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Information card for entry 1570263
Preview
| Coordinates | 1570263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H198 K2 N2 O31 Si6 U2 |
|---|---|
| Calculated formula | C90 H198 K2 N2 O31 Si6 U2 |
| SMILES | [U]1([O]([K]234[O]([Si](O[U](O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O]2[Si](OC(C)(C)C)(OC(C)(C)C)[O]3C(C)(C)C)[O]14)(OC(C)(C)C)OC(C)(C)C)C(C)(C)C)[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)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.[K]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]4CC[O]5CC9 |
| Title of publication | Dinitrogen cleavage by a dinuclear uranium(iii) complex. |
| Authors of publication | Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 46 |
| Pages of publication | 13485 - 13494 |
| a | 14.1169 ± 0.0007 Å |
| b | 42.662 ± 0.004 Å |
| c | 21.4737 ± 0.0017 Å |
| α | 90° |
| β | 103.007 ± 0.007° |
| γ | 90° |
| Cell volume | 12600.8 ± 1.7 Å3 |
| Cell temperature | 140.01 ± 0.1 K |
| Ambient diffraction temperature | 140.01 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2142 |
| Residual factor for significantly intense reflections | 0.1184 |
| Weighted residual factors for significantly intense reflections | 0.2749 |
| Weighted residual factors for all reflections included in the refinement | 0.3568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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 |
|---|---|---|---|
| 288738 (current) | 2024-01-06 | cif/ Updating files of 1570263, 1570264, 1570265, 1570266, 1570267 Original log message: Adding full bibliography for 1570263--1570267.cif. |
1570263.cif |
| 287444 | 2023-11-07 | cif/ Adding structures of 1570263, 1570264, 1570265, 1570266, 1570267 via cif-deposit CGI script. |
1570263.cif |
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Users of the data should acknowledge the original authors of the
structural data.