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Information card for entry 4084956
Preview
| Coordinates | 4084956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C76 H90 Cl12 N16 O7 Ti2 |
|---|---|
| Calculated formula | C76 H90 Cl12 N16 O7 Ti2 |
| SMILES | c12c(cc(cc2n2nc3ccccc3n2)C)C[N]23Cc4c(O[Ti]3([N](CC2)(C)C)(O1)(OC(C)C)O[Ti]123([N](Cc5c(c(cc(c5)C)n5nc6ccccc6n5)O2)(Cc2c(O3)c(n3nc5ccccc5n3)cc(c2)C)CC[N]1(C)C)OC(C)C)c(n1nc2ccccc2n1)cc(c4)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
| 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 | 22.0223 ± 0.0006 Å |
| b | 18.0893 ± 0.0005 Å |
| c | 23.1113 ± 0.0006 Å |
| α | 90° |
| β | 112.054 ± 0.002° |
| γ | 90° |
| Cell volume | 8533.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1433 |
| Residual factor for significantly intense reflections | 0.0792 |
| Weighted residual factors for significantly intense reflections | 0.2092 |
| Weighted residual factors for all reflections included in the refinement | 0.2442 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
4084956.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. |
4084956.cif |
| 131460 | 2015-02-07 | cif/ Updating files of 4084955, 4084956, 4084957, 4084958, 4084959 Original log message: Adding full bibliography for 4084955--4084959.cif. |
4084956.cif |
| 128446 | 2014-12-06 | cif/ Adding structures of 4084955, 4084956, 4084957, 4084958, 4084959 via cif-deposit CGI script. |
4084956.cif |
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Users of the data should acknowledge the original authors of the
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