Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4115646
Preview
Coordinates | 4115646.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H41 K O6 Si |
---|---|
Calculated formula | C30 H43 K O6 Si |
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 | 9.4424 ± 0.0015 Å |
b | 9.4424 ± 0.0015 Å |
c | 9.4424 ± 0.0015 Å |
α | 97.93 ± 0.01° |
β | 97.93 ± 0.01° |
γ | 97.93 ± 0.01° |
Cell volume | 815.2 ± 0.2 Å3 |
Cell temperature | 393 ± 2 K |
Ambient diffraction temperature | 393 ± 2 K |
Number of distinct elements | 5 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :R |
Hall space group symbol | P 3* |
Residual factor for all reflections | 0.0862 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.079 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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. |
4115646.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115646.cif |
69248 | 2012-12-04 | cif/ Adding structures of 4115646 via cif-deposit CGI script. |
4115646.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.