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Information card for entry 2019861
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| Coordinates | 2019861.cif |
|---|---|
| Structure factors | 2019861.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis[<i>S</i>-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II) |
|---|---|
| Formula | C30 H42 N4 Pd S4 |
| Calculated formula | C30 H42 N4 Pd S4 |
| SMILES | c1cc(C=[N]2N=C(S[Pd]32[N](=Cc2ccc(C)cc2)N=C(S3)SCCCCCC)SCCCCCC)ccc1C |
| Title of publication | Crystal structure of bis[S-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ2N3,S]palladium(II) |
| Authors of publication | Begum, M. Sabina; Howlader, M. Belayet Hossain; Sheikh, M. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | m63 |
| a | 18.3559 ± 0.0011 Å |
| b | 9.6747 ± 0.0005 Å |
| c | 10.3368 ± 0.0006 Å |
| α | 90° |
| β | 116.81 ± 0.002° |
| γ | 90° |
| Cell volume | 1638.37 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0989 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for significantly intense reflections | 0.2136 |
| Weighted residual factors for all reflections included in the refinement | 0.2245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019861.cif 2019861.hkl |
| 180866 | 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 2/01/98. |
2019861.cif 2019861.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. |
2019861.cif 2019861.hkl |
| 131680 | 2015-02-11 | cif/ hkl/ Adding structures of 2019861 via cif-deposit CGI script. |
2019861.cif 2019861.hkl |
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Users of the data should acknowledge the original authors of the
structural data.