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Information card for entry 7246243
Preview
| Coordinates | 7246243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H46 Cd3 N8 O12 |
|---|---|
| Calculated formula | C78 H46 Cd3 N8 O12 |
| Title of publication | Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2 |
| Authors of publication | Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 12 |
| Pages of publication | 1775 - 1781 |
| a | 12.986 ± 0.006 Å |
| b | 13 ± 0.007 Å |
| c | 13.638 ± 0.007 Å |
| α | 78.032 ± 0.008° |
| β | 78.169 ± 0.007° |
| γ | 80.196 ± 0.007° |
| Cell volume | 2184.7 ± 1.9 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 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 | 0.2405 |
| Residual factor for significantly intense reflections | 0.1034 |
| Weighted residual factors for significantly intense reflections | 0.2081 |
| Weighted residual factors for all reflections included in the refinement | 0.2376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282333 (current) | 2023-04-04 | cif/ Updating files of 7246242, 7246243 Original log message: Adding full bibliography for 7246242--7246243.cif. |
7246243.cif |
| 280972 | 2023-02-20 | cif/ Adding structures of 7246242, 7246243 via cif-deposit CGI script. |
7246243.cif |
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Users of the data should acknowledge the original authors of the
structural data.