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Information card for entry 1559064
Preview
Coordinates | 1559064.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H30 B F4 S Sb |
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Calculated formula | C33 H30 B F4 S Sb |
SMILES | [Sb+](c1c(Sc2ccccc2)cccc1)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.[B](F)(F)(F)[F-] |
Title of publication | Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport |
Authors of publication | Park, Gyeongjin; Gabbaï, François P. |
Journal of publication | Chemical Science |
Year of publication | 2020 |
a | 20.555 Å |
b | 12.162 Å |
c | 24.558 Å |
α | 90° |
β | 101.94° |
γ | 90° |
Cell volume | 6006.43 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0298 |
Residual factor for significantly intense reflections | 0.0219 |
Weighted residual factors for significantly intense reflections | 0.0465 |
Weighted residual factors for all reflections included in the refinement | 0.0499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
256334 (current) | 2020-09-11 | cif/ Adding structures of 1559061, 1559062, 1559063, 1559064, 1559065 via cif-deposit CGI script. |
1559064.cif |
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Users of the data should acknowledge the original authors of the
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