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Information card for entry 7241161
Preview
| Coordinates | 7241161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H64 N16 O8 Zn4 |
|---|---|
| Calculated formula | C54 H64 N16 O8 Zn4 |
| Title of publication | Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study |
| Authors of publication | Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 15.2598 ± 0.0012 Å |
| b | 16.0078 ± 0.0013 Å |
| c | 24.0526 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5875.5 ± 0.8 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.092 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1433 |
| Weighted residual factors for all reflections included in the refinement | 0.1743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255790 (current) | 2020-09-02 | cif/ Adding structures of 7241159, 7241160, 7241161 via cif-deposit CGI script. |
7241161.cif |
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