Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081885
Preview
Coordinates | 4081885.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Integration of K102Duo |
---|---|
Formula | C70 H92 N P Sn |
Calculated formula | C70 H92 N P Sn |
SMILES | [Sn]1(c2c(P(c3ccccc3)(=[N]1C13CC4CC(CC(C1)C4)C3)c1ccccc1)cccc2)c1c(c2c(C(C)C)cc(C(C)C)cc2C(C)C)cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C.CCCCCC |
Title of publication | Stannylene-Based Lewis Pairs |
Authors of publication | Freitag, Sarah; Krebs, Kilian M.; Henning, Jens; Hirdler, Janina; Schubert, Hartmut; Wesemann, Lars |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 22 |
Pages of publication | 6785 |
a | 28.7237 ± 0.0014 Å |
b | 23.8226 ± 0.0011 Å |
c | 17.6686 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12090.1 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0833 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.1013 |
Weighted residual factors for all reflections included in the refinement | 0.1158 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
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/4081885.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.