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Information card for entry 7010465
Preview
Coordinates | 7010465.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C114 H185.5 N3.5 O29.5 U4 |
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Calculated formula | C114 N3.5 O29.5 U4 |
SMILES | [U]1234(Oc5c6cc(cc5Cc5c(O1)c(cc(c5)C(C)(C)C)COCc1c5O[U]78(Oc9c(Cc5cc(c1)C(C)(C)C)cc(cc9COCc1c5O[U]9(Oc%10c(Cc5cc(c1)C(C)(C)C)cc(cc%10COCc1c5O[U](Oc%10c(Cc5cc(c1)C(C)(C)C)cc(cc%10COC6)C(C)(C)C)(=O)(=O)(O9)(O3)O4)C(C)(C)C)(=O)(=O)(O7)O8)C(C)(C)C)(=O)(=O)O2)C(C)(C)C)(=O)=O.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.O.O.O.OC |
Title of publication | Uranyl ion complexation by medium and large homooxacalixarenes: from mono- to poly-uranate complexes |
Authors of publication | Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 6 |
Pages of publication | 867 |
a | 42.749 ± 0.009 Å |
b | 17.169 ± 0.005 Å |
c | 43.577 ± 0.01 Å |
α | 90° |
β | 117.829 ± 0.012° |
γ | 90° |
Cell volume | 28285 ± 12 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
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 | 0.2728 |
Residual factor for significantly intense reflections | 0.1156 |
Weighted residual factors for significantly intense reflections | 0.1494 |
Weighted residual factors for all reflections included in the refinement | 0.2136 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.86 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7010465.html
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Users of the data should acknowledge the original authors of the
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