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Information card for entry 4002909
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4002909.cif |
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Original paper (by DOI) | HTML |
Formula | C4 H3 F3 N2 |
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Calculated formula | C4 H3 F3 N2 |
Title of publication | Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework |
Authors of publication | Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra |
Journal of publication | Chemistry of Materials |
Year of publication | 2019 |
Journal volume | 31 |
Journal issue | 10 |
Pages of publication | 3777 |
a | 7.5862 ± 0.0016 Å |
b | 9.8792 ± 0.0018 Å |
c | 7.6926 ± 0.0018 Å |
α | 90° |
β | 108.97 ± 0.018° |
γ | 90° |
Cell volume | 545.2 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1909 |
Residual factor for significantly intense reflections | 0.0825 |
Weighted residual factors for significantly intense reflections | 0.1868 |
Weighted residual factors for all reflections included in the refinement | 0.2401 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4002909.html
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