Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7029424
Preview
Coordinates | 7029424.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H26 Cl8 N2 Pd2 |
---|---|
Calculated formula | C21 H26 Cl8 N2 Pd2 |
SMILES | [Pd]12(c3c(ccc(c3[C@H](C)[N]2(C)C)Cl)Cl)[Cl][Pd]2(c3c(ccc(c3[C@H](C)[N]2(C)C)Cl)Cl)[Cl]1.C(Cl)Cl |
Title of publication | Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction. |
Authors of publication | Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 15 |
Pages of publication | 5777 - 5784 |
a | 8.8571 ± 0.0002 Å |
b | 14.1867 ± 0.0003 Å |
c | 11.1258 ± 0.0003 Å |
α | 90° |
β | 95.091 ± 0.001° |
γ | 90° |
Cell volume | 1392.48 ± 0.06 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0237 |
Residual factor for significantly intense reflections | 0.0226 |
Weighted residual factors for significantly intense reflections | 0.046 |
Weighted residual factors for all reflections included in the refinement | 0.0466 |
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 | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7029424.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.