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Information card for entry 7032932
Preview
| Coordinates | 7032932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H22 Cl2 N2 Pd S2 |
|---|---|
| Calculated formula | C26 H22 Cl2 N2 Pd S2 |
| SMILES | c1c2c(ccc1)N(c1c(cccc1)[S]2[Pd](Cl)([S]1c2c(cccc2)N(c2c1cccc2)C)Cl)C |
| Title of publication | Tuning the coordination properties of phenothiazine by regioselective introduction of diphenylphosphanyl groups. |
| Authors of publication | Filip, I. H.; Gál, E; Lupan, I.; Perde-Schrepler, M; Lönnecke, P; Surducan, M.; Găină, L I; Hey-Hawkins, E; Silaghi-Dumitrescu, L |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 615 - 629 |
| a | 10.1581 ± 0.0003 Å |
| b | 8.0485 ± 0.0002 Å |
| c | 15.1612 ± 0.0004 Å |
| α | 90° |
| β | 109.362 ± 0.003° |
| γ | 90° |
| Cell volume | 1169.44 ± 0.06 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180035 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/29. |
7032932.cif |
| 131008 | 2015-02-04 | cif/ Updating files of 7032932, 7032933, 7032934, 7032935, 7032936, 7032937 Original log message: Adding full bibliography for 7032932--7032937.cif. |
7032932.cif |
| 125923 | 2014-10-28 | cif/ Adding structures of 7032932, 7032933, 7032934, 7032935, 7032936, 7032937 via cif-deposit CGI script. |
7032932.cif |
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Users of the data should acknowledge the original authors of the
structural data.