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Information card for entry 1559065
Preview
Coordinates | 1559065.cif |
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Original paper (by DOI) | HTML |
Chemical name | J_Me_BF4 |
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Formula | C64 H58 B3 Cl4 F13 S2 Sb2 |
Calculated formula | C64 H58 B3 Cl4 F13 S2 Sb2 |
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 | 15.494 ± 0.002 Å |
b | 10.9891 ± 0.0016 Å |
c | 19.761 ± 0.003 Å |
α | 90° |
β | 110.566 ± 0.007° |
γ | 90° |
Cell volume | 3150.2 ± 0.8 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 109.98 K |
Number of distinct elements | 7 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0471 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.1013 |
Weighted residual factors for all reflections included in the refinement | 0.11 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
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. |
1559065.cif |
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Users of the data should acknowledge the original authors of the
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