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Information card for entry 4518869
Preview
| Coordinates | 4518869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H30 Co1.98 N6 O13 V1.02 |
|---|---|
| Calculated formula | C54 H30 Co1.98 N6 O13 V1.02 |
| Title of publication | Pore-Space Partition and Optimization for Propane-Selective High-Performance Propane/Propylene Separation |
| Authors of publication | Hong, Anh N.; Yang, Huajun; Li, Tong; Wang, Yong; Wang, Yanxiang; Jia, Xiaoxia; Zhou, Angel; Kusumoputro, Emily; Li, Jinping; Bu, Xianhui; Feng, Pingyun |
| Journal of publication | ACS Applied Materials & Interfaces |
| Year of publication | 2021 |
| a | 16.799 ± 0.005 Å |
| b | 16.799 ± 0.005 Å |
| c | 20.706 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5061 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.1133 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for significantly intense reflections | 0.2327 |
| Weighted residual factors for all reflections included in the refinement | 0.2513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267401 (current) | 2021-07-09 | cif/ Adding structures of 4518868, 4518869 via cif-deposit CGI script. |
4518869.cif |
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Users of the data should acknowledge the original authors of the
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