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Information card for entry 4000769
Preview
| Coordinates | 4000769.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H48 O13 S12 Zn4 |
|---|---|
| Calculated formula | C24 H6 O13 S6 Zn4 |
| Title of publication | Thioether Side Chains Improve the Stability, Fluorescence, and Metal Uptake of a Metal‒Organic Framework |
| Authors of publication | He, Jun; Yee, Ka-Kit; Xu, Zhengtao; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2011 |
| Journal volume | 23 |
| Journal issue | 11 |
| Pages of publication | 2940 |
| a | 25.559 ± 0.006 Å |
| b | 25.559 Å |
| c | 25.559 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16697 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.2272 |
| Residual factor for significantly intense reflections | 0.0948 |
| Weighted residual factors for significantly intense reflections | 0.2878 |
| Weighted residual factors for all reflections included in the refinement | 0.333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.834 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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