Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4063296
Preview
Coordinates | 4063296.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H27 Mo O2 P S4 W |
---|---|
Calculated formula | C23 H27 Mo O2 P S4 W |
SMILES | [W]1234567([Mo]([P]1(c1ccccc1)c1ccccc1)([S]2C)([S]3C)(SC)(SC)C#[O])(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]71 |
Title of publication | Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5 |
Authors of publication | Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 2 |
Pages of publication | 440 - 446 |
a | 8.9691 ± 0.0008 Å |
b | 18.7791 ± 0.0014 Å |
c | 15.62 ± 0.002 Å |
α | 90° |
β | 93.421 ± 0.01° |
γ | 90° |
Cell volume | 2626.2 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0696 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0777 |
Weighted residual factors for all reflections included in the refinement | 0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
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/4063296.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.