Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083560
Preview
Coordinates | 4083560.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H46 B9 Cl3 N P2 Rh S |
---|---|
Calculated formula | C43 H46 B9 Cl3 N P2 Rh S |
SMILES | [Rh]12345([S]67[BH]892[BH]2%105[B]51([n]1c(cccc1)C)[BH]1%114[BH]436[BH]378[BH]69%10[BH]251[BH]%11436)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl |
Title of publication | Hydridorhodathiaboranes: Synthesis, Characterization, and Reactivity |
Authors of publication | Álvarez, Álvaro; Calvo, Beatriz; Mac\?ías, Ramón; Lahoz, Fernando J.; Oro, Luis A. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 12 |
Pages of publication | 3137 |
a | 11.4935 ± 0.0011 Å |
b | 22.644 ± 0.002 Å |
c | 17.3387 ± 0.0017 Å |
α | 90° |
β | 91.559 ± 0.002° |
γ | 90° |
Cell volume | 4510.9 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1261 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1164 |
Weighted residual factors for all reflections included in the refinement | 0.1398 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4083560.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.