Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019813
Preview
| Coordinates | 2019813.cif |
|---|---|
| Structure factors | 2019813.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ-<i>N</i>,<i>N</i>'-Dibenzyldithiooxamidato-κ<i>N</i>,<i>S</i>:<i>N</i>',<i>S</i>')bis[(η^3^-crotyl)palladium(II)] |
|---|---|
| Formula | C24 H28 N2 Pd2 S2 |
| Calculated formula | C24 H28 N2 Pd2 S2 |
| SMILES | S1C2C(S[Pd]34(C[CH]3=[CH]4C)[N]=2Cc2ccccc2)=[N]([Pd]231[CH](=[CH]2C)C3)Cc1ccccc1 |
| Title of publication | Crystal structure of (μ-N,N′-dibenzyldithiooxamidato-κN,S:N′,S′)bis[(η3-crotyl)palladium(II)] |
| Authors of publication | Bruno, Giuseppe; Lanza, Santo; Giannetto, Antonino; Sacca, Alessandro; Amiri Rudbari, Hadi |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | m40 |
| a | 18.324 ± 0.0002 Å |
| b | 7.166 ± 0.0001 Å |
| c | 19.508 ± 0.0002 Å |
| α | 90° |
| β | 109.341 ± 0.004° |
| γ | 90° |
| Cell volume | 2417.03 ± 0.08 Å3 |
| Cell temperature | 298 ± 1 K |
| Ambient diffraction temperature | 298 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for all reflections included in the refinement | 0.0846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2019813.cif 2019813.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. |
2019813.cif 2019813.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. |
2019813.cif 2019813.hkl |
| 130198 | 2015-01-29 | cif/ hkl/ Adding structures of 2019813 via cif-deposit CGI script. |
2019813.cif 2019813.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.