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Information card for entry 4072044
Preview
Coordinates | 4072044.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H37 Br Ni P2 |
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Calculated formula | C17 H37 Br Ni P2 |
SMILES | Br[Ni]12[P](CCC2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C |
Title of publication | Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents |
Authors of publication | Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 21 |
Pages of publication | 5723 |
a | 8.4858 ± 0.0002 Å |
b | 11.859 ± 0.0003 Å |
c | 20.8903 ± 0.0005 Å |
α | 90° |
β | 90.796 ± 0.001° |
γ | 90° |
Cell volume | 2102.05 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0382 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0811 |
Weighted residual factors for all reflections included in the refinement | 0.0838 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4072044.html
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