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Information card for entry 7245879
Preview
| Coordinates | 7245879.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H60 Cl4 Cu3 I4 N6 O6 |
|---|---|
| Calculated formula | C56 H60 Cl4 Cu3 I4 N6 O6 |
| SMILES | C(=O)(c1c(c(cc(c1)I)I)O)O[Cu]([n]1ccc(cc1)CC)([n]1ccc(CC)cc1)(Cl)[Cl][Cu]([n]1ccc(cc1)CC)([n]1ccc(cc1)CC)[Cl][Cu]([n]1ccc(cc1)CC)([n]1ccc(CC)cc1)(OC(=O)c1c(c(cc(c1)I)I)O)Cl |
| Title of publication | Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers |
| Authors of publication | Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 1 |
| Pages of publication | 130 - 136 |
| a | 32.1635 ± 0.001 Å |
| b | 7.9649 ± 0.0002 Å |
| c | 29.8771 ± 0.001 Å |
| α | 90° |
| β | 123.487 ± 0.005° |
| γ | 90° |
| Cell volume | 6383.4 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298703 (current) | 2025-04-03 | cif/7: Fixing Z values and formulae |
7245879.cif |
| 281404 | 2023-03-04 | cif/ Updating files of 7245877, 7245878, 7245879, 7245880, 7245881, 7245882, 7245883, 7245884, 7245885, 7245886, 7245887, 7245888, 7245889, 7245890 Original log message: Adding full bibliography for 7245877--7245890.cif. |
7245879.cif |
| 279480 | 2022-11-23 | cif/ Adding structures of 7245877, 7245878, 7245879, 7245880, 7245881, 7245882, 7245883, 7245884, 7245885, 7245886, 7245887, 7245888, 7245889, 7245890 via cif-deposit CGI script. |
7245879.cif |
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Users of the data should acknowledge the original authors of the
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