Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7044727
Preview
| Coordinates | 7044727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H54 O3.5 P2 Pd S2 |
|---|---|
| Calculated formula | C46 H54 O3.5 P2 Pd S2 |
| Title of publication | Regioisomerism in coordination chemistry: oxidative addition of bifunctional ligand to palladium, stabilized with 1,2-bis(diphenylphosphino)ethane |
| Authors of publication | Martyanov, Konstantin A.; Cherkasov, Vladimir Kuz'mich; Abakumov, Gleb Arsent'evich; Baranov, Evgeny V.; Shavyrin, Andrey; Kuropatov, Viacheslav |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| a | 10.956 ± 0.0003 Å |
| b | 12.6502 ± 0.0004 Å |
| c | 17.8929 ± 0.0006 Å |
| α | 100.177 ± 0.001° |
| β | 106.263 ± 0.001° |
| γ | 108.579 ± 0.001° |
| Cell volume | 2158.08 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.0664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203025 (current) | 2017-11-10 | cif/ Adding structures of 7044726, 7044727 via cif-deposit CGI script. |
7044727.cif |
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.