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Information card for entry 2235794
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| Coordinates | 2235794.cif |
|---|---|
| Structure factors | 2235794.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis({<i>N</i>'-[(<i>E</i>)- phenyl(pyridin-2-ylκ<i>N</i>)methylidene]benzohydrazidato- κ^2^<i>N</i>',<i>O</i>}copper(II)) |
|---|---|
| Formula | C42 H34 Cu2 N6 O6 |
| Calculated formula | C42 H34 Cu2 N6 O6 |
| SMILES | c1cc2C(c3ccccc3)=[N]3[Cu]4([n]2cc1)(OC(=N3)c1ccccc1)[O](C(=O)C)[Cu]12([N](=C(c3cccc[n]13)c1ccccc1)N=C(O2)c1ccccc1)[O]4C(=O)C |
| Title of publication | Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis({<i>N</i>'-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]benzohydrazidato-κ^2^<i>N</i>',<i>O</i>}copper(II)) |
| Authors of publication | Vineetha, M. C.; Sithambaresan, M.; Jacob, Jinsa Mary; Kurup, M. R. Prathapachandra |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1086 - m1087 |
| a | 9.5758 ± 0.0003 Å |
| b | 13.1009 ± 0.0004 Å |
| c | 15.2124 ± 0.0005 Å |
| α | 90° |
| β | 100.718 ± 0.001° |
| γ | 90° |
| Cell volume | 1875.13 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0302 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181279 (current) | 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 2/23/57. |
2235794.cif 2235794.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. |
2235794.cif 2235794.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235794.cif 2235794.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. | 2235794.cif 2235794.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235794.cif 2235794.hkl |
| 65821 | 2012-09-06 | cif/ Adding structures of 2235794 via cif-deposit CGI script. |
2235794.cif |
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Users of the data should acknowledge the original authors of the
structural data.