Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4128486
Preview

Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4128486.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H68 N6 Ni Si2 |
---|---|
Calculated formula | C37 H68 N6 Ni Si2 |
SMILES | [Ni](=[Si](N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)N)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C |
Title of publication | Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel. |
Authors of publication | Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 7 |
Pages of publication | 3304 - 3314 |
a | 18.5126 ± 0.0004 Å |
b | 11.665 ± 0.0002 Å |
c | 20.9368 ± 0.0004 Å |
α | 90° |
β | 113.769 ± 0.002° |
γ | 90° |
Cell volume | 4137.79 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0456 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.1049 |
Weighted residual factors for all reflections included in the refinement | 0.1104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4128486.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.