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Information card for entry 2239858
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| Coordinates | 2239858.cif |
|---|---|
| Structure factors | 2239858.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Di-μ-hydroxido-bis{[<i>N</i>,<i>N</i>'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato(1-)]zinc} |
|---|---|
| Formula | C42 H52 N4 O2 Zn2 |
| Calculated formula | C42 H52 N4 O2 Zn2 |
| SMILES | C1(=CC(C)=[N](c2c(cccc2C)C)[Zn]2(N1c1c(cccc1C)C)[OH][Zn]1([N](=C(C=C(C)N1c1c(cccc1C)C)C)c1c(cccc1C)C)[OH]2)C |
| Title of publication | Crystal structure of di-μ-hydroxido-bis{[<i>N</i>,<i>N</i>'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato(1‒)]zinc} |
| Authors of publication | Goodner, Joshua A.; Powers, Brandon J.; Powell, Douglas R.; Yang, Lei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | m320 - m321 |
| a | 12.8736 ± 0.0004 Å |
| b | 8.7682 ± 0.0003 Å |
| c | 17.453 ± 0.0005 Å |
| α | 90° |
| β | 105.222 ± 0.002° |
| γ | 90° |
| Cell volume | 1900.95 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0297 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181898 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239858.cif 2239858.hkl |
| 181317 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/98. |
2239858.cif 2239858.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239858.cif 2239858.hkl |
| 121840 | 2014-08-10 | cif/ hkl/ Adding structures of 2239858 via cif-deposit CGI script. |
2239858.cif 2239858.hkl |
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Users of the data should acknowledge the original authors of the
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