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Information card for entry 4344667
Preview
Coordinates | 4344667.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H38 N2 O12 S U |
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Calculated formula | C30 H38 N2 O12 S U |
SMILES | [U]123(=O)(=O)(Oc4c(C=[N]2c2c([N]3=Cc3ccccc3O1)cc1OCCOCCOCCOCCOc1c2)cccc4)[O]=S(C)C.O.O |
Title of publication | Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors. |
Authors of publication | Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari |
Journal of publication | Inorganic chemistry |
Year of publication | 2016 |
Journal volume | 55 |
Journal issue | 3 |
Pages of publication | 1339 - 1346 |
a | 26.8748 ± 0.0007 Å |
b | 7.85585 ± 0.00016 Å |
c | 31.2173 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6590.7 ± 0.3 Å3 |
Cell temperature | 170 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0369 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0493 |
Weighted residual factors for all reflections included in the refinement | 0.0534 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4344667.html
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