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Information card for entry 4514257
Preview
| Coordinates | 4514257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H42 N12 O32 Zn8 |
|---|---|
| Calculated formula | C90 H42 N12 O32 Zn8 |
| Title of publication | Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption. |
| Authors of publication | Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2017 |
| Journal volume | 9 |
| Journal issue | 42 |
| Pages of publication | 37419 - 37434 |
| a | 24.4635 ± 0.0015 Å |
| b | 24.4635 ± 0.0015 Å |
| c | 112.996 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 58564 ± 7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.1564 |
| Residual factor for significantly intense reflections | 0.1107 |
| Weighted residual factors for significantly intense reflections | 0.3052 |
| Weighted residual factors for all reflections included in the refinement | 0.3443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202549 (current) | 2017-11-04 | cif/ Adding structures of 4514257 via cif-deposit CGI script. |
4514257.cif |
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