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Information card for entry 4346656
Preview
| Coordinates | 4346656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | CuCPB2 |
|---|---|
| Formula | C63 H61 Cu3 N3 O17 |
| Calculated formula | C63 H61 Cu3 N3 O17 |
| Title of publication | Synthesis and Selective CO2 Capture Properties of a Series of Hexatopic Linker-Based Metal-Organic Frameworks. |
| Authors of publication | Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Pham, Hung Q.; Kim, Jaheon; Cordova, Kyle E.; Furukawa, Hiroyasu |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 20 |
| Pages of publication | 10065 - 10072 |
| a | 12.6325 ± 0.0004 Å |
| b | 17.4726 ± 0.0006 Å |
| c | 27.9667 ± 0.0009 Å |
| α | 91.275 ± 0.002° |
| β | 92.433 ± 0.002° |
| γ | 106.1 ± 0.002° |
| Cell volume | 5921.7 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1312 |
| Residual factor for significantly intense reflections | 0.1072 |
| Weighted residual factors for significantly intense reflections | 0.21 |
| Weighted residual factors for all reflections included in the refinement | 0.2201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231907 (current) | 2019-11-23 | cif/ Adding structures of 4346656 via cif-deposit CGI script. |
4346656.cif |
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