Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2007401
Preview
Coordinates | 2007401.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | bis-(μ-(3,4-dimethylphospholyl))-octacarbonyl-dimanganese |
---|---|
Formula | C20 H16 Mn2 O8 P2 |
Calculated formula | C20 H16 Mn2 O8 P2 |
SMILES | C(#[O])[Mn]1(C#[O])(C#[O])([P]2(C=C(C(=C2)C)C)[Mn](C#[O])(C#[O])(C#[O])(C#[O])[P]21C=C(C)C(=C2)C)C#[O] |
Title of publication | Bis(μ-3,4-dimethylphosphol-1-yl)bis(tetracarbonylmanganese) |
Authors of publication | Flörke, Ulrich; Krampe, Olaf; Haupt, Hans-Jürgen |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1998 |
Journal volume | 54 |
Journal issue | 7 |
Pages of publication | 918 - 920 |
a | 16.886 ± 0.003 Å |
b | 12.481 ± 0.002 Å |
c | 11.521 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2428.1 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 64 |
Hermann-Mauguin space group symbol | C m c a |
Hall space group symbol | -C 2ac 2 |
Residual factor for all reflections | 0.0543 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for all reflections | 0.0932 |
Weighted residual factors for all reflections included in the refinement | 0.0745 |
Goodness-of-fit parameter for all reflections | 1.063 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/2007401.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.