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Information card for entry 4503224
Preview
| Coordinates | 4503224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | [bis{2,2'-bipyridine-4,4'-diol}copper(II)] nitrate hydrate |
|---|---|
| Formula | C20 H18 Cu N6 O11 |
| Calculated formula | C20 H18 Cu N6 O11 |
| SMILES | [Cu]12([n]3c(c4[n]1ccc(O)c4)cc(O)cc3)[n]1c(c3[n]2ccc(O)c3)cc(O)cc1.O=N(=O)[O-].O=N(=O)[O-].O |
| Title of publication | New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites |
| Authors of publication | Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 2 |
| Pages of publication | 643 |
| a | 7.0604 ± 0.0008 Å |
| b | 11.1943 ± 0.0012 Å |
| c | 15.5157 ± 0.0016 Å |
| α | 100.739 ± 0.002° |
| β | 93.515 ± 0.002° |
| γ | 108.297 ± 0.002° |
| Cell volume | 1134.4 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0714 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.8464 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4503224.cif |
| 179563 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/32. |
4503224.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503224.cif |
| 41426 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503221, 4503222, 4503223, 4503224, 4503225, 4503226, 4503227 via cif-deposit CGI script. |
4503224.cif |
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Users of the data should acknowledge the original authors of the
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