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Information card for entry 1572937
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1572937.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H14 N6 |
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Calculated formula | C21 H14 N6 |
Title of publication | Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage. |
Authors of publication | Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M. |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 45 |
Pages of publication | 19119 - 19125 |
a | 20.74 ± 0.004 Å |
b | 4.425 ± 0.0009 Å |
c | 18.376 ± 0.004 Å |
α | 90° |
β | 94.79 ± 0.03° |
γ | 90° |
Cell volume | 1680.6 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0683 |
Residual factor for significantly intense reflections | 0.0608 |
Weighted residual factors for significantly intense reflections | 0.1726 |
Weighted residual factors for all reflections included in the refinement | 0.18 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Synchrotron |
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/1572937.html
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Users of the data should acknowledge the original authors of the
structural data.