Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4300240
Preview
Coordinates | 4300240.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C150 H216 Na6 O13 |
---|---|
Calculated formula | C150 H216 Na6 O13 |
SMILES | [Na]12([O]34[Na]5([O]67[Na]8([O]1(c1c(C(c9c3c(C(C)(C)C)cc(C(C)(C)C)c9)c3c6c(C(C)(C)C)cc(C(C)(C)C)c3)cc(cc1C(C)(C)C)C(C)(C)C)[Na]1([O]38[Na]7([O]65[Na]4([O]21c1c(C(c2c3c(C(C)(C)C)cc(C(C)(C)C)c2)c2c6c(C(C)(C)C)cc(C(C)(C)C)c2)cc(cc1C(C)(C)C)C(C)(C)C)[O]=CC1=C(C)C=CCC1(C)C)[O]=CC1=C(C)C=CCC1(C)C)[O]=CC1=C(C)C=CCC1(C)C)[O]=CC1=C(C)C=CCC1(C)C)[O]=CC1=C(C)C=CCC1(C)C)[O]=CC1=C(C)C=CCC1(C)C.CCOCC |
Title of publication | Alkali Salts of C3-Symmetric, Linked Aryloxides: Selective Binding of Substrates with Metal Aggregates |
Authors of publication | Maarten B. Dinger; Michael J. Scott |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 1238 - 1254 |
a | 18.3501 ± 0.0008 Å |
b | 20.471 ± 0.0009 Å |
c | 19.9503 ± 0.0009 Å |
α | 90° |
β | 102.172 ± 0.001° |
γ | 90° |
Cell volume | 7325.8 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1962 |
Residual factor for significantly intense reflections | 0.0727 |
Weighted residual factors for significantly intense reflections | 0.2032 |
Weighted residual factors for all reflections included in the refinement | 0.2582 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
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/4300240.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.