Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7007251
Preview
Coordinates | 7007251.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C67 H89 F18 Mn N6 O6 P7 Ru |
---|---|
Calculated formula | C67 H89 F18 Mn N6 O6 P7 Ru |
SMILES | [Ru]([N]#C[Mn]12([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])([NH3])([NH3])([NH3])([NH3])[NH3].CC(=O)C.CC(=O)C.CC(=O)C.CC(=O)C.CC(=O)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Metal-metal charge transfer and solvatochromism in cyanomanganese carbonyl complexes of ruthenium and osmium. |
Authors of publication | Adams, Christopher J.; Connelly, Neil G.; Goodwin, Nicholas J.; Hayward, Owen D.; Orpen, A. Guy; Wood, Andrew J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 29 |
Pages of publication | 3584 - 3596 |
a | 11.596 ± 0.008 Å |
b | 14.943 ± 0.008 Å |
c | 25.237 ± 0.015 Å |
α | 104.96 ± 0.02° |
β | 100.72 ± 0.04° |
γ | 98.59 ± 0.03° |
Cell volume | 4060 ± 4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1837 |
Residual factor for significantly intense reflections | 0.071 |
Weighted residual factors for significantly intense reflections | 0.0997 |
Weighted residual factors for all reflections included in the refinement | 0.1358 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
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/7007251.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.