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Information card for entry 7043460
Preview
| Coordinates | 7043460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H34 N2 O2 Zn2 |
|---|---|
| Calculated formula | C32 H34 N2 O2 Zn2 |
| SMILES | c12cccc[n]1[Zn]1([O](C(=C2)c2ccccc2C)[Zn]2([n]3c(C=C([O]12)c1ccccc1C)cccc3)CC)CC |
| Title of publication | β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides |
| Authors of publication | Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 14.0974 ± 0.0005 Å |
| b | 8.6016 ± 0.0003 Å |
| c | 23.255 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2819.91 ± 0.18 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198190 (current) | 2017-06-28 | cif/ Adding structures of 7043460, 7043461, 7043462, 7043463, 7043464, 7043465, 7043466, 7043467, 7043468, 7043469 via cif-deposit CGI script. |
7043460.cif |
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Users of the data should acknowledge the original authors of the
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