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Information card for entry 2021660
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| Coordinates | 2021660.cif |
|---|---|
| Structure factors | 2021660.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[hexakis[μ~4~-(2-carboxylatophenyl)sulfanido]di-μ~3~-chlorido-tri-μ~2~-hydroxido-octanickel(II)sodium(I)] |
|---|---|
| Formula | C42 H27 Cl2 Na Ni8 O15 S6 |
| Calculated formula | C42 H27 Cl2 Na Ni8 O15 S6 |
| Title of publication | Nickel(II) cluster-based mixed-cation coordination polymer synthesized from 2-mercaptobenzoic acid and its application |
| Authors of publication | Zhu, Jingyan; Yan, Shan; Xiao, Hongping; Jiang, Jun; Li, Xinhua |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 7 |
| a | 13.2027 ± 0.0007 Å |
| b | 13.2027 ± 0.0007 Å |
| c | 18.3116 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2764.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.2054 |
| Weighted residual factors for all reflections included in the refinement | 0.2134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215865 (current) | 2019-06-12 | cif/ hkl/ Adding structures of 2021660 via cif-deposit CGI script. |
2021660.cif 2021660.hkl |
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