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Information card for entry 4081229
Preview
Coordinates | 4081229.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1-(Ferrocenyldimethylsilyl)-4-(dimethylphenylsilyl)dodecamethylbicyclo[2.2.2]octasilane |
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Formula | C32 H62 Fe Si10 |
Calculated formula | C32 H62 Fe Si10 |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[Si](C)(C)[Si]12[Si](C)(C)[Si](C)(C)[Si]([Si]([Si]1(C)C)(C)C)([Si]([Si]2(C)C)(C)C)[Si](C)(C)c1ccccc1)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes. |
Authors of publication | Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 16 |
Pages of publication | 4490 - 4500 |
a | 9.7295 ± 0.0005 Å |
b | 11.0452 ± 0.0005 Å |
c | 21.0052 ± 0.0009 Å |
α | 94.983 ± 0.002° |
β | 96.29 ± 0.002° |
γ | 98.578 ± 0.002° |
Cell volume | 2206.36 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0676 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.11 |
Weighted residual factors for all reflections included in the refinement | 0.1361 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
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/4081229.html
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Users of the data should acknowledge the original authors of the
structural data.