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Information card for entry 4105533
Preview
Coordinates | 4105533.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C306 H294 B12 F60 N90 Ni8 O36 Si2 |
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Calculated formula | C306 H294 B9 F44.04 N90 Ni8 O36 Si2.01 |
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 | 26.0607 ± 0.0003 Å |
b | 26.0607 ± 0.0003 Å |
c | 98.7782 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 58098.4 ± 1.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 8 |
Space group number | 167 |
Hermann-Mauguin space group symbol | R -3 c :H |
Hall space group symbol | -R 3 2"c |
Residual factor for all reflections | 0.1462 |
Residual factor for significantly intense reflections | 0.1294 |
Weighted residual factors for significantly intense reflections | 0.396 |
Weighted residual factors for all reflections included in the refinement | 0.4101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.736 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4105533.html
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structural data.