Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7018172
Preview
| Coordinates | 7018172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C86 H124 N4 Na O8 Y |
|---|---|
| Calculated formula | C86 H124 N4 Na O8 Y |
| SMILES | C(CN1Cc2c(OC1)c(cc(c2)C)C(C)(C)C)[N]12[Y]34(Oc5c(C1)cc(cc5C(C)(C)C)C)([N](CCN1Cc5c(OC1)c(cc(c5)C)C(C)(C)C)(Cc1c(c(cc(c1)C)C(C)(C)C)O4)Cc1c([O]34)c(cc(c1)C)C(C)(C)C)[O](c1c(cc(cc1C2)C)C(C)(C)C)[Na]4([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Synthesis and characterization of benzoxazine-functionalized amine bridged bis(phenolate) lanthanide complexes and their application in the ring-opening polymerization of cyclic esters. |
| Authors of publication | Liang, Zhenhua; Ni, Xufeng; Li, Xue; Shen, Zhiquan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 9 |
| Pages of publication | 2812 - 2819 |
| a | 32.587 ± 0.0014 Å |
| b | 12.7586 ± 0.0005 Å |
| c | 27.7173 ± 0.0013 Å |
| α | 90° |
| β | 117.313 ± 0.006° |
| γ | 90° |
| Cell volume | 10239.1 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1094 |
| Residual factor for significantly intense reflections | 0.0702 |
| Weighted residual factors for significantly intense reflections | 0.1875 |
| Weighted residual factors for all reflections included in the refinement | 0.208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7018172.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7018172.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018172.cif |
| 37673 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018172, 7018173, 7018174, 7018175, 7018176 via cif-deposit CGI script. |
7018172.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.