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Information card for entry 7700041
Preview
| Coordinates | 7700041.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H42 N4 O22 Zn6 |
|---|---|
| Calculated formula | C44 H42 N4 O22 Zn6 |
| Title of publication | Tuning the supramolecular isomerism of MOF-74 by controlling the synthesis conditions |
| Authors of publication | Gheorghe, Andreea; Imaz, Inhar; van der Vlugt, Jarl Ivar; Maspoch, Daniel; Tanase, Stefania |
| Journal of publication | Dalton Transactions |
| Year of publication | 2019 |
| a | 14.03 ± 0.004 Å |
| b | 23.66 ± 0.004 Å |
| c | 15.82 ± 0.004 Å |
| α | 90° |
| β | 113.39 ± 0.05° |
| γ | 90° |
| Cell volume | 4820 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P2yab |
| Residual factor for all reflections | 0.0415 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.72656 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215382 (current) | 2019-05-22 | cif/ Adding structures of 7700041, 7700042 via cif-deposit CGI script. |
7700041.cif |
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