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Information card for entry 7240970
Preview
| Coordinates | 7240970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H21 Cd N5 O9 |
|---|---|
| Calculated formula | C20 H15 Cd N5 O9 |
| Title of publication | Luminescent CdII Metal‒Organic Frameworks based on Isoniazid using Mixed Ligand Approach |
| Authors of publication | Husain, Ahmad; Rani, Pooja; ., Alisha; Sharma, Ananay; Mondal, Tuhina; Saha, Shyamal Kumar; Bhasin, K.k; Trivedi, Manoj; Kumar, Girijesh |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 10.1657 ± 0.0003 Å |
| b | 21.3974 ± 0.0008 Å |
| c | 14.5383 ± 0.0006 Å |
| α | 90° |
| β | 100.455 ± 0.004° |
| γ | 90° |
| Cell volume | 3109.9 ± 0.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1233 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.2336 |
| Weighted residual factors for all reflections included in the refinement | 0.2725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254719 (current) | 2020-08-01 | cif/ Adding structures of 7240970, 7240971 via cif-deposit CGI script. |
7240970.cif |
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Users of the data should acknowledge the original authors of the
structural data.