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Information card for entry 7116137
Preview
Coordinates | 7116137.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H48 Cl3 O9 Xe0.92 |
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Calculated formula | C51 H48 Cl3 O9 Xe0.92 |
Title of publication | Rim-functionalized cryptophane-111 derivatives via heterocapping, and their xenon complexes |
Authors of publication | Akil I. Joseph; Gracia El-Ayle; Celine Boutin; Estelle Leonce; Patrick Berthault; K. Travis Holman |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 15905 |
a | 19.9358 ± 0.0002 Å |
b | 10.941 ± 0.0001 Å |
c | 21.074 ± 0.0003 Å |
α | 90° |
β | 107.333 ± 0.001° |
γ | 90° |
Cell volume | 4387.88 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0603 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0836 |
Weighted residual factors for all reflections included in the refinement | 0.0914 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
Diffraction radiation probe | x-ray |
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/7116137.html
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Users of the data should acknowledge the original authors of the
structural data.