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Information card for entry 7032583
Preview
| Coordinates | 7032583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Cu N8 O6 |
|---|---|
| Calculated formula | C24 H18 Cu N8 O6 |
| SMILES | [Cu]12([n]3ccccc3n3[n]1c1ccccc1c3)([n]1ccccc1n1[n]2c2ccccc2c1)ON(=O)=O.O=N(=O)[O-] |
| Title of publication | Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry. |
| Authors of publication | Hawes, Chris S.; Kruger, Paul E. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 43 |
| Pages of publication | 16450 - 16458 |
| a | 18.0728 ± 0.0019 Å |
| b | 7.5078 ± 0.0006 Å |
| c | 18.9452 ± 0.0019 Å |
| α | 90° |
| β | 115.277 ± 0.013° |
| γ | 90° |
| Cell volume | 2324.5 ± 0.5 Å3 |
| Cell temperature | 120.01 ± 0.1 K |
| Ambient diffraction temperature | 120.01 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0656 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1354 |
| Weighted residual factors for all reflections included in the refinement | 0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180031 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/25. |
7032583.cif |
| 126451 | 2014-11-06 | cif/ Updating files of 7032579, 7032580, 7032581, 7032582, 7032583, 7032584, 7032585 Original log message: Adding full bibliography for 7032579--7032585.cif. |
7032583.cif |
| 123907 | 2014-09-17 | cif/ Adding structures of 7032579, 7032580, 7032581, 7032582, 7032583, 7032584, 7032585 via cif-deposit CGI script. |
7032583.cif |
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Users of the data should acknowledge the original authors of the
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