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Information card for entry 4325848
Preview
| Coordinates | 4325848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H16 Cl2 O3 Pd S2 |
|---|---|
| Calculated formula | C13 H16 Cl2 O3 Pd S2 |
| SMILES | [Pd]1(Cl)(Cl)[S]2CCOc3c(OCC[S]1CC2)cc(cc3)C=O |
| Title of publication | Macrocyclic Complexes of Palladium(II) with Benzothiacrown Ethers: Synthesis, Characterization, and Structure ofcisandtransIsomers |
| Authors of publication | Svetlana N. Dmitrieva; Natalia I. Sidorenko; Nikolay A. Kurchavov; Artem I. Vedernikov; Alexandra Ya. Freidzon; Lyudmila G. Kuz'mina; Aleksei K. Buryak; Tat'yana M. Buslaeva; Alexander A. Bagatur'yants; Yuri A. Strelenko; Judith A. K. Howard; Sergey P. Gromov |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 7500 - 7510 |
| a | 7.8827 ± 0.0004 Å |
| b | 22.5032 ± 0.0011 Å |
| c | 8.8948 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1577.81 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179361 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58. |
4325848.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325848.cif |
| 46884 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325848 via cif-deposit CGI script. |
4325848.cif |
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Users of the data should acknowledge the original authors of the
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