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Information card for entry 4348662
Preview
| Coordinates | 4348662.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H62 Cl4 N8 O10 Zn2 |
|---|---|
| Calculated formula | C60 H62 Cl4 N8 O10 Zn2 |
| SMILES | [Zn]123([N]4=Cc5c(c(cc(c5)Cl)CN(Cc5c6c(C=[N]7[Zn]8([N](=Cc9c(c(CN(Cc%10c(c(C=[N]1[C@@H]1[C@@H]4CCCC1)cc(c%10)Cl)[OH]3)CCc1ccccc1)cc(c9)Cl)O8)[C@@H]1[C@@H]7CCCC1)(O6)ON(=O)=O)cc(c5)Cl)CCc1ccccc1)[OH]2)ON(=O)=O.[Zn]123([N]4=Cc5c(c(cc(c5)Cl)CN(Cc5c6c(C=[N]7[Zn]8([N](=Cc9c(c(CN(Cc%10c(c(C=[N]1[C@H]1[C@H]4CCCC1)cc(c%10)Cl)[OH]3)CCc1ccccc1)cc(c9)Cl)O8)[C@H]1[C@H]7CCCC1)(O6)ON(=O)=O)cc(c5)Cl)CCc1ccccc1)[OH]2)ON(=O)=O |
| Title of publication | Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms. |
| Authors of publication | Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 17 |
| Pages of publication | 8260 - 8262 |
| a | 13.764 ± 0.004 Å |
| b | 33.007 ± 0.01 Å |
| c | 14.389 ± 0.004 Å |
| α | 90° |
| β | 111.325 ± 0.004° |
| γ | 90° |
| Cell volume | 6089 ± 3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0893 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4348662.cif |
| 233234 | 2019-11-23 | cif/ Adding structures of 4348658, 4348659, 4348660, 4348661, 4348662 via cif-deposit CGI script. |
4348662.cif |
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Users of the data should acknowledge the original authors of the
structural data.