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Information card for entry 4134357
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Coordinates | 4134357.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 17066-NiScL3 |
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Formula | C39 H63 N3 Ni P3 Sc |
Calculated formula | C39 H63 N3 Ni P3 Sc |
SMILES | c1(ccccc1)N1C[P](C(C)C)(C(C)C)[Ni]23[Sc]1(N(c1ccccc1)C[P]2(C(C)C)C(C)C)N(c1ccccc1)C[P]3(C(C)C)C(C)C |
Title of publication | Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support. |
Authors of publication | Ramirez, Bianca L.; Lu, Connie C. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
a | 14.7276 ± 0.0006 Å |
b | 14.7276 ± 0.0006 Å |
c | 34.9107 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6557.7 ± 0.5 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0493 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.0794 |
Weighted residual factors for all reflections included in the refinement | 0.086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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