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Information card for entry 4514260
Preview
| Coordinates | 4514260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H28 N6 O10 Zn2 |
|---|---|
| Calculated formula | C42 H28 N6 O10 Zn2 |
| 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 | 15.173 ± 0.004 Å |
| b | 15.232 ± 0.004 Å |
| c | 16.006 ± 0.004 Å |
| α | 77.869 ± 0.012° |
| β | 80.918 ± 0.013° |
| γ | 84.57 ± 0.011° |
| Cell volume | 3564 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.144 |
| Residual factor for significantly intense reflections | 0.1069 |
| Weighted residual factors for significantly intense reflections | 0.2956 |
| Weighted residual factors for all reflections included in the refinement | 0.3297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.223 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202552 (current) | 2017-11-04 | cif/ Adding structures of 4514260 via cif-deposit CGI script. |
4514260.cif |
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Users of the data should acknowledge the original authors of the
structural data.