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Information card for entry 1571822
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Coordinates | 1571822.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc |
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Formula | C36 H24 I6 N12 Zn3 |
Calculated formula | C36 H24 I5.9996 N12 Zn2.9998 |
Title of publication | Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes. |
Authors of publication | Carroll, Robert C.; Coles, Simon J. |
Journal of publication | IUCrJ |
Year of publication | 2024 |
Journal volume | 11 |
Journal issue | 4 |
a | 34.4506 ± 0.0011 Å |
b | 15.0594 ± 0.0004 Å |
c | 30.1018 ± 0.0014 Å |
α | 90° |
β | 100.834 ± 0.004° |
γ | 90° |
Cell volume | 15338.6 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0702 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1837 |
Weighted residual factors for all reflections included in the refinement | 0.1926 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1571822.html
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Users of the data should acknowledge the original authors of the
structural data.