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Information card for entry 7116139
Preview
Coordinates | 7116139.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Xe@trisbromo-cryptophane-111 |
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Formula | C45 H32.94 Br3.06 O6 Xe0.96 |
Calculated formula | C45 H32.94 Br3.06 O6 Xe0.96 |
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 | 10.8591 ± 0.0001 Å |
b | 30.5071 ± 0.0004 Å |
c | 11.0807 ± 0.0001 Å |
α | 90° |
β | 94.216 ± 0.001° |
γ | 90° |
Cell volume | 3660.88 ± 0.07 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0606 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.0756 |
Weighted residual factors for all reflections included in the refinement | 0.0808 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7116139.html
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