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Information card for entry 4342023
Preview
| Coordinates | 4342023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H58 Br2 Cl4 N6 O6 Zn3 |
|---|---|
| Calculated formula | C56 H58 Br2 Cl4 N6 O6 Zn3 |
| SMILES | [Zn]123(Br)[N]4(Cc5c6c(C=[N]7[Zn]89([N](=Cc%10c(c(CN(Cc%11c%12c(C=[N]%13[Zn]%14([N](=Cc%15c(c(cc(c%15)Cl)C4)[O]1%14)CCC%13)([OH]%12)[O]39)cc(c%11)Cl)CCc1ccccc1)cc(c%10)Cl)[OH]8)CCC7)[O]26)cc(c5)Cl)CCc1ccccc1.[Br-].C(C)O |
| Title of publication | Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template. |
| Authors of publication | Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 2 |
| Pages of publication | 675 - 681 |
| a | 13.8678 ± 0.0011 Å |
| b | 14.6941 ± 0.0012 Å |
| c | 15.942 ± 0.0013 Å |
| α | 77.562 ± 0.001° |
| β | 68.266 ± 0.001° |
| γ | 87.571 ± 0.001° |
| Cell volume | 2944.3 ± 0.4 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 | 0.0759 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1448 |
| Weighted residual factors for all reflections included in the refinement | 0.1776 |
| 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 |
|---|---|---|---|
| 179523 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20. |
4342023.cif |
| 130519 | 2015-02-04 | cif/ Updating files of 4342021, 4342022, 4342023, 4342024, 4342025, 4342026 Original log message: Adding full bibliography for 4342021--4342026.cif. |
4342023.cif |
| 129160 | 2014-12-30 | cif/ Adding structures of 4342021, 4342022, 4342023, 4342024, 4342025, 4342026 via cif-deposit CGI script. |
4342023.cif |
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Users of the data should acknowledge the original authors of the
structural data.