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Information card for entry 7111510
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| Coordinates | 7111510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (Pd(pyriimdine)2)(OCOCH3)2 |
|---|---|
| Formula | C12 H14 N4 O4 Pd |
| Calculated formula | C12 H14 N4 O4 Pd |
| SMILES | [Pd]([n]1cnccc1)([n]1cnccc1)(OC(=O)C)OC(=O)C |
| Title of publication | Approaches to crystallization from ionic liquids: complex solvents?complex results, or, a strategy for controlled formation of new supramolecular architectures? |
| Authors of publication | Reichert, W. Matthew; Holbrey, John D.; Vigour, Kate B.; Morgan, Tonya D.; Broker, Grant A.; Rogers, Robin D. |
| Journal of publication | Chemical Communications |
| Year of publication | 2006 |
| Journal issue | 46 |
| Pages of publication | 4767 |
| a | 8.523 ± 0.002 Å |
| b | 7.595 ± 0.002 Å |
| c | 10.564 ± 0.003 Å |
| α | 90° |
| β | 91.224 ± 0.005° |
| γ | 90° |
| Cell volume | 683.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7111510.cif |
| 180229 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15. |
7111510.cif |
| 96554 | 2014-01-29 | cif/ Adding structures of 7111509, 7111510, 7111511, 7111512 via cif-deposit CGI script. |
7111510.cif |
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Users of the data should acknowledge the original authors of the
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