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Information card for entry 4308393
Preview
| Coordinates | 4308393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H42 Cl2 N2 O4 Pd |
|---|---|
| Calculated formula | C42 H42 Cl2 N2 O4 Pd |
| SMILES | O=C(C)C.[Pd](Cl)(Cl)([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)[n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1.O=C(C)C |
| Title of publication | "Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols |
| Authors of publication | Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 431 - 442 |
| a | 7.2997 ± 0.0009 Å |
| b | 18.591 ± 0.002 Å |
| c | 14.631 ± 0.002 Å |
| α | 90° |
| β | 103.959 ± 0.002° |
| γ | 90° |
| Cell volume | 1926.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0717 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1559 |
| Weighted residual factors for all reflections included in the refinement | 0.1588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.244 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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