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Information card for entry 4319175
Preview
Coordinates | 4319175.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H108 K3 N6 O18 Se5 Tl5 |
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Calculated formula | C56.13 K3 N7.57 O18 Se5 Tl5 |
Title of publication | First Examples of Thallium Chalcogenide Cages. Syntheses,77Se,203Tl, and 205Tl NMR Study of the Tl4Se54- and Tl4Se64- Anions, the X-ray Crystal Structure of (2,2,2-crypt-K+)3Tl5Se53-, and Theoretical Studies |
Authors of publication | Janette Campbell; Hélène P. A. Mercier; David P. Santry; Reijo J. Suontamo; Horst Borrmann; Gary J. Schrobilgen |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 233 - 254 |
a | 11.818 ± 0.002 Å |
b | 16.118 ± 0.003 Å |
c | 25.765 ± 0.005 Å |
α | 82.56 ± 0.03° |
β | 88.62 ± 0.03° |
γ | 68.95 ± 0.03° |
Cell volume | 4540.4 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1699 |
Residual factor for significantly intense reflections | 0.1418 |
Weighted residual factors for all reflections | 0.369 |
Weighted residual factors for significantly intense reflections | 0.3447 |
Goodness-of-fit parameter for all reflections | 1.179 |
Goodness-of-fit parameter for significantly intense reflections | 1.275 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4319175.html
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