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Information card for entry 7248170
Preview
| Coordinates | 7248170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H32 Co N13 O15 Sm |
|---|---|
| Calculated formula | C48 H32 Co N13 O15 Sm |
| SMILES | [Sm]123456(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)([O]=N(=O)O4)([O]=N(=O)O5)[n]1cccc2ccc3ccc[n]6c3c12.[Co]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12 |
| Title of publication | Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes |
| Authors of publication | Gavrikov, Andrey V.; Ilyukhin, Andrey B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 12 |
| Pages of publication | 1677 - 1682 |
| a | 12.6065 ± 0.0014 Å |
| b | 17.994 ± 0.0017 Å |
| c | 22.46 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5094.9 ± 0.9 Å3 |
| Cell temperature | 380 ± 2 K |
| Ambient diffraction temperature | 380 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1164 |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for significantly intense reflections | 0.2057 |
| Weighted residual factors for all reflections included in the refinement | 0.2288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290903 (current) | 2024-04-05 | cif/ Updating files of 7248144, 7248145, 7248146, 7248147, 7248148, 7248149, 7248150, 7248151, 7248152, 7248153, 7248154, 7248155, 7248156, 7248157, 7248158, 7248159, 7248160, 7248161, 7248162, 7248163, 7248164, 7248165, 7248166, 7248167, 7248168, 7248169, 7248170, 7248171, 7248172, 7248173, 7248174 Original log message: Adding full bibliography for 7248144--7248174.cif. |
7248170.cif |
| 289832 | 2024-02-16 | cif/ Adding structures of 7248144, 7248145, 7248146, 7248147, 7248148, 7248149, 7248150, 7248151, 7248152, 7248153, 7248154, 7248155, 7248156, 7248157, 7248158, 7248159, 7248160, 7248161, 7248162, 7248163, 7248164, 7248165, 7248166, 7248167, 7248168, 7248169, 7248170, 7248171, 7248172, 7248173, 7248174 via cif-deposit CGI script. |
7248170.cif |
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Users of the data should acknowledge the original authors of the
structural data.