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Information card for entry 4300241
Preview
Coordinates | 4300241.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C134 H206 Na6 O12 |
---|---|
Calculated formula | C134 H206 Na6 O12 |
SMILES | C(c1c(c(C(C)(C)C)cc(c1)C(C)(C)C)[O]12[Na]34[O]=C(C5CCCCC5)C)(c5c(c(C(C)(C)C)cc(C(C)(C)C)c5)[O]56[Na]17[O]=C(C1CCCCC1)C)c1c(c(C(C)(C)C)cc(C(C)(C)C)c1)[O]31[Na]5([O]=C(C3CCCCC3)C)[O]3([Na]15[O]=C(C1CCCCC1)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(c1c(c(C(C)(C)C)cc(C(C)(C)C)c1)[O]71[Na]63[O]=C(C3CCCCC3)C)c3c(c(C(C)(C)C)cc(C(C)(C)C)c3)[O]45[Na]21[O]=C(C1CCCCC1)C |
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 | 24.1127 ± 0.0012 Å |
b | 24.1127 ± 0.0012 Å |
c | 37.981 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 19124.4 ± 1.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0795 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1469 |
Weighted residual factors for all reflections included in the refinement | 0.166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4300241.html
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