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Information card for entry 7206154
Preview
| Coordinates | 7206154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | N,N'-(o-phenylene)bis(4-decyloxysalicylideneiminato)nickel(ii) |
|---|---|
| Chemical name | N,N'-(o-phenylene)bis(4-decyloxysalicylideneiminato)nickel(II) |
| Formula | C40 H54 N2 Ni O4 |
| Calculated formula | C40 H54 N2 Ni O4 |
| SMILES | [Ni]123Oc4c(C=[N]3c3c([N]2=Cc2c(O1)cc(OCCCCCCCCCC)cc2)cccc3)ccc(OCCCCCCCCCC)c4 |
| 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 | 14.94 ± 0.006 Å |
| b | 5.532 ± 0.002 Å |
| c | 42.014 ± 0.002 Å |
| α | 90° |
| β | 90.754 ± 0.007° |
| γ | 90° |
| Cell volume | 3472.1 ± 1.9 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1352 |
| Residual factor for significantly intense reflections | 0.1134 |
| Weighted residual factors for significantly intense reflections | 0.2199 |
| Weighted residual factors for all reflections included in the refinement | 0.2304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.257 |
| 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. |
7206154.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206154.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206154.cif |
| 23530 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206152, 7206153, 7206154 via cif-deposit CGI script. |
7206154.cif |
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