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Information card for entry 2017826
Preview
| Coordinates | 2017826.cif |
|---|---|
| Structure factors | 2017826.hkl |
| Original IUCr paper | HTML |
| Chemical name | [(<i>E</i>)-4-Allyl-1-(2-oxidobenzylidene)thiosemicarbazidato- κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>][(<i>Z</i>)-4-allyl-2-(2- hydroxybenzylidene)thiosemicarbazide-κ<i>S</i>]copper(II) monohydrate |
|---|---|
| Formula | C22 H26 Cu N6 O3 S2 |
| Calculated formula | C22 H26 Cu N6 O3 S2 |
| Title of publication | The first square-planar copper(II) 1:2 complex with differently coordinated 2-hydroxybenzaldehyde 4-allylthiosemicarbazone ligands |
| Authors of publication | Bon, Vladimir V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m300 - m302 |
| a | 25.763 ± 0.003 Å |
| b | 8.5526 ± 0.0009 Å |
| c | 24.496 ± 0.003 Å |
| α | 90° |
| β | 116.458 ± 0.003° |
| γ | 90° |
| Cell volume | 4832.1 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180847 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/78. |
2017826.cif 2017826.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017826.cif 2017826.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017826.cif 2017826.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. | 2017826.cif 2017826.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017826.cif 2017826.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017826.cif 2017826.hkl |
| 4134 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017826 via cif-deposit CGI script. |
2017826.cif |
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Users of the data should acknowledge the original authors of the
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