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Information card for entry 1575966
Preview
| Coordinates | 1575966.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | nia-d-TZB |
|---|---|
| Formula | C42 H24 Mn3 N18 O7 |
| Calculated formula | C42 H24 Mn3 N18 O7 |
| Title of publication | Fluorine-mediated single-step ethylene purification in face-transitive metal-organic frameworks from binary to ternary gas mixtures |
| Authors of publication | Zhang, Wei-Hong; Ma, Ya-Nan; Du, Guo-Tong; Wang, Ping; Xue, Dong-Xu |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 17.1218 ± 0.0011 Å |
| b | 17.1218 ± 0.0011 Å |
| c | 19.1004 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4849.2 ± 0.6 Å3 |
| Cell temperature | 243.15 K |
| Ambient diffraction temperature | 243.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0473 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302822 (current) | 2025-10-07 | cif/ Adding structures of 1575966, 1575967 via cif-deposit CGI script. |
1575966.cif |
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