I 4bd 2c |
| Residual factor for all reflections | 0.0375 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0771 |
| Weighted residual factors for all reflections included in the refinement | 0.0856 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4510275.cif |
| 271475 | 2021-12-16 | cif/4: Fixing some Z values and formulae |
4510275.cif |
| 179649 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02. |
4510275.cif |
| 109008 | 2014-04-07 | cif/ Adding structures of 4510275 via cif-deposit CGI script. |
4510275.cif |
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Users of the data should acknowledge the original authors of the
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