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Information card for entry 2020965
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| Coordinates | 2020965.cif |
|---|---|
| Structure factors | 2020965.hkl |
| Original IUCr paper | HTML |
| Chemical name | 9,9-Bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene |
|---|---|
| Formula | C27 H24 N2 O2 |
| Calculated formula | C27 H24 N2 O2 |
| SMILES | c1cc(ccn1)c1cc2c(cc1)c1ccc(cc1C2(CCO)CCO)c1ccncc1 |
| Title of publication | Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand |
| Authors of publication | Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| a | 18.4485 ± 0.0004 Å |
| b | 11.6452 ± 0.0003 Å |
| c | 19.5931 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4209.31 ± 0.18 Å3 |
| Cell temperature | 130 ± 4 K |
| Ambient diffraction temperature | 130 ± 4 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 | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205535 (current) | 2018-01-24 | cif/ hkl/ Adding structures of 2020965, 2020966 via cif-deposit CGI script. |
2020965.cif 2020965.hkl |
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Users of the data should acknowledge the original authors of the
structural data.