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Information card for entry 4084829
Preview
| Coordinates | 4084829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C53 H78 N5 O2 Y |
|---|---|
| Calculated formula | C53 H78 N5 O2 Y |
| SMILES | [Y]1234(Oc5c(cc(cc5C[N]2(Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)CC[N]3(C)C)C(C)(C)C)C(C)(C)C)[N](=C(N4C(C)C)N(c1ccccc1)c1ccccc1)C(C)C |
| Title of publication | Synthesis and Characterization of Amine-Bridged Bis(phenolate) Yttrium Guanidinates and Their Application in the Ring-Opening Polymerization of 1,4-Dioxan-2-one |
| Authors of publication | Zeng, Tinghua; Wang, Yaorong; Shen, Qi; Yao, Yingming; Luo, Yunjie; Cui, Dongmei |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 23 |
| Pages of publication | 6803 |
| a | 11.063 ± 0.0006 Å |
| b | 27.6063 ± 0.0016 Å |
| c | 17.3168 ± 0.0011 Å |
| α | 90° |
| β | 99.283 ± 0.002° |
| γ | 90° |
| Cell volume | 5219.4 ± 0.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1417 |
| Residual factor for significantly intense reflections | 0.1001 |
| Weighted residual factors for significantly intense reflections | 0.226 |
| Weighted residual factors for all reflections included in the refinement | 0.2542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71075 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. |
4084829.cif |
| 178737 | 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 4/08/48. |
4084829.cif |
| 131490 | 2015-02-08 | cif/ Updating files of 4084826, 4084827, 4084828, 4084829 Original log message: Adding full bibliography for 4084826--4084829.cif. |
4084829.cif |
| 127752 | 2014-11-21 | cif/ Adding structures of 4084826, 4084827, 4084828, 4084829 via cif-deposit CGI script. |
4084829.cif |
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