Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7114659
Preview
Coordinates | 7114659.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H34 F12 Fe O7 P2 Ru3 S |
---|---|
Calculated formula | C53 H34 F12 Fe O7 P2 Ru3 S |
SMILES | [Ru]1234([H][Ru]561([H][Ru]25([S]36)(C#[O])(C#[O])C#[O])([P]([C@@H]([c]12[cH]3[Fe]56789%101([c]2([cH]5[cH]36)c1c([P]4(c2ccccc2)c2ccccc2)cccc1)[cH]1[cH]7[cH]8[cH]9[cH]%101)C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(C#[O])C#[O])(C#[O])C#[O] |
Title of publication | Diastereomeric control of enantioselectivity: evidence for metal cluster catalysis |
Authors of publication | Ahmed F. Abdel-Magied; Amrendra K. Singh; Matti Haukka; Michael G. Richmond; Ebbe Nordlander |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 7705 |
a | 11.9655 ± 0.0004 Å |
b | 20.1151 ± 0.0005 Å |
c | 49.045 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 11804.5 ± 0.9 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 8 |
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 | 0.1523 |
Residual factor for significantly intense reflections | 0.1029 |
Weighted residual factors for significantly intense reflections | 0.1685 |
Weighted residual factors for all reflections included in the refinement | 0.1984 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
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/7114659.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.