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Information card for entry 7120850
Preview
| Coordinates | 7120850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H38 O17 Si2 |
|---|---|
| Calculated formula | C42 H24 O13 Si2 |
| 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 | 17.0954 ± 0.0009 Å |
| b | 17.1816 ± 0.0004 Å |
| c | 17.3736 ± 0.0007 Å |
| α | 93.458 ± 0.003° |
| β | 105.795 ± 0.004° |
| γ | 104.49 ± 0.003° |
| Cell volume | 4708.8 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1164 |
| Residual factor for significantly intense reflections | 0.0808 |
| Weighted residual factors for significantly intense reflections | 0.2206 |
| Weighted residual factors for all reflections included in the refinement | 0.275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7120850.cif |
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Users of the data should acknowledge the original authors of the
structural data.