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Information card for entry 7120852
Preview
| Coordinates | 7120852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H73 N7 O23 Si2 Zn3 |
|---|---|
| Calculated formula | C42 H24 O16 Si2 Zn3 |
| Title of publication | Siloxane-based linkers in the construction of hydrogen bonded assemblies and porous 3D MOFs |
| Authors of publication | Delmas, Luke C.; Horton, Peter N.; White, Andrew J. P.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P. |
| Journal of publication | Chemical Communications |
| Year of publication | 2017 |
| a | 13.2462 ± 0.0005 Å |
| b | 27.7134 ± 0.001 Å |
| c | 24.5341 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9006.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 26 |
| Hermann-Mauguin space group symbol | P m c 21 |
| Hall space group symbol | P 2c -2 |
| Residual factor for all reflections | 0.1192 |
| Residual factor for significantly intense reflections | 0.087 |
| Weighted residual factors for significantly intense reflections | 0.2269 |
| Weighted residual factors for all reflections included in the refinement | 0.2552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202870 (current) | 2017-11-07 | cif/ Adding structures of 7120850, 7120851, 7120852 via cif-deposit CGI script. |
7120852.cif |
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Users of the data should acknowledge the original authors of the
structural data.