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Information card for entry 7221137
Preview
| Coordinates | 7221137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H67 Br Cl3 N11 O14 Zn2 |
|---|---|
| Calculated formula | C42 H67 Br Cl3 N11 O14 Zn2 |
| SMILES | [Br]1[Zn]234[N]56CC[NH]4Cc4ccc(cc4)C[NH]4[Zn]781[N](CC[NH]7Cc1ccc(cc1)C[NH]3CC5)(CC[NH]8Cc1ccc(cc1)C[NH]2CC6)CC4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC.N#CC.O.O |
| Title of publication | Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions |
| Authors of publication | Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 30 |
| Pages of publication | 5832 |
| a | 13.253 ± 0.004 Å |
| b | 14.04 ± 0.005 Å |
| c | 15.795 ± 0.005 Å |
| α | 87.47 ± 0.006° |
| β | 65.997 ± 0.006° |
| γ | 82.199 ± 0.006° |
| Cell volume | 2659.8 ± 1.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1004 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1537 |
| Weighted residual factors for all reflections included in the refinement | 0.1823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7221137.cif |
| 153104 | 2015-08-08 | cif/ Updating files of 7221133, 7221134, 7221135, 7221136, 7221137, 7221138, 7221139, 7221140 Original log message: Adding full bibliography for 7221133--7221140.cif. |
7221137.cif |
| 141462 | 2015-07-09 | cif/ Adding structures of 7221133, 7221134, 7221135, 7221136, 7221137, 7221138, 7221139, 7221140 via cif-deposit CGI script. |
7221137.cif |
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Users of the data should acknowledge the original authors of the
structural data.