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Information card for entry 1571243
Preview
| Coordinates | 1571243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H36 Cu N8 O8 |
|---|---|
| Calculated formula | C38 H36 Cu N8 O8 |
| SMILES | [Cu]([n]1c[nH]cc1CNc1cc(ccc1c1ncc(cc1)C(=O)OC)C(=O)OC)[n]1c[nH]cc1CNc1cc(ccc1c1ncc(cc1)C(=O)OC)C(=O)OC |
| Title of publication | Enabling a bioinspired <i>N</i>,<i>N</i>,<i>N</i>-copper coordination motif through spatial control in UiO-67: synthesis and reactivity. |
| Authors of publication | Gerz, Isabelle; Aunan, Erlend S.; Finelli, Valeria; Abu Rasheed, Mouhammad; Deplano, Gabriele; Cortez S P, Rafael; Schmidtke, Inga L.; Wragg, David S.; Signorile, Matteo; Hylland, Knut T.; Borfecchia, Elisa; Lillerud, Karl Petter; Bordiga, Silvia; Olsbye, Unni; Amedjkouh, Mohamed |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 19 |
| Pages of publication | 8141 - 8153 |
| a | 7.0232 ± 0.0012 Å |
| b | 13.372 ± 0.002 Å |
| c | 20.612 ± 0.003 Å |
| α | 95.02 ± 0.007° |
| β | 91.808 ± 0.009° |
| γ | 100.397 ± 0.009° |
| Cell volume | 1894.5 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1283 |
| Residual factor for significantly intense reflections | 0.1064 |
| Weighted residual factors for significantly intense reflections | 0.2336 |
| Weighted residual factors for all reflections included in the refinement | 0.2436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293059 (current) | 2024-07-05 | cif/ Updating files of 1571241, 1571242, 1571243 Original log message: Adding full bibliography for 1571241--1571243.cif. |
1571243.cif |
| 290467 | 2024-03-13 | cif/ Adding structures of 1571241, 1571242, 1571243 via cif-deposit CGI script. |
1571243.cif |
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