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Information card for entry 7246801
Preview
| Coordinates | 7246801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H12 Co N2 O4 |
|---|---|
| Calculated formula | C18 H12 Co N2 O4 |
| Title of publication | Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation |
| Authors of publication | Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 23 |
| Pages of publication | 3356 - 3360 |
| a | 20.439 ± 0.003 Å |
| b | 10.2687 ± 0.0017 Å |
| c | 16.814 ± 0.003 Å |
| α | 90° |
| β | 105.349 ± 0.006° |
| γ | 90° |
| Cell volume | 3403.1 ± 1 Å3 |
| Cell temperature | 396 ± 2 K |
| Ambient diffraction temperature | 400 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.1023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284922 (current) | 2023-07-05 | cif/ Updating files of 7246797, 7246798, 7246799, 7246800, 7246801, 7246802, 7246803, 7246804 Original log message: Adding full bibliography for 7246797--7246804.cif. |
7246801.cif |
| 283810 | 2023-05-17 | cif/ Adding structures of 7246797, 7246798, 7246799, 7246800, 7246801, 7246802, 7246803, 7246804 via cif-deposit CGI script. |
7246801.cif |
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Users of the data should acknowledge the original authors of the
structural data.