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Information card for entry 2229255
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| Coordinates | 2229255.cif |
|---|---|
| Structure factors | 2229255.hkl |
| Original IUCr paper | HTML |
| Chemical name | {2-Morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc(II) |
|---|---|
| Formula | C15 H19 N5 O S2 Zn |
| Calculated formula | C15 H19 N5 O S2 Zn |
| SMILES | [Zn]12([n]3ccccc3C(=[N]1CC[N]12CCOCC1)C)(N=C=S)N=C=S |
| Title of publication | {2-Morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc(II) |
| Authors of publication | Suleiman Gwaram, Nura; Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m131 |
| a | 9.9203 ± 0.0002 Å |
| b | 13.5659 ± 0.0002 Å |
| c | 14.6957 ± 0.0002 Å |
| α | 112.702 ± 0.001° |
| β | 91.471 ± 0.001° |
| γ | 94.356 ± 0.001° |
| Cell volume | 1815.97 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0337 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181213 (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 2/22/92. |
2229255.cif 2229255.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. |
2229255.cif 2229255.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229255.cif 2229255.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. | 2229255.cif 2229255.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229255.cif 2229255.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229255.cif 2229255.hkl |
| 12347 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229255 via cif-deposit CGI script. |
2229255.cif |
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Users of the data should acknowledge the original authors of the
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