Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4107044
Preview
Coordinates | 4107044.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(?-tBuPCHP)Pd]2 |
---|---|
Chemical name | (6) |
Formula | C48 H88 P4 Pd2 |
Calculated formula | C48 H88 P4 Pd2 |
SMILES | c12cc(ccc2)C[P](C(C)(C)C)(C(C)(C)C)[Pd][P](Cc2cc(ccc2)C[P](C(C)(C)C)(C(C)(C)C)[Pd][P](C1)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C |
Title of publication | Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes |
Authors of publication | Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 17713 - 17726 |
a | 25.584 ± 0.002 Å |
b | 16.592 ± 0.0016 Å |
c | 12.069 ± 0.0012 Å |
α | 90° |
β | 99.808 ± 0.004° |
γ | 90° |
Cell volume | 5048.3 ± 0.8 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.2064 |
Residual factor for significantly intense reflections | 0.0766 |
Weighted residual factors for significantly intense reflections | 0.1368 |
Weighted residual factors for all reflections included in the refinement | 0.1731 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
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/4107044.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.