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Information card for entry 7206153
Preview
| Coordinates | 7206153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | N,N'-(o-phenylene)bis(4- hexyloxysalicylideneiminato)copper(ii) dichloromethane solvate |
|---|---|
| Chemical name | N,N'-(o-phenylene)bis(4-hexyloxysalicylideneiminato)copper(II) dichloromethane solvate |
| Formula | C33 H40 Cl2 Cu N2 O4 |
| Calculated formula | C33 H40 Cl2 Cu N2 O4 |
| SMILES | [Cu]123Oc4c(C=[N]3c3c([N]2=Cc2ccc(OCCCCCC)cc2O1)cccc3)ccc(OCCCCCC)c4.ClCCl |
| Title of publication | Two- and three-dimensional packing diagrams of M(salophen) complexes |
| Authors of publication | Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 14 |
| Pages of publication | 4701 |
| a | 19.521 ± 0.002 Å |
| b | 14.028 ± 0.002 Å |
| c | 12.066 ± 0.003 Å |
| α | 90° |
| β | 99.2 ± 0.02° |
| γ | 90° |
| Cell volume | 3261.7 ± 1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.2237 |
| Residual factor for significantly intense reflections | 0.0862 |
| Weighted residual factors for significantly intense reflections | 0.1913 |
| Weighted residual factors for all reflections included in the refinement | 0.2613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180392 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61. |
7206153.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206153.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206153.cif |
| 23530 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206152, 7206153, 7206154 via cif-deposit CGI script. |
7206153.cif |
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