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Information card for entry 7201141
Preview
| Coordinates | 7201141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H48 Cl4 N2 Pd |
|---|---|
| Calculated formula | C36 H48 Cl4 N2 Pd |
| SMILES | [N+](CC)(CC)(Cc1ccccc1)Cc1ccccc1.Cl[Pd](Cl)([Cl-])[Cl-].[N+](CC)(CC)(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts |
| Authors of publication | Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 2344 |
| a | 8.534 ± 0.0017 Å |
| b | 10.496 ± 0.002 Å |
| c | 10.809 ± 0.002 Å |
| α | 67.6 ± 0.03° |
| β | 75.21 ± 0.03° |
| γ | 79.37 ± 0.03° |
| Cell volume | 861.4 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180342 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/11. |
7201141.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201141.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201141.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201141.cif |
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Users of the data should acknowledge the original authors of the
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