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Information card for entry 4131313
Preview
| Coordinates | 4131313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H103 N O52.5 Y9 |
|---|---|
| Calculated formula | C104 H54 N0.9996 O49.202 Y9 |
| Title of publication | A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control. |
| Authors of publication | AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 31 |
| Pages of publication | 10715 - 10722 |
| a | 21.996 ± 0.002 Å |
| b | 21.996 ± 0.002 Å |
| c | 24.912 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10438.2 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.125 |
| Residual factor for significantly intense reflections | 0.0839 |
| Weighted residual factors for significantly intense reflections | 0.2453 |
| Weighted residual factors for all reflections included in the refinement | 0.2731 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241544 (current) | 2019-11-25 | cif/ Adding structures of 4131313 via cif-deposit CGI script. |
4131313.cif |
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Users of the data should acknowledge the original authors of the
structural data.