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Information card for entry 4314048
Preview
Coordinates | 4314048.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | K6(OBP)6(THF)6 |
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Formula | C84 H126 K6 O12 |
Calculated formula | C84 H126 K6 O12 |
SMILES | [K]12([O]3([K]4([O]1(c1ccccc1C(C)(C)C)[K]1([O]5([K]([O]6([K]3([O]2(c2ccccc2C(C)(C)C)[K]56[O]2CCCC2)[O]2CCCC2)c2ccccc2C(C)(C)C)([O]41c1ccccc1C(C)(C)C)[O]1CCCC1)c1ccccc1C(C)(C)C)[O]1CCCC1)[O]1CCCC1)c1ccccc1C(C)(C)C)[O]1CCCC1 |
Title of publication | Structural Variations of Potassium Aryloxides |
Authors of publication | Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 5357 - 5366 |
a | 22.361 ± 0.006 Å |
b | 16.593 ± 0.004 Å |
c | 24.428 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9064 ± 4 Å3 |
Cell temperature | 168 ± 2 K |
Ambient diffraction temperature | 168 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1275 |
Residual factor for significantly intense reflections | 0.0851 |
Weighted residual factors for significantly intense reflections | 0.2274 |
Weighted residual factors for all reflections included in the refinement | 0.2634 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/4314048.html
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Users of the data should acknowledge the original authors of the
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