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Information card for entry 4337842
Preview
| Coordinates | 4337842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 Cl Cu N4 O3 |
|---|---|
| Calculated formula | C18 H18 Cl Cu N4 O3 |
| SMILES | [Cu]123(Cl)[n]4c(O)cccc4C[N]3(Cc3[n]2c(O)ccc3)Cc2[n]1c(O)ccc2 |
| Title of publication | A 3-Fold-Symmetric Ligand Based on 2-Hydroxypyridine: Regulation of Ligand Binding by Hydrogen Bonding. |
| Authors of publication | Moore, Cameron M.; Quist, David A.; Kampf, Jeff W.; Szymczak, Nathaniel K. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 3278 |
| a | 10.2654 ± 0.0001 Å |
| b | 14.1815 ± 0.0002 Å |
| c | 12.6412 ± 0.0008 Å |
| α | 90° |
| β | 103.818 ± 0.007° |
| γ | 90° |
| Cell volume | 1787.03 ± 0.13 Å3 |
| Cell temperature | 85 K |
| Ambient diffraction temperature | 85 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.25 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| 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. |
4337842.cif |
| 110325 | 2014-04-18 | cod/cif/ (saulius@koala.ibt.lt) Appending periods (".") to author initials in the recently added bibliographies (using 'cif_reformat_pubmed_author_names'). |
4337842.cif |
| 109903 | 2014-04-17 | cif/ Updating files of 4337842, 4337843, 4337844 Original log message: Adding full bibliography for 4337842--4337844.cif. |
4337842.cif |
| 108445 | 2014-04-02 | cif/ Adding structures of 4337842 via cif-deposit CGI script. |
4337842.cif |
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Users of the data should acknowledge the original authors of the
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