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Information card for entry 2022994
Preview
| Coordinates | 2022994.cif |
|---|---|
| Structure factors | 2022994.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(dimethyl sulfoxide)tetrakis(μ-pyrene-1-carboxylato)dicopper(<i>Cu</i>—<i>Cu</i>) |
|---|---|
| Formula | C72 H48 Cu2 O10 S2 |
| Calculated formula | C72 H48 Cu2 O10 S2 |
| Title of publication | New copper carboxyl-ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization. |
| Authors of publication | Nogué-Guzmán, Vianca C; Burgos-Suazo, Alejandro; Rivera-Reyes, Javier O; Montes Quiñones, Vasti P; Ramis-Aybar, Paola C; Burgos-Jiménez, Adriana C; González-Nieves, Karilys; Piñero-Cruz, Dalice M |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 1 |
| Pages of publication | 1 - 9 |
| a | 10.5283 ± 0.0001 Å |
| b | 11.8583 ± 0.0002 Å |
| c | 11.9401 ± 0.0001 Å |
| α | 101.044 ± 0.001° |
| β | 98.136 ± 0.001° |
| γ | 104.142 ± 0.001° |
| Cell volume | 1390.69 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.033 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289694 (current) | 2024-02-05 | cif/ Updating files of 2022994, 2022995 Original log message: Adding full bibliography for 2022994--2022995.cif. |
2022994.cif 2022994.hkl |
| 288591 | 2024-01-01 | cif/ hkl/ Adding structures of 2022994, 2022995 via cif-deposit CGI script. |
2022994.cif 2022994.hkl |
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Users of the data should acknowledge the original authors of the
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