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Information card for entry 4084957
Preview
| Coordinates | 4084957.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C83 H94 N16 O7 Ti2 |
|---|---|
| Calculated formula | C83 H94 N16 O7 Ti2 |
| SMILES | [Ti]123(Oc4c(n5nc6ccccc6n5)cc(cc4C[N]2(Cc2c(O1)c(n1nc4ccccc4n1)cc(c2)C)CC[N]13CCCCC1)C)(OC(C)C)O[Ti]123(Oc4c(n5nc6ccccc6n5)cc(cc4C[N]2(Cc2c(O1)c(n1nc4ccccc4n1)cc(c2)C)CC[N]13CCCCC1)C)OC(C)C.Cc1ccccc1 |
| Title of publication | Oxo-Bridged Bimetallic Group 4 Complexes Bearing Amine-Bis(benzotriazole phenolate) Derivatives as Bifunctional Catalysts for Ring-Opening Polymerization of Lactide and Copolymerization of Carbon Dioxide with Cyclohexene Oxide |
| Authors of publication | Su, Ching-Kai; Chuang, Hui-Ju; Li, Chen-Yu; Yu, Chun-Yue; Ko, Bao-Tsan; Chen, Jhy-Der; Chen, Ming-Jen |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 24 |
| Pages of publication | 7091 |
| a | 21.333 ± 0.0005 Å |
| b | 24.6786 ± 0.0005 Å |
| c | 29.4375 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15497.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1264 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1104 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4084957.cif |
| 178738 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/49. |
4084957.cif |
| 131460 | 2015-02-07 | cif/ Updating files of 4084955, 4084956, 4084957, 4084958, 4084959 Original log message: Adding full bibliography for 4084955--4084959.cif. |
4084957.cif |
| 128446 | 2014-12-06 | cif/ Adding structures of 4084955, 4084956, 4084957, 4084958, 4084959 via cif-deposit CGI script. |
4084957.cif |
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