Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4086765
Preview
Coordinates | 4086765.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H98 O5 Si W |
---|---|
Calculated formula | C74 H98 O5 Si W |
SMILES | [W]1234(O[Si@@]5(c6c7c(cc8c6C(CC8(CC)CC)(CC)CC)C(CC7(CC)CC)(CC)CC)OC(c6c([C@@H]5c5ccc(cc5)C)ccc(c6)C)(c5ccc(cc5)C)c5ccc(cc5)C)(C#[O])(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.[W]1234(O[Si@]5(c6c7c(cc8c6C(CC8(CC)CC)(CC)CC)C(CC7(CC)CC)(CC)CC)OC(c6c([C@H]5c5ccc(cc5)C)ccc(c6)C)(c5ccc(cc5)C)c5ccc(cc5)C)(C#[O])(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.CCOCC.CCOCC |
Title of publication | A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones |
Authors of publication | Takashi Yoshimoto; Hisako Hashimoto; Naoki Hayakawa; Tsukasa Matsuo; Hiromi Tobita |
Journal of publication | Organometallics |
Year of publication | 2016 |
Pages of publication | 3444 - 3447 |
a | 11.9621 ± 0.0001 Å |
b | 13.1248 ± 0.0001 Å |
c | 22.4795 ± 0.0008 Å |
α | 86.6323 ± 0.0009° |
β | 80.8412 ± 0.0014° |
γ | 69.4944 ± 0.0012° |
Cell volume | 3263.5 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1061 |
Residual factor for significantly intense reflections | 0.0875 |
Weighted residual factors for significantly intense reflections | 0.1963 |
Weighted residual factors for all reflections included in the refinement | 0.2056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
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/4086765.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.