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Information card for entry 4308394
Preview
| Coordinates | 4308394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H42 Cl2 N2 O4 Pd S2 |
|---|---|
| Calculated formula | C40 H42 Cl2 N2 O4 Pd S2 |
| SMILES | O=S(C)C.[Pd](Cl)(Cl)([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)[n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1.S(=O)(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 | 7.6906 ± 0.0003 Å |
| b | 18.5017 ± 0.0008 Å |
| c | 14.5046 ± 0.0005 Å |
| α | 90° |
| β | 106.166 ± 0.002° |
| γ | 90° |
| Cell volume | 1982.24 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0411 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210276 (current) | 2018-09-01 | cif/4/30/ Updating bibliography in entries 4300979-4300988, 4308392-4308401. Marking entries 4300979-4300988 as duplicates of entries 4308392-4308401. |
4308394.cif |
| 179121 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/83. |
4308394.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308394.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308394.cif |
| 32063 | 2012-01-26 | cif/4 Correction of volume and publication year for files coming from a couple of issues of Inorg. Chem. The mistake was made when fetching bibliography for these entries and detected just now. I have checked that all other Inorg. Chem. files are correct. |
4308394.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308394.cif |
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