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Information card for entry 4107258
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Coordinates | 4107258.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H33 B F20 Si |
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Calculated formula | C45 H33 B F20 Si |
Title of publication | Silylium-Arene Adducts: An Experimental and Theoretical Study |
Authors of publication | Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 21016 - 21027 |
a | 14.3401 ± 0.0007 Å |
b | 19.2559 ± 0.001 Å |
c | 16.861 ± 0.0008 Å |
α | 90° |
β | 113.164 ± 0.002° |
γ | 90° |
Cell volume | 4280.5 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1057 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.0887 |
Weighted residual factors for all reflections included in the refinement | 0.1029 |
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 | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178818 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72. |
4107258.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4107258.cif |
54910 | 2012-04-30 | cif/ Adding structures of 4107258 via cif-deposit CGI script. |
4107258.cif |
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Users of the data should acknowledge the original authors of the
structural data.