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Information card for entry 4084633
Preview
Coordinates | 4084633.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H38 Br2 Ni O2 P2 |
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Calculated formula | C24 H38 Br2 Ni O2 P2 |
SMILES | C(C)([P](C(C)C)(Oc1ccccc1)[Ni](Br)([P](C(C)C)(Oc1ccccc1)C(C)C)Br)C |
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 | 8.2865 ± 0.0008 Å |
b | 8.7999 ± 0.0008 Å |
c | 10.927 ± 0.001 Å |
α | 109.64 ± 0.04° |
β | 93.043 ± 0.004° |
γ | 114.612 ± 0.003° |
Cell volume | 664.7 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0284 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0748 |
Weighted residual factors for all reflections included in the refinement | 0.0751 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/4084633.html
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