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Information card for entry 4079956
Preview
Coordinates | 4079956.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H66 Li N Ni O6 P2 |
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Calculated formula | C32 H66 Li N Ni O6 P2 |
SMILES | [Ni]12(P(=Cc3[n]2c(ccc3)C=P1(C(C)C)C(C)C)(C(C)C)C(C)C)C.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C |
Title of publication | Anionic Nickel(II) Complexes with Doubly Deprotonated PNP Pincer-Type Ligands and Their Reactivity toward CO2 |
Authors of publication | Vogt, Matthias; Rivada-Wheelaghan, Orestes; Iron, Mark A.; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 1 |
Pages of publication | 300 |
a | 11.1865 ± 0.0007 Å |
b | 16.1597 ± 0.0013 Å |
c | 21.9789 ± 0.0016 Å |
α | 90° |
β | 103.46 ± 0.002° |
γ | 90° |
Cell volume | 3864 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0607 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0704 |
Weighted residual factors for all reflections included in the refinement | 0.0809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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