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Information card for entry 4132713
Preview
Coordinates | 4132713.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Me2fBPDC |
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Formula | C16 H6 F8 O4 |
Calculated formula | C16 H6 F8 O4 |
SMILES | Fc1c(c2c(F)c(F)c(C(=O)OC)c(F)c2F)c(F)c(F)c(c1F)C(=O)OC |
Title of publication | Tuning Lewis Acidity of Metal-Organic Frameworks via Perfluorination of Bridging Ligands: Spectroscopic, Theoretical, and Catalytic Studies. |
Authors of publication | Ji, Pengfei; Drake, Tasha; Murakami, Akiko; Oliveres, Pau; Skone, Jonathan H.; Lin, Wenbin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 33 |
Pages of publication | 10553 - 10561 |
a | 7.9565 ± 0.0011 Å |
b | 15.697 ± 0.002 Å |
c | 24.285 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3033 ± 0.7 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0436 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0943 |
Weighted residual factors for all reflections included in the refinement | 0.1003 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.41328 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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