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Information card for entry 4084634
Preview
Coordinates | 4084634.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H37 Br Ni O2 P2 |
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Calculated formula | C24 H37 Br Ni O2 P2 |
SMILES | Br[Ni]1(c2c(cccc2)O[P]1(C(C)C)C(C)C)[P](C(C)C)(C(C)C)Oc1ccccc1 |
Title of publication | Ortho Derivatization of Phenols through C‒H Nickelation: Synthesis, Characterization, and Reactivities of Ortho-Nickelated Phosphinite Complexes |
Authors of publication | Vabre, Boris; Deschamps, Félix; Zargarian, Davit |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 22 |
Pages of publication | 6623 |
a | 10.7627 ± 0.0004 Å |
b | 13.6755 ± 0.0005 Å |
c | 17.913 ± 0.006 Å |
α | 90° |
β | 93.718 ± 0.0016° |
γ | 90° |
Cell volume | 2631 ± 0.9 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
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 | 0.0325 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0842 |
Weighted residual factors for all reflections included in the refinement | 0.0849 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4084634.html
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