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Information card for entry 7002733
Preview
| Coordinates | 7002733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H21 Cl Cu N10 O4 |
|---|---|
| Calculated formula | C11 H21 Cl Cu N10 O4 |
| SMILES | [Cu]123(n4nnnc4c4ncccn4)[N](CC[NH2]2)(CC[NH2]3)CC[NH2]1.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Influence of metal ions, coligands and reaction conditions on the structural versatility and properties of 5-pyrimidyl-tetrazolate containing complexes |
| Authors of publication | Rodríguez-Diéguez, Antonio; Mota, Antonio J.; Seco, José M.; Palacios, María A.; Romerosa, Antonio; Colacio, Enrique |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 43 |
| Pages of publication | 9578 - 9586 |
| a | 15.2828 ± 0.0005 Å |
| b | 7.8531 ± 0.0003 Å |
| c | 15.2177 ± 0.0005 Å |
| α | 90° |
| β | 108.555 ± 0.001° |
| γ | 90° |
| Cell volume | 1731.45 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0324 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.0804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7002733.cif |
| 179731 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/27. |
7002733.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002733.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002733.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002733.cif |
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