Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4326333
Preview
Coordinates | 4326333.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | jonsk40 |
---|---|
Chemical name | Ni(PONOP)Cl PPh4 |
Formula | C45 H59 B Cl N Ni O2 P2 |
Calculated formula | C45 H59 B Cl N Ni O2 P2 |
SMILES | [Ni]12([P](Oc3[n]1c(O[P]2(C(C)(C)C)C(C)(C)C)ccc3)(C(C)(C)C)C(C)(C)C)Cl.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes |
Authors of publication | Sabuj Kundu; William W. Brennessel; William D. Jones |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 9443 - 9453 |
a | 16.3616 ± 0.001 Å |
b | 13.9083 ± 0.0008 Å |
c | 20.3935 ± 0.0013 Å |
α | 90° |
β | 112.401 ± 0.001° |
γ | 90° |
Cell volume | 4290.6 ± 0.5 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.072 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/4326333.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.