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Information card for entry 7032910
Preview
| Coordinates | 7032910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H60 N8 O2 Zr |
|---|---|
| Calculated formula | C44 H60 N8 O2 Zr |
| SMILES | [Zr]12(Oc3c(n4[n]1c1ccccc1n4)cc(cc3C(C)(C)C)C(C)(C)C)(Oc1c(n3[n]2c2ccccc2n3)cc(cc1C(C)(C)C)C(C)(C)C)(N(C)C)N(C)C |
| Title of publication | Facilely synthesized benzotriazole phenolate zirconium complexes as versatile catalysts for copolymerization of carbon dioxide with cyclohexene oxide and lactide polymerization. |
| Authors of publication | Chuang, Hui-Ju; Ko, Bao-Tsan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 598 - 607 |
| a | 10.755 ± 0.0003 Å |
| b | 13.5703 ± 0.0005 Å |
| c | 15.8579 ± 0.0006 Å |
| α | 105.254 ± 0.003° |
| β | 93.273 ± 0.003° |
| γ | 99.663 ± 0.003° |
| Cell volume | 2188.71 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032910.cif |
| 180035 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/29. |
7032910.cif |
| 131007 | 2015-02-04 | cif/ Updating files of 7032908, 7032909, 7032910, 7032911 Original log message: Adding full bibliography for 7032908--7032911.cif. |
7032910.cif |
| 125827 | 2014-10-25 | cif/ Adding structures of 7032908, 7032909, 7032910, 7032911 via cif-deposit CGI script. |
7032910.cif |
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Users of the data should acknowledge the original authors of the
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