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Information card for entry 4300238
Preview
Coordinates | 4300238.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C144 H178 Na6 O12 |
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Calculated formula | C144.14 H170 Na6 O12 |
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]=Cc1ccccc1)[O]=Cc1ccccc1)[O]=Cc1ccccc1)[O]=Cc1ccccc1)[O]=Cc1ccccc1)[O]=Cc1ccccc1.c1ccccc1.c1ccccc1.CCCCCCC |
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 | 14.2323 ± 0.0002 Å |
b | 14.8545 ± 0.0003 Å |
c | 18.3521 ± 0.0004 Å |
α | 105.439 ± 0.001° |
β | 109.517 ± 0.001° |
γ | 99.182 ± 0.001° |
Cell volume | 3390.56 ± 0.12 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1462 |
Residual factor for significantly intense reflections | 0.0833 |
Weighted residual factors for significantly intense reflections | 0.2221 |
Weighted residual factors for all reflections included in the refinement | 0.2719 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4300238.html
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Users of the data should acknowledge the original authors of the
structural data.