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Information card for entry 7204830
Preview
| Coordinates | 7204830.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C70 H98 Cl6 N2 O8 Pd |
|---|---|
| Calculated formula | C70 H98 Cl6 N2 O8 Pd |
| SMILES | C1(O[Pd]2([N](=C(C=1)C)c1ccc(OC(=O)c3ccc(OCCCCCCCCCCCCCCCC)cc3)cc1)[N](=C(C=C(C)O2)C)c1ccc(OC(=O)c2ccc(OCCCCCCCCCCCCCCCC)cc2)cc1)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Rodlike metallomesogens containing nickel(II), palladium(II) and copper(II) based on novel enaminoketonato ligands |
| Authors of publication | Carsten P. Roll; Alexander G. Martin; Helmar Görls; Guido Leibeling; Daniel Guillon; Bertrand Donnio; Wolfgang Weigand |
| Journal of publication | J. Mater. Chem. |
| Year of publication | 2004 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 1722 - 1730 |
| a | 7.5241 ± 0.0004 Å |
| b | 9.2447 ± 0.0009 Å |
| c | 25.918 ± 0.003 Å |
| α | 91.226 ± 0.003° |
| β | 90.943 ± 0.006° |
| γ | 94.782 ± 0.005° |
| Cell volume | 1795.8 ± 0.3 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1434 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.121 |
| Weighted residual factors for all reflections included in the refinement | 0.1321 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.759 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7204830.cif |
| 180379 | 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 7/20/48. |
7204830.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204830.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204830.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204830.cif |
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Users of the data should acknowledge the original authors of the
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