Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556337
Preview
Coordinates | 1556337.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3 |
---|---|
Calculated formula | C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3 |
SMILES | [B](F)(F)(F)[F-].[C@@H]1(CC[C@@H]([P]21[Rh]1([Cl]([Rh]3([Br]14)[P]1(c5c(cccc5)[P]53[C@H](CC[C@@H]5C)C)[C@@H](C)CC[C@@H]1C)[Rh]14[P]3(c4ccccc4[P]41[C@@H](C)CC[C@@H]4C)[C@@H](C)CC[C@@H]3C)[P]1(c3ccccc23)[C@H](CC[C@@H]1C)C)C)C |
Title of publication | Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis |
Authors of publication | Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef |
Journal of publication | Catal. Sci. Technol. |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 2 |
Pages of publication | 462 |
a | 16.431 ± 0.003 Å |
b | 20.348 ± 0.004 Å |
c | 21.116 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7060 ± 2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0321 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.042 |
Weighted residual factors for all reflections included in the refinement | 0.043 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.769 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1556337.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.