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Information card for entry 7027724
Preview
Coordinates | 7027724.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H67 N O11 U |
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Calculated formula | C42 H60 N O11 U |
SMILES | [U]12(Oc3c4cc(cc3COCc3c(O2)c(COCc2c(O1)c(COC4)cc(c2)C(C)(C)C)cc(c3)C(C)(C)C)C(C)(C)C)(=O)=O.[NH+](CC)(CC)CC.O.O.O |
Title of publication | An unprecedented trigonal coordination geometry for the uranyl ion in its complex with p-tert-butylhexahomotrioxacalix[3]arene |
Authors of publication | Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo; Asfari, Zouhair; Vicens, Jacques |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 18 |
Pages of publication | 3151 |
a | 16.464 ± 0.003 Å |
b | 14.203 ± 0.002 Å |
c | 19.59 ± 0.002 Å |
α | 90° |
β | 91.844 ± 0.009° |
γ | 90° |
Cell volume | 4578.5 ± 1.2 Å3 |
Cell temperature | 270 ± 2 K |
Ambient diffraction temperature | 270 ± 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 | 0.1384 |
Residual factor for significantly intense reflections | 0.0816 |
Weighted residual factors for significantly intense reflections | 0.172 |
Weighted residual factors for all reflections included in the refinement | 0.2008 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/7027724.html
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Users of the data should acknowledge the original authors of the
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