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Information card for entry 2228652
Preview
| Coordinates | 2228652.cif |
|---|---|
| Structure factors | 2228652.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[3-(dimethylamino)propyliminomethyl]-6-methoxyphenolato}- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^;κ^2^<i>N</i>,<i>O</i>^1^-zinc(II) dihydrate |
|---|---|
| Formula | C26 H42 N4 O6 Zn |
| Calculated formula | C26 H42 N4 O6 Zn |
| SMILES | [Zn]123(Oc4c(OC)cccc4C=[N]1CCC[N]2(C)C)Oc1c(OC)cccc1C=[N]3CCCN(C)C.O.O |
| Title of publication | Bis{2-[3-(dimethylamino)propyliminomethyl]-6-methoxyphenolato}-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^;κ^2^<i>N</i>,<i>O</i>^1^-zinc(II) dihydrate |
| Authors of publication | Lin, Hong; Wang, Xiao-Juan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m90 |
| a | 14.982 ± 0.003 Å |
| b | 9.4411 ± 0.0019 Å |
| c | 20.384 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2883.2 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181207 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/86. |
2228652.cif 2228652.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228652.cif 2228652.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228652.cif 2228652.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228652.cif 2228652.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228652.cif 2228652.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228652.cif 2228652.hkl |
| 9782 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228652 via cif-deposit CGI script. |
2228652.cif |
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Users of the data should acknowledge the original authors of the
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