Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040627
Preview
Coordinates | 7040627.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H70 B2 K4 N4 Na4 O109 Sm2 W22 |
---|---|
Calculated formula | C8 H20 B2 K4 N4 Na4 O109 Sm2 W22 |
SMILES | [Sm]1234567(O=[W]89%10(O[W]%11%12%13(=O)O[W]%14%15(O[W]%16%17%18([O]%19%20[B]%21([O]%22[W]%23(=O)(O[W]%24%22(O[W]%22%25(=O)(O[W]%26([O]%21%25[W](O%22)(O%23)(O%26)(=O)O%13)(O%18)(=O)O%14)O[W]%20(=O)(O%16)(O[W]%19(=O)(O%17)(=[O]1)O9)O%24)(=O)=[O]3)(O%11)=[O]2)[O]%10%12%15)=O)(O8)=O)=O)[O]=C(O[Sm]1238([O]4C(=[O]1)C[NH3+])(O=[W]149(O[W]%10%11%12(=O)O[W]%13%14(O[W]%15%16%17([O]%18%19[B]%20([O]%21[W]%22(=O)(O[W]%23%21(O[W]%21%24(=O)(O[W]%25([O]%20%24[W](O%21)(O%22)(O%25)(=O)O%12)(O%17)(=O)O%13)O[W]%19(=O)(O%15)(O[W]%18(=O)(O%16)(=[O]2)O4)O%23)(=O)=[O]8)(O%10)=[O]3)[O]9%11%14)=O)(O1)=O)=O)([O]=C(O5)C[NH3+])[O]6C(=[O]7)C[NH3+])C[NH3+].[Na+].O.[Na+].O.[K+].O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.[K+].[K+].O.[K+].O.O.O.O.O.O.O.O |
Title of publication | First quadruple-glycine bridging mono-lanthanide-substituted borotungstate hybrids. |
Authors of publication | Liu, Jiancai; Yu, Jing; Han, Qing; Wen, Yue; Chen, Lijuan; Zhao, Junwei |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 41 |
Pages of publication | 16471 - 16484 |
a | 11.7598 ± 0.0007 Å |
b | 21.7014 ± 0.0014 Å |
c | 21.756 ± 0.0014 Å |
α | 90° |
β | 92.425 ± 0.001° |
γ | 90° |
Cell volume | 5547.2 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 9 |
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 | 0.0779 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.0654 |
Weighted residual factors for all reflections included in the refinement | 0.0717 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/7040627.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.