Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543982
Preview
| Coordinates | 1543982.cif |
|---|---|
| Structure factors | 1543982.hkl |
| Original IUCr paper | HTML |
| Chemical name | (η^2^,η^2^-cycloocta-1,5-diene)[2-(diphenylphosphanylmethyl)pyridine-κ^2^<i>N</i>,<i>P</i>]rhodium(I) tetrafluoridoborate 1,2-dichloroethane monosolvate |
|---|---|
| Formula | C26 H28 B F4 N P Rh |
| Calculated formula | C26 H28 B F4 N P Rh |
| SMILES | [Rh]1234([P](Cc5[n]1cccc5)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-] |
| Title of publication | (η^2^,η^2^-Cycloocta-1,5-diene)[2-(diphenylphosphanylmethyl)pyridine-κ^2^<i>N</i>,<i>P</i>]rhodium(I) tetrafluoridoborate 1,2-dichloroethane monosolvate |
| Authors of publication | Wei, Siping; Möller, Saskia; Heller, Detlef; Drexler, Hans-Joachim |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 8 |
| Pages of publication | x161318 |
| a | 8.7638 ± 0.0002 Å |
| b | 9.2286 ± 0.0002 Å |
| c | 16.7192 ± 0.0003 Å |
| α | 89.402 ± 0.001° |
| β | 88.904 ± 0.001° |
| γ | 76.121 ± 0.001° |
| Cell volume | 1312.47 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0213 |
| Residual factor for significantly intense reflections | 0.0205 |
| Weighted residual factors for significantly intense reflections | 0.0535 |
| Weighted residual factors for all reflections included in the refinement | 0.0539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186048 (current) | 2016-08-27 | cif/ hkl/ Adding structures of 1543982 via cif-deposit CGI script. |
1543982.cif 1543982.hkl |
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.