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Information card for entry 7039271
Preview
Coordinates | 7039271.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H56 Br2 N4 O4 U |
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Calculated formula | C26 H56 Br2 N4 O4 U |
SMILES | [U](Br)(=O)([O]=C(N(CC(C)C)CC(C)C)N(CC)CC)(Br)(=O)[O]=C(N(CC(C)C)CC(C)C)N(CC)CC |
Title of publication | Selective recognition of uranyl ions from bulk of thorium(iv) and lanthanide(iii) ions by tetraalkyl urea: a combined experimental and quantum chemical study. |
Authors of publication | Vats, Bal Govind; Das, Debasish; Sadhu, Biswajit; Kannan, S.; Pius, I. C.; Noronha, D. M.; Sundararajan, Mahesh; Kumar, Mukesh |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 25 |
Pages of publication | 10319 - 10325 |
a | 8.9803 ± 0.0004 Å |
b | 13.5484 ± 0.0004 Å |
c | 15.0855 ± 0.0005 Å |
α | 90° |
β | 99.086 ± 0.004° |
γ | 90° |
Cell volume | 1812.4 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0737 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1185 |
Weighted residual factors for all reflections included in the refinement | 0.1347 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7039271.html
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