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Information card for entry 7240409
Preview
| Coordinates | 7240409.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H30 Cu O4 |
|---|---|
| Calculated formula | C46 H30 Cu O4 |
| Title of publication | Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt) |
| Authors of publication | Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 13.093 ± 0.007 Å |
| b | 5.92 ± 0.004 Å |
| c | 21.808 ± 0.012 Å |
| α | 90° |
| β | 102.07 ± 0.011° |
| γ | 90° |
| Cell volume | 1653 ± 1.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0792 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240409.cif |
| 251199 | 2020-04-28 | cif/ Adding structures of 7240407, 7240408, 7240409, 7240410 via cif-deposit CGI script. |
7240409.cif |
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Users of the data should acknowledge the original authors of the
structural data.