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Information card for entry 4000531
Preview
| Coordinates | 4000531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | A dizinc complex of tBu-salen with methanol |
|---|---|
| Formula | C49 H64 N4 O5 Zn2 |
| Calculated formula | C49 H64 N4 O5 Zn2 |
| SMILES | CC(c1cccc2c1O[Zn]13Oc4c(C=[N]3CC[N]3=Cc5c(O[Zn]63[N](=Cc3cccc(c3O6)C(C)(C)C)CC[N]1=C2)c(ccc5)C(C)(C)C)cccc4C(C)(C)C)(C)C.OC |
| Title of publication | Fluorescence Color Modulation by Intramolecular and Intermolecular π–π Interactions in a Helical Zinc(II) Complex |
| Authors of publication | Mizukami, Shin; Houjou, Hirohiko; Sugaya, Kenta; Koyama, Emiko; Tokuhisa, Hideo; Sasaki, Takeshi; Kanesato, Masatoshi |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2005 |
| Journal volume | 17 |
| Journal issue | 1 |
| Pages of publication | 50 - 56 |
| a | 12.5 ± 0.02 Å |
| b | 14.17 ± 0.01 Å |
| c | 15.8 ± 0.02 Å |
| α | 62.01 ± 0.09° |
| β | 82.3 ± 0.1° |
| γ | 76.7 ± 0.1° |
| Cell volume | 2405.1 ± 0.5 Å3 |
| Cell temperature | 193.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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