Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084879
Preview
| Coordinates | 4084879.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C99 H147 Cl3 N6 O6 Sm2 |
|---|---|
| Calculated formula | C99 H147 Cl3 N6 O6 Sm2 |
| SMILES | [Sm]12345[Cl][Sm]([Cl]1)([Cl]2)(Oc1c(CN2CC[N+](Cc6c(O3)c(cc(c6)C(C)(C)C)C(C)(C)C)=C2)cc(cc1C(C)(C)C)C(C)(C)C)(Oc1c(C[N+]2=CN(Cc3c(O4)c(cc(c3)C(C)(C)C)C(C)(C)C)CC2)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(CN2CC[N+](Cc3c(O5)c(cc(c3)C(C)(C)C)C(C)(C)C)=C2)cc(cc1C(C)(C)C)C(C)(C)C |
| Title of publication | Synthesis of Bimetallic Bis(phenolate) N-Heterocyclic Carbene Lanthanide Complexes and Their Applications in the Ring-Opening Polymerization ofl-Lactide |
| Authors of publication | Zhang, Min; Ni, Xufeng; Shen, Zhiquan |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 23 |
| Pages of publication | 6861 |
| a | 21.2101 ± 0.0005 Å |
| b | 16.0103 ± 0.0004 Å |
| c | 32.8449 ± 0.0008 Å |
| α | 90° |
| β | 103.058 ± 0.003° |
| γ | 90° |
| Cell volume | 10865.1 ± 0.5 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1166 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178737 (current) | 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. |
4084879.cif |
| 131477 | 2015-02-08 | cif/ Updating files of 4084876, 4084877, 4084878, 4084879, 4084880, 4084881 Original log message: Adding full bibliography for 4084876--4084881.cif. |
4084879.cif |
| 128432 | 2014-12-06 | cif/ Adding structures of 4084876, 4084877, 4084878, 4084879, 4084880, 4084881 via cif-deposit CGI script. |
4084879.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.