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Information card for entry 7216632
Preview
| Coordinates | 7216632.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H10 N2 O3 |
|---|---|
| Calculated formula | C13 H10 N2 O3 |
| SMILES | c1ccc(cn1)C(=O)Nc1ccc(cc1)C(=O)O |
| Title of publication | Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions |
| Authors of publication | Paul, Mithun; Dastidar, Parthasarathi |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 33 |
| Pages of publication | 7815 |
| a | 9.4072 ± 0.0003 Å |
| b | 12.735 ± 0.0003 Å |
| c | 17.8919 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2143.46 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0965 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1295 |
| Weighted residual factors for all reflections included in the refinement | 0.1543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7216632.cif |
| 121620 | 2014-08-08 | cif/ Updating files of 7216620, 7216621, 7216622, 7216623, 7216624, 7216625, 7216626, 7216627, 7216628, 7216629, 7216630, 7216631, 7216632 Original log message: Adding full bibliography for 7216620--7216632.cif. |
7216632.cif |
| 117678 | 2014-06-15 | cif/ Adding structures of 7216620, 7216621, 7216622, 7216623, 7216624, 7216625, 7216626, 7216627, 7216628, 7216629, 7216630, 7216631, 7216632 via cif-deposit CGI script. |
7216632.cif |
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Users of the data should acknowledge the original authors of the
structural data.