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Information card for entry 4003360
Preview
| Coordinates | 4003360.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14.7 H8 Cu N2 O5 |
|---|---|
| Calculated formula | C14.751 H8 Cu N2 O5 |
| Title of publication | Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible? |
| Authors of publication | Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2018 |
| Journal volume | 30 |
| Journal issue | 11 |
| Pages of publication | 3613 |
| a | 8.1474 ± 0.0015 Å |
| b | 10.5098 ± 0.0017 Å |
| c | 17.662 ± 0.003 Å |
| α | 90° |
| β | 103.064 ± 0.007° |
| γ | 90° |
| Cell volume | 1473.2 ± 0.4 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0366 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231535 (current) | 2019-11-22 | cif/ Adding structures of 4003360 via cif-deposit CGI script. |
4003360.cif |
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