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Information card for entry 4115647
Preview
Coordinates | 4115647.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H41 K O6 Si |
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Calculated formula | C30 H41 K O6 Si |
SMILES | [SiH2](c1ccccc1)(c1ccccc1)c1ccccc1.[K]12345[O]6CC[O]3CC[O]2CC[O]4CC[O]5CC[O]1CC6 |
Title of publication | The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions |
Authors of publication | Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2001 |
Journal volume | 123 |
Pages of publication | 7736 - 7737 |
a | 9.3861 ± 0.0005 Å |
b | 20.2252 ± 0.001 Å |
c | 16.5969 ± 0.001 Å |
α | 90° |
β | 103.54 ± 0.003° |
γ | 90° |
Cell volume | 3063.1 ± 0.3 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1095 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.1232 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178927 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/56. |
4115647.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115647.cif |
69249 | 2012-12-04 | cif/ Adding structures of 4115647 via cif-deposit CGI script. |
4115647.cif |
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Users of the data should acknowledge the original authors of the
structural data.