Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4066555
Preview
Coordinates | 4066555.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Sm(O2N_py){N(SiMe3)2}(OEt2) |
---|---|
Formula | C46 H78 N3 O3 Si2 Sm |
Calculated formula | C46 H78 N3 O3 Si2 Sm |
SMILES | [Sm]123(Oc4c(cc(cc4C[N]3(Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)Cc1[n]2cccc1)C(C)(C)C)C(C)(C)C)([O](CC)CC)N([Si](C)(C)C)[Si](C)(C)C |
Title of publication | Ring-Opening Polymerization ofrac-Lactide by Bis(phenolate)amine-Supported Samarium Borohydride Complexes: An Experimental and DFT Study |
Authors of publication | Dyer, Hellen E.; Huijser, Saskia; Susperregui, Nicolas; Bonnet, Fanny; Schwarz, Andrew D.; Duchateau, Robbert; Maron, Laurent; Mountford, Philip |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 16 |
Pages of publication | 3602 |
a | 11.1971 ± 0.0002 Å |
b | 14.6834 ± 0.0002 Å |
c | 15.6788 ± 0.0003 Å |
α | 97.5854 ± 0.0006° |
β | 98.3658 ± 0.0007° |
γ | 103.118 ± 0.0008° |
Cell volume | 2447.09 ± 0.07 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0445 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for all reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.04 |
Weighted residual factors for all reflections included in the refinement | 0.04 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0878 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4066555.html
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.