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Information card for entry 7032581
Preview
| Coordinates | 7032581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H7 N2 O2.5 |
|---|---|
| Calculated formula | C8 H7 N2 O2.5 |
| SMILES | [nH]1ncc2cccc(c12)C(=O)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 | 4.9524 ± 0.0007 Å |
| b | 10.9756 ± 0.0009 Å |
| c | 14.6313 ± 0.0015 Å |
| α | 81.698 ± 0.008° |
| β | 83.854 ± 0.01° |
| γ | 78.805 ± 0.009° |
| Cell volume | 769.42 ± 0.15 Å3 |
| Cell temperature | 120.01 ± 0.1 K |
| Ambient diffraction temperature | 120.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193656 (current) | 2017-03-04 | cif/7: Fixing Z values and formulae |
7032581.cif |
| 180031 | 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. |
7032581.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. |
7032581.cif |
| 123907 | 2014-09-17 | cif/ Adding structures of 7032579, 7032580, 7032581, 7032582, 7032583, 7032584, 7032585 via cif-deposit CGI script. |
7032581.cif |
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Users of the data should acknowledge the original authors of the
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