Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4086466
Preview
Coordinates | 4086466.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | W-complex |
---|---|
Chemical name | W-complex |
Formula | C21 H38 N2 O S W |
Calculated formula | C21 H38 N2 O S W |
SMILES | [W]123456(SC)([O]=C1C)([N](=C(C)N2C(C)C)C(C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C |
Title of publication | Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O |
Authors of publication | Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 8 |
Pages of publication | 1132 |
a | 8.7355 ± 0.0004 Å |
b | 15.6039 ± 0.0006 Å |
c | 16.2732 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2218.17 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0178 |
Residual factor for significantly intense reflections | 0.0156 |
Weighted residual factors for significantly intense reflections | 0.0315 |
Weighted residual factors for all reflections included in the refinement | 0.0322 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/4086466.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.