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Information card for entry 1556740
Preview
Coordinates | 1556740.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H30 O4 S2 Si2 |
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Calculated formula | C22 H30 O4 S2 Si2 |
SMILES | C(#C[Si](C)(C)C)/C=C(/c1ccc(cc1)C(=C\C#C[Si](C)(C)C)\S(=O)(=O)C)S(=O)(=O)C |
Title of publication | Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. |
Authors of publication | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes |
Journal of publication | IUCrJ |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | Pt 5 |
Pages of publication | 584 - 600 |
a | 5.73 ± 0.0003 Å |
b | 10.2961 ± 0.0005 Å |
c | 10.9801 ± 0.0006 Å |
α | 85.9433 ± 0.0017° |
β | 79.7181 ± 0.0016° |
γ | 80.115 ± 0.0015° |
Cell volume | 627.39 ± 0.06 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0417 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0386 |
Weighted residual factors for all reflections included in the refinement | 0.0393 |
Goodness-of-fit parameter for significantly intense reflections | 2.39 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.19 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1556740.html
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