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Information card for entry 4000340
Preview
| Coordinates | 4000340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H60 N6 O12 Zn3 |
|---|---|
| Calculated formula | C82.92 H54.12 N5.64 O11.02 Zn2.67 |
| SMILES | c1ccc(cc1)c1oc2[n](c1)[Zn]134([n]5cc(oc5c5c([O]1[Zn]16([O]4c4ccccc4c4[n]1cc(o4)c1ccccc1)Oc1ccccc1c1[n]6cc(o1)c1ccccc1)cccc5)c1ccccc1)[O](c1c2cccc1)[Zn]12([O]3c3ccccc3c3[n]1cc(o3)c1ccccc1)Oc1ccccc1c1[n]2cc(o1)c1ccccc1 |
| Title of publication | Polymorphs and Blue Luminescence of Oligomeric Zinc (II) Complex; Zn3ppo6 [ppo ( 2((2(hydroxyphenyl)(5(phenyloxazole] |
| Authors of publication | Taeshick Kim |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2003 |
| a | 11.2311 ± 0.0005 Å |
| b | 14.7822 ± 0.0005 Å |
| c | 21.0049 ± 0.0008 Å |
| α | 90° |
| β | 91.053 ± 0.001° |
| γ | 90° |
| Cell volume | 3486.7 ± 0.2 Å3 |
| Cell temperature | 296.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for all reflections included in the refinement | 0.028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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