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Information card for entry 2240480
Preview
| Coordinates | 2240480.cif |
|---|---|
| Structure factors | 2240480.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{μ-4-methyl-<i>N</i>'-[3-(oxidoimino)butan-2-ylidene]benzenesulfonohydrazidato}-κ^4^<i>O</i>,<i>N</i>,<i>N</i>':<i>O</i>';κ^4^<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>'-bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)] |
|---|---|
| Formula | C26 H38 Cu2 N6 O8 S4 |
| Calculated formula | C26 H38 Cu2 N6 O8 S4 |
| SMILES | C1(C(=[N]2O[Cu]34([N](=C(C(=[N]3O[Cu]32([N]=1N=S(O3)(c1ccc(cc1)C)=O)[O]=S(C)C)C)C)N=S(c1ccc(cc1)C)(=O)O4)[O]=S(C)C)C)C |
| Title of publication | Crystal structure of bis{μ-4-methyl-<i>N</i>'-[3-(oxidoimino)butan-2-ylidene]benzenesulfonohydrazidato}bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)] |
| Authors of publication | Siqueira, Diego Pereira; Siqueira, Maria Carolina Bulhosa; Gervini, Vanessa Carratu; Bresolin, Leandro; de Oliveira, Adriano Bof |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | m316 - m317 |
| a | 7.8097 ± 0.0003 Å |
| b | 8.467 ± 0.0003 Å |
| c | 15.1586 ± 0.0006 Å |
| α | 74.656 ± 0.002° |
| β | 75.955 ± 0.002° |
| γ | 65.042 ± 0.002° |
| Cell volume | 866.46 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0424 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240480.cif 2240480.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240480.cif 2240480.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240480.cif 2240480.hkl |
| 133648 | 2015-03-08 | cif/ hkl/ Adding structures of 2240480 via cif-deposit CGI script. |
2240480.cif 2240480.hkl |
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Users of the data should acknowledge the original authors of the
structural data.