Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4087045
Preview
Coordinates | 4087045.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H18 Mo2 O6 |
---|---|
Calculated formula | C22 H18 Mo2 O6 |
SMILES | [Mo]12345([Mo]6789(C#[O])(C#[O])(C#[O])[c]%10([cH]9[cH]8[cH]7[cH]6%10)C6([c]75[cH]1[cH]2[cH]3[cH]47)CCCCC6)(C#[O])(C#[O])C#[O] |
Title of publication | Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl |
Authors of publication | Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong |
Journal of publication | Organometallics |
Year of publication | 2003 |
Journal volume | 22 |
Journal issue | 24 |
Pages of publication | 4842 - 4852 |
a | 13.982 ± 0.01 Å |
b | 10.557 ± 0.008 Å |
c | 15.492 ± 0.011 Å |
α | 90° |
β | 114.687 ± 0.011° |
γ | 90° |
Cell volume | 2078 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0463 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0565 |
Weighted residual factors for all reflections included in the refinement | 0.0616 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/4087045.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.