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Information card for entry 7234377
Preview
| Coordinates | 7234377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [CuL26a(EtOH)]2CHCl3 |
|---|---|
| Formula | C30 H32 Cl6 Cu N4 O7 |
| Calculated formula | C30 H32 Cl6 Cu N4 O7 |
| SMILES | C1(=C(C=[N]2c3cc4c(cc3[N]3[Cu]2(O1)(OC(=C(C=3)C(=O)OCC)C)[OH]CC)nc1c(cccc1)n4)C(=O)OCC)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Modulation of the ligand-based fluorescence of 3d metal complexes upon spin state change |
| Authors of publication | Charles Lochenie; Kristina G. Wagner; Matthias Karg; Birgit Weber |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 7925 - 7935 |
| a | 8.651 ± 0.001 Å |
| b | 11.798 ± 0.002 Å |
| c | 18.199 ± 0.003 Å |
| α | 71.833 ± 0.011° |
| β | 86.734 ± 0.012° |
| γ | 88.122 ± 0.012° |
| Cell volume | 1761.8 ± 0.5 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.1779 |
| Residual factor for significantly intense reflections | 0.1176 |
| Weighted residual factors for significantly intense reflections | 0.2963 |
| Weighted residual factors for all reflections included in the refinement | 0.3478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234377.cif |
| 219095 | 2019-10-04 | cif/ Adding structures of 7234376, 7234377 via cif-deposit CGI script. |
7234377.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.