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Information card for entry 1567204
Preview
| Coordinates | 1567204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H144 Cs2 N3 O16 Si8 U2 |
|---|---|
| Calculated formula | C60 H144 Cs2 N3 O16 Si8 U2 |
| SMILES | [U](O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(=[N]=[U](O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[Cs+].[Cs+] |
| Title of publication | Nitrogen activation and cleavage by a multimetallic uranium complex. |
| Authors of publication | Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella |
| Journal of publication | Chemical science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 27 |
| Pages of publication | 8025 - 8035 |
| a | 13.707 ± 0.0002 Å |
| b | 13.7678 ± 0.0002 Å |
| c | 29.7454 ± 0.0004 Å |
| α | 94.2273 ± 0.0011° |
| β | 97.0402 ± 0.0012° |
| γ | 117.487 ± 0.0016° |
| Cell volume | 4887.79 ± 0.14 Å3 |
| Cell temperature | 140 ± 0.1 K |
| Ambient diffraction temperature | 140 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277096 (current) | 2022-08-06 | cif/ Updating files of 1567201, 1567202, 1567203, 1567204, 1567205, 1567206, 1567207, 1567208, 1567209, 1567210, 1567211, 1567212 Original log message: Adding full bibliography for 1567201--1567212.cif. |
1567204.cif |
| 276455 | 2022-07-01 | cif/ Adding structures of 1567201, 1567202, 1567203, 1567204, 1567205, 1567206, 1567207, 1567208, 1567209, 1567210, 1567211, 1567212 via cif-deposit CGI script. |
1567204.cif |
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Users of the data should acknowledge the original authors of the
structural data.