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Information card for entry 1571824
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Coordinates | 1571824.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 I6.001 N12 Zn3.0005 |
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 | 34.4353 ± 0.0008 Å |
b | 15.0604 ± 0.0003 Å |
c | 30.1558 ± 0.0014 Å |
α | 90° |
β | 100.809 ± 0.003° |
γ | 90° |
Cell volume | 15361.6 ± 0.9 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 | 0.0636 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.1527 |
Weighted residual factors for all reflections included in the refinement | 0.1617 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/1571824.html
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Users of the data should acknowledge the original authors of the
structural data.