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Information card for entry 7246008
Preview
| Coordinates | 7246008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H46 Cd4 N6 O12 S2 |
|---|---|
| Calculated formula | C44 H46 Cd4 N6 O12 S2 |
| Title of publication | The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering |
| Authors of publication | Majumdar, Dhrubajyoti; Roy, Sourav; Frontera, Antonio |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 55 |
| Pages of publication | 35860 - 35872 |
| a | 20.758 ± 0.006 Å |
| b | 11.022 ± 0.003 Å |
| c | 21.396 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4895 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0881 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1368 |
| Weighted residual factors for all reflections included in the refinement | 0.1482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.177 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279921 (current) | 2022-12-16 | cif/ Adding structures of 7246007, 7246008 via cif-deposit CGI script. |
7246008.cif |
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Users of the data should acknowledge the original authors of the
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