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Information card for entry 4517635
Preview
| Coordinates | 4517635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H21 Cl1.5 Cu I N3 O |
|---|---|
| Calculated formula | C28 H21 Cl1.5 Cu I N3 O |
| Title of publication | Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study. |
| Authors of publication | Khatua, Sajal; Biswas, Protap |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 23.918 ± 0.0009 Å |
| b | 12.742 ± 0.0005 Å |
| c | 17.8041 ± 0.0007 Å |
| α | 90° |
| β | 112.848 ± 0.002° |
| γ | 90° |
| Cell volume | 5000.3 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.1017 |
| Residual factor for significantly intense reflections | 0.0812 |
| Weighted residual factors for significantly intense reflections | 0.2275 |
| Weighted residual factors for all reflections included in the refinement | 0.256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251405 (current) | 2020-05-02 | cif/ Adding structures of 4517635 via cif-deposit CGI script. |
4517635.cif |
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