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Information card for entry 4102130
Preview
Coordinates | 4102130.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H33 Cd3.5 N3 O14 |
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Calculated formula | C33 H34.5 Cd3.5 N3 O14 |
Title of publication | Capsule Formation, Carboxylate Exchange, and DFT Exploration of Cadmium Cluster Metallocavitands: Highly Dynamic Supramolecules |
Authors of publication | Peter D. Frischmann; Glenn A. Facey; Phuong Y. Ghi; Amanda J. Gallant; David L. Bryce; Francesco Lelj; Mark J. MacLachlan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 3893 - 3908 |
a | 28.712 ± 0.005 Å |
b | 28.712 ± 0.005 Å |
c | 26.128 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 120 ± 0.005° |
Cell volume | 18654 ± 6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 166 |
Hermann-Mauguin space group symbol | R -3 m :H |
Hall space group symbol | -R 3 2" |
Residual factor for all reflections | 0.1358 |
Residual factor for significantly intense reflections | 0.0911 |
Weighted residual factors for significantly intense reflections | 0.2626 |
Weighted residual factors for all reflections included in the refinement | 0.2992 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
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/4102130.html
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