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Information card for entry 4349539
Preview
| Coordinates | 4349539.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 3 |
|---|---|
| Chemical name | 9H-carbazole-3,6-dicarboxylic acid |
| Formula | C209 H144 Cu12 N25 O72 |
| Calculated formula | C209 H144 Cu12 N25 O72 |
| Title of publication | CO2 capture in a carbazole-based supramolecular polyhedron structure: the significance of Cu(ii) open metal sites |
| Authors of publication | López-Olvera, Alfredo; Sánchez-González, Elí; Campos-Reales-Pineda, Alberto; Aguilar-Granda, Andrés; Ibarra, Ilich A.; Rodríguez-Molina, Braulio |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 56 |
| a | 23.2945 ± 0.0018 Å |
| b | 27.293 ± 0.002 Å |
| c | 23.8874 ± 0.0019 Å |
| α | 90° |
| β | 99.429 ± 0.002° |
| γ | 90° |
| Cell volume | 14982 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.2271 |
| Residual factor for significantly intense reflections | 0.1186 |
| Weighted residual factors for significantly intense reflections | 0.3171 |
| Weighted residual factors for all reflections included in the refinement | 0.3614 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.576 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234866 (current) | 2019-11-23 | cif/ Adding structures of 4349539 via cif-deposit CGI script. |
4349539.cif |
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