Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4517685
Preview
Coordinates | 4517685.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C396 H420 Cu24 N54 O162 |
---|---|
Calculated formula | C396 H420 Cu24 N54 O162 |
Title of publication | Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization. |
Authors of publication | Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D. |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 22 |
Pages of publication | 24913 - 24919 |
a | 36.2688 ± 0.0006 Å |
b | 36.2688 ± 0.0006 Å |
c | 53.74 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 61220.2 ± 1.8 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0916 |
Residual factor for significantly intense reflections | 0.0813 |
Weighted residual factors for significantly intense reflections | 0.2401 |
Weighted residual factors for all reflections included in the refinement | 0.2638 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4517685.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.