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Information card for entry 1552193
Preview
Coordinates | 1552193.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H108 N6 O3 Si12 U3 |
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Calculated formula | C36 H108 N6 O3 Si12 U3 |
SMILES | [U]1(O[U](O[U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)O1)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C |
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 | 12.4529 ± 0.0004 Å |
b | 21.71 ± 0.0006 Å |
c | 26.886 ± 0.0007 Å |
α | 83.801 ± 0.002° |
β | 78.048 ± 0.003° |
γ | 78.888 ± 0.003° |
Cell volume | 6960.2 ± 0.4 Å3 |
Cell temperature | 140 ± 0.1 K |
Ambient diffraction temperature | 140 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0656 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.0844 |
Weighted residual factors for all reflections included in the refinement | 0.0953 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
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 |
---|---|---|---|
217511 (current) | 2019-08-14 | cif/ Adding structures of 1552189, 1552190, 1552191, 1552192, 1552193, 1552194, 1552195, 1552196 via cif-deposit CGI script. |
1552193.cif |
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Users of the data should acknowledge the original authors of the
structural data.