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Information card for entry 4503615
Preview
| Coordinates | 4503615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H44 N6 O26 Pd |
|---|---|
| Calculated formula | C56 H44 N6 O26 Pd |
| SMILES | c12cccc[n]1[Pd]1([n]3ccccc3N2)[n]2ccccc2Nc2cccc[n]12.O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O.O=C(c1cc(cc(c1)C(=O)O)C(=O)[O-])O.O.O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O.O=C(O)c1cc(cc(c1)C(=O)O)C(=O)[O-].O |
| Title of publication | Subtle Ligand Effects on the Formation and Behavior of Inorganic Guest−Organic Host Supramolecular System |
| Authors of publication | Kwon, Soon Sik; Cha, Moon Soon; Lee, Ji Eun; Lee, Shim Sung; Jung, Ok-Sang |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 2073 |
| a | 7.6227 ± 0.0005 Å |
| b | 12.3715 ± 0.0007 Å |
| c | 15.6036 ± 0.0009 Å |
| α | 107.911 ± 0.001° |
| β | 103.217 ± 0.001° |
| γ | 95.312 ± 0.001° |
| Cell volume | 1341.84 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.027 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4503615.cif |
| 179571 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/36. |
4503615.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503615.cif |
| 41663 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503615, 4503616, 4503617 via cif-deposit CGI script. |
4503615.cif |
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