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Information card for entry 7221984
Preview
| Coordinates | 7221984.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H54 N6 O51.2 S3 Zn9 |
|---|---|
| Calculated formula | C57 H54 N6 O52.21 S3 Zn9 |
| Title of publication | In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands |
| Authors of publication | Tahier, Tayyibah; Oliver, Clive L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 46 |
| Pages of publication | 8946 |
| a | 18.798 ± 0.019 Å |
| b | 18.798 Å |
| c | 21.57 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6601 ± 9 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1465 |
| Weighted residual factors for all reflections included in the refinement | 0.1524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7221984.cif |
| 173745 | 2016-01-09 | cif/ Updating files of 7221983, 7221984, 7221985, 7221986, 7221987, 7221988 Original log message: Adding full bibliography for 7221983--7221988.cif. |
7221984.cif |
| 153920 | 2015-09-04 | cif/ Adding structures of 7221983, 7221984, 7221985, 7221986, 7221987, 7221988 via cif-deposit CGI script. |
7221984.cif |
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Users of the data should acknowledge the original authors of the
structural data.