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Information card for entry 4515348
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Coordinates | 4515348.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H40.8 F18 Fe3 N2 O16.4 |
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Calculated formula | C57 H25 F18 Fe3 N2 O16 |
Title of publication | Iron-Based Metal-Organic Framework with Hydrophobic Quadrilateral Channels for Highly Selective Separation of Hexane Isomers. |
Authors of publication | Lv, Daofei; Wang, Hao; Chen, Yongwei; Xu, Feng; Shi, Renfeng; Liu, Zewei; Wang, Xinlong; Teat, Simon J.; Xia, Qibin; Li, Zhong; Li, Jing |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2018 |
Journal volume | 10 |
Journal issue | 6 |
Pages of publication | 6031 - 6038 |
a | 13.3568 ± 0.0006 Å |
b | 14.3874 ± 0.0006 Å |
c | 21.6632 ± 0.001 Å |
α | 96.218 ± 0.003° |
β | 100.058 ± 0.003° |
γ | 107.835 ± 0.003° |
Cell volume | 3843.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0935 |
Residual factor for significantly intense reflections | 0.0656 |
Weighted residual factors for significantly intense reflections | 0.1578 |
Weighted residual factors for all reflections included in the refinement | 0.1725 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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