Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1560491
Preview
Coordinates | 1560491.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H58 Li2 Mg2 O20 |
---|---|
Calculated formula | C56 H58 Li2 Mg2 O20 |
SMILES | [Li]123[O]4[Mg]567([O]=C(c8c4cccc8)OC)[O]1(c1ccccc1C(=[O]2)OC)[Mg]124([O]([Li]8([O]5c5ccccc5C(=[O]6)OC)[O]72c2ccccc2C(=[O]8)OC)c2ccccc2C(=[O]1)OC)[O]3c1ccccc1C(=[O]4)OC.O1CCCC1.O1CCCC1 |
Title of publication | Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste |
Authors of publication | Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr |
Journal of publication | Macromolecules |
Year of publication | 2021 |
Journal volume | 54 |
Journal issue | 5 |
Pages of publication | 2449 - 2465 |
a | 11.256 ± 0.003 Å |
b | 11.97 ± 0.003 Å |
c | 12.208 ± 0.003 Å |
α | 74.86 ± 0.02° |
β | 64.78 ± 0.02° |
γ | 63.45 ± 0.02° |
Cell volume | 1326 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0538 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.1424 |
Weighted residual factors for all reflections included in the refinement | 0.1455 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1560491.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.