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Information card for entry 4514259
Preview
| Coordinates | 4514259.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H12 N3 O5 Zn |
|---|---|
| Calculated formula | C20 H12 N3 O5 Zn |
| 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 | 24.2031 ± 0.0012 Å |
| b | 18.0034 ± 0.0009 Å |
| c | 13.998 ± 0.0006 Å |
| α | 90° |
| β | 100.52 ± 0.002° |
| γ | 90° |
| Cell volume | 5996.9 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0777 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1447 |
| Weighted residual factors for all reflections included in the refinement | 0.1594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202551 (current) | 2017-11-04 | cif/ Adding structures of 4514259 via cif-deposit CGI script. |
4514259.cif |
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Users of the data should acknowledge the original authors of the
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