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Information card for entry 7056860
Preview
Coordinates | 7056860.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H28 Br4 N4 O14 U2 |
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Calculated formula | C38 H28 Br4 N4 O14 U2 |
SMILES | c1cc(cc(c2cc(ccn2)Br)n1)Br.O=[U]12([O]=C(O1)c1ccccc1)(=O)[O]1[O]2[U]21(=O)(=O)[O]=C(O2)c1ccccc1.O=C(=O)C.c1cc(cc(c2cc(ccn2)Br)n1)Br.O=C(=O)C |
Title of publication | Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl‒peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands |
Authors of publication | Ridenour, J. August; Cahill, Christopher L. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 3 |
Pages of publication | 1816 |
a | 10.521 ± 0.004 Å |
b | 10.766 ± 0.005 Å |
c | 11.35 ± 0.004 Å |
α | 95.865 ± 0.005° |
β | 105.083 ± 0.004° |
γ | 116.297 ± 0.003° |
Cell volume | 1077.2 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0325 |
Residual factor for significantly intense reflections | 0.0257 |
Weighted residual factors for significantly intense reflections | 0.0557 |
Weighted residual factors for all reflections included in the refinement | 0.0577 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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