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Information card for entry 1552196
Preview
Coordinates | 1552196.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H198 N2 O28 Si6 U2 |
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Calculated formula | C90 H198 N2 O28 Si6 U2 |
SMILES | C12=[O][U]3(N1C(=O)O[U](O2)(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)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)(O[Si](OC(C)(C)C)([O]3C(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.C(CCC)[N+](CCCC)(CCCC)CCCC |
Title of publication | Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands |
Authors of publication | Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 16.9403 ± 0.0002 Å |
b | 40.0672 ± 0.0005 Å |
c | 17.9903 ± 0.0002 Å |
α | 90° |
β | 96.8053 ± 0.0012° |
γ | 90° |
Cell volume | 12124.9 ± 0.2 Å3 |
Cell temperature | 140 ± 0.1 K |
Ambient diffraction temperature | 140 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0766 |
Residual factor for significantly intense reflections | 0.073 |
Weighted residual factors for significantly intense reflections | 0.1878 |
Weighted residual factors for all reflections included in the refinement | 0.1906 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
217511 (current) | 2019-08-14 | cif/ Adding structures of 1552189, 1552190, 1552191, 1552192, 1552193, 1552194, 1552195, 1552196 via cif-deposit CGI script. |
1552196.cif |
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Users of the data should acknowledge the original authors of the
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