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Information card for entry 1515784
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Coordinates | 1515784.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | FeBTT |
---|---|
Formula | C24 H8 Cl Fe4 N32 O4 |
Calculated formula | C24 H8 Cl Fe4 N32 O4 |
Title of publication | Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal‒organic framework (Fe-BTT) discovered via high-throughput methods |
Authors of publication | Sumida, Kenji; Horike, Satoshi; Kaye, Steven S.; Herm, Zoey R.; Queen, Wendy L.; Brown, Craig M.; Grandjean, Fernande; Long, Gary J.; Dailly, Anne; Long, Jeffrey R. |
Journal of publication | Chemical Science |
Year of publication | 2010 |
Journal volume | 1 |
Journal issue | 2 |
Pages of publication | 184 |
a | 18.8235 ± 0.0011 Å |
b | 18.8235 ± 0.0011 Å |
c | 18.8235 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6669.6 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 221 |
Hermann-Mauguin space group symbol | P m -3 m |
Hall space group symbol | -P 4 2 3 |
Residual factor for all reflections | 0.0387 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0971 |
Weighted residual factors for all reflections included in the refinement | 0.099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/1515784.html
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