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Information card for entry 7202599
Preview
| Coordinates | 7202599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35.66667 H35.66667 Cl2 N O3.66667 P2 Pd |
|---|---|
| Calculated formula | C35.6667 H35.6667 Cl2 N O3.66667 P2 Pd |
| SMILES | C1N(C[P](c2ccccc2)(c2ccccc2)[Pd]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl)c1ccc(cc1C(=O)O)O.O(CC)CC |
| Title of publication | Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes |
| Authors of publication | Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N. |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 165 |
| a | 28.5307 ± 0.0004 Å |
| b | 31.9677 ± 0.0006 Å |
| c | 12.612 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11502.9 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0805 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208944 (current) | 2018-07-10 | Fixing several Z values and formula |
7202599.cif |
| 180356 | 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 7/20/25. |
7202599.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202599.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202599.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202599.cif |
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