Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133737
Preview
Coordinates | 4133737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H106 B N Si5 |
---|---|
Calculated formula | C66 H106 B N Si5 |
SMILES | [Si]123[Si]4([Si]1([Si]([Si]24c1c(cc(cc1C(C)C)C(C)C)C(C)C)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)B3N(C(C)C)C(C)C |
Title of publication | Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters. |
Authors of publication | Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
a | 13.5006 ± 0.0006 Å |
b | 13.5798 ± 0.0006 Å |
c | 18.9871 ± 0.0008 Å |
α | 98.387 ± 0.002° |
β | 92.938 ± 0.002° |
γ | 106.305 ± 0.002° |
Cell volume | 3289.7 ± 0.3 Å3 |
Cell temperature | 132 ± 2 K |
Ambient diffraction temperature | 132 ± 2 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 | 0.0527 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0889 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4133737.html
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.