Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248168
Preview
| Coordinates | 7248168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H41 Co N16 Nd O15 |
|---|---|
| Calculated formula | C54 H41 Co N16 Nd O15 |
| SMILES | [Nd]123456(ON(=[O]1)=O)(ON(=[O]2)=O)([O]=N(=O)O3)([O]=N(=O)O4)(ON(=[O]5)=O)[n]1cccc2ccc3ccc[n]6c3c12.[Co]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.N#CC.N#CC.N#CC |
| 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 | 12.5118 ± 0.0016 Å |
| b | 20.32 ± 0.003 Å |
| c | 22.341 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5680 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0622 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298703 (current) | 2025-04-03 | cif/7: Fixing Z values and formulae |
7248168.cif |
| 290903 | 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. |
7248168.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. |
7248168.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.