Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1546542
Preview
Coordinates | 1546542.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H60 Nb O2 P3 Si Sn |
---|---|
Calculated formula | C43 H60 Nb O2 P3 Si Sn |
SMILES | [Sn](#[Nb]12([P](C[Si](C[P]1(C)C)(C[P]2(C)C)C)(C)C)(C#[O])C#[O])c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1(ccccc1)C |
Title of publication | Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl) |
Authors of publication | Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 8.5148 ± 0.0006 Å |
b | 23.2579 ± 0.0016 Å |
c | 12.0766 ± 0.0008 Å |
α | 90° |
β | 108.779 ± 0.002° |
γ | 90° |
Cell volume | 2264.3 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0782 |
Residual factor for significantly intense reflections | 0.0703 |
Weighted residual factors for significantly intense reflections | 0.1707 |
Weighted residual factors for all reflections included in the refinement | 0.1737 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.233 |
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/1546542.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.