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Information card for entry 4105531
Preview
Coordinates | 4105531.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C588 H509 B32 F128 N150 O11 Zn16 |
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Calculated formula | C588 H498 B28 F118 N150 O11 Zn16 |
Title of publication | Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion |
Authors of publication | Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 858 - 870 |
a | 31.117 ± 0.003 Å |
b | 51.828 ± 0.003 Å |
c | 48.797 ± 0.003 Å |
α | 90° |
β | 99.95 ± 0.002° |
γ | 90° |
Cell volume | 77513 ± 10 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.2594 |
Residual factor for significantly intense reflections | 0.1882 |
Weighted residual factors for significantly intense reflections | 0.4695 |
Weighted residual factors for all reflections included in the refinement | 0.5014 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.358 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4105531.html
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structural data.