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Information card for entry 7007410
Preview
Coordinates | 7007410.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C202 H172 Cl6 N18 O16 U5 |
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Calculated formula | C202 H170 Cl6 N18 O16 U5 |
SMILES | c12cccc3c1O[U]145(Oc6c7cccc6Cc6c(O1)c(ccc6)Cc1c(O5)c(ccc1)Cc1c5O[U]6([n]8ccccc8)([n]8ccccc8)(Oc8c(Cc5ccc1)cccc8Cc1c(O6)c(ccc1)Cc1c5O[U]([n]6ccccc6)([n]6ccccc6)(Oc6c(Cc5ccc1)cccc6C7)(Cl)Cl)Cl)Oc1c(cccc1Cc1c(O4)c(ccc1)Cc1c4O[U]5([n]6ccccc6)([n]6ccccc6)(Oc6c(Cc4ccc1)cccc6Cc1c(O5)c(ccc1)Cc1c4O[U]([n]5ccccc5)([n]5ccccc5)(Cl)(Cl)Oc5c(Cc4ccc1)cccc5C3)Cl)C2.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1 |
Title of publication | Synthesis and crystal structure of uranium(IV) complexes with calix[n]arenes (n = 4, 6 and 8): mononuclear, polynuclear and 1D polymeric species. |
Authors of publication | Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 30 |
Pages of publication | 3629 - 3637 |
a | 21.4083 ± 0.0015 Å |
b | 27.4775 ± 0.0013 Å |
c | 18.5799 ± 0.0014 Å |
α | 90° |
β | 107.243 ± 0.004° |
γ | 90° |
Cell volume | 10438.3 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1644 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.1781 |
Weighted residual factors for all reflections included in the refinement | 0.2096 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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