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Information card for entry 4342026
Preview
| Coordinates | 4342026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H52 Br2 Cl4 N6 O7 Zn3 |
|---|---|
| Calculated formula | C54 H52 Br2 Cl4 N6 O7 Zn3 |
| SMILES | [Zn]1234[N]5=Cc6c(c(cc(c6)Cl)CN(Cc6c7c(C=[N]8[Zn]9%10([N](=Cc%11c%12c(C[N]%13([Zn](Br)([O]3c3c(C=[N]1CCC5)cc(cc3C%13)Cl)([O]9%12)[O]4%10)CCc1ccc(cc1)O)cc(c%11)Cl)CCC8)[OH]7)cc(c6)Cl)CCc1ccc(cc1)O)[OH]2.[Br-] |
| 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 | 18.138 ± 0.003 Å |
| b | 25.593 ± 0.005 Å |
| c | 26.533 ± 0.005 Å |
| α | 90° |
| β | 107.924 ± 0.003° |
| γ | 90° |
| Cell volume | 11719 ± 4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2183 |
| Residual factor for significantly intense reflections | 0.1247 |
| Weighted residual factors for significantly intense reflections | 0.2869 |
| Weighted residual factors for all reflections included in the refinement | 0.3248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| 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. |
4342026.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. |
4342026.cif |
| 129160 | 2014-12-30 | cif/ Adding structures of 4342021, 4342022, 4342023, 4342024, 4342025, 4342026 via cif-deposit CGI script. |
4342026.cif |
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