Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4075451
Preview
Coordinates | 4075451.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [PdCl(PCP-Ph)].2DMF |
---|---|
Formula | C36 H39 Cl N4 O2 P2 Pd |
Calculated formula | C36 H39 Cl N4 O2 P2 Pd |
SMILES | [Pd]12(Cl)[P](Nc3c2c(N[P]1(c1ccccc1)c1ccccc1)ccc3)(c1ccccc1)c1ccccc1.O=CN(C)C.O=CN(C)C |
Title of publication | A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes |
Authors of publication | Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 16 |
Pages of publication | 3817 |
a | 12.9104 ± 0.0006 Å |
b | 14.3253 ± 0.0006 Å |
c | 18.6546 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3450.1 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0246 |
Residual factor for significantly intense reflections | 0.0234 |
Weighted residual factors for significantly intense reflections | 0.0615 |
Weighted residual factors for all reflections included in the refinement | 0.0628 |
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 | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4075451.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.