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Information card for entry 7032935
Preview
| Coordinates | 7032935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H40 Cl2 N2 P2 Pd S2 |
|---|---|
| Calculated formula | C50 H40 Cl2 N2 P2 Pd S2 |
| SMILES | c1(cc2c(cc1)N(c1c(cccc1)S2)C)[P]([Pd]([P](c1cc2c(cc1)N(c1c(cccc1)S2)C)(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1 |
| 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 | 8.4526 ± 0.0011 Å |
| b | 10.4377 ± 0.0014 Å |
| c | 12.96 ± 0.0017 Å |
| α | 97.823 ± 0.002° |
| β | 97.519 ± 0.002° |
| γ | 97.248 ± 0.002° |
| Cell volume | 1110.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7032935.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. |
7032935.cif |
| 125923 | 2014-10-28 | cif/ Adding structures of 7032932, 7032933, 7032934, 7032935, 7032936, 7032937 via cif-deposit CGI script. |
7032935.cif |
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Users of the data should acknowledge the original authors of the
structural data.