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Information card for entry 2020966
Preview
| Coordinates | 2020966.cif |
|---|---|
| Structure factors | 2020966.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[[[μ~3~-9,9-bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene-κ^3^<i>N</i>:<i>N</i>':<i>O<i>]bis(methanol-κ<i>O</i>)(μ-sulfato-κ^2^<i>O</i>:<i>O</i>')nickel(II)] methanol disolvate] |
|---|---|
| Formula | C30 H36 N2 Ni O9 S |
| Calculated formula | C30 H36 N2 Ni O9 S |
| 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 | 10.281 ± 0.0002 Å |
| b | 23.5073 ± 0.0005 Å |
| c | 12.3557 ± 0.0002 Å |
| α | 90° |
| β | 95.674 ± 0.002° |
| γ | 90° |
| Cell volume | 2971.48 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205535 (current) | 2018-01-24 | cif/ hkl/ Adding structures of 2020965, 2020966 via cif-deposit CGI script. |
2020966.cif 2020966.hkl |
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Users of the data should acknowledge the original authors of the
structural data.