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Information card for entry 1576053
Preview
| Coordinates | 1576053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H80 N16 O18 Zn7 |
|---|---|
| Calculated formula | C108 H80 N16 O18 Zn7 |
| Title of publication | Precision Pore Engineering via fit-Topology Assembly in a Zn-Porphyrin Metal-Organic Framework for Selective C2H2 Capture |
| Authors of publication | Zhu, Zhenliang; Xiao, Jianfei; Zhang, Min; Huang, Yao-Qi; Yuan, Shaojun |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 25.6765 ± 0.0019 Å |
| b | 25.691 ± 0.0019 Å |
| c | 22.0059 ± 0.0017 Å |
| α | 90° |
| β | 101.66 ± 0.003° |
| γ | 90° |
| Cell volume | 14216.7 ± 1.9 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1267 |
| Residual factor for significantly intense reflections | 0.1135 |
| Weighted residual factors for significantly intense reflections | 0.2987 |
| Weighted residual factors for all reflections included in the refinement | 0.3116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302983 (current) | 2025-10-24 | cif/ Adding structures of 1576053 via cif-deposit CGI script. |
1576053.cif |
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Users of the data should acknowledge the original authors of the
structural data.