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Information card for entry 4106940
Preview
Coordinates | 4106940.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H63 K O6 Si3 Y |
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Calculated formula | C36 H63 K O6 Si3 Y |
SMILES | [Y]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[c]4%13[Si](C)(C)C)([cH]1[c]8([Si](C)(C)C)[cH]7[cH]6[cH]51)[cH]1[cH]9[cH]%10[cH]%11[c]%121[Si](C)(C)C.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6 |
Title of publication | Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y] |
Authors of publication | Matthew R. MacDonald; Joseph W. Ziller; William J. Evans |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 15914 - 15917 |
a | 11.2664 ± 0.0007 Å |
b | 16.9596 ± 0.0011 Å |
c | 22.4797 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4295.3 ± 0.5 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0342 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0572 |
Weighted residual factors for all reflections included in the refinement | 0.0592 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/4106940.html
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Users of the data should acknowledge the original authors of the
structural data.