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Information card for entry 4515828
Preview
| Coordinates | 4515828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2.778 H2.333 Cu0.111 N0.444 O0.778 S0.222 |
|---|---|
| Calculated formula | C2.77778 H2.33333 Cu0.111111 N0.444444 O0.777778 S0.222222 |
| Title of publication | Unusual Missing Linkers in an Organosulfonate-Based Primitive‒Cubic (pcu)-Type Metal‒Organic Framework for CO2 Capture and Conversion under Ambient Conditions |
| Authors of publication | Zhang, Guiyang; Yang, Huimin; Fei, Honghan |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 3 |
| Pages of publication | 2519 |
| a | 22.2892 ± 0.0009 Å |
| b | 22.2235 ± 0.0008 Å |
| c | 15.7911 ± 0.0007 Å |
| α | 90° |
| β | 101.936 ± 0.001° |
| γ | 90° |
| Cell volume | 7652.9 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0869 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for all reflections included in the refinement | 0.2079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0744 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225928 (current) | 2019-11-10 | cif/ Adding structures of 4515828 via cif-deposit CGI script. |
4515828.cif |
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