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Information card for entry 7106736
Preview
Coordinates | 7106736.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H58 Ni2 P2 |
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Calculated formula | C42 H58 Ni2 P2 |
SMILES | [Ni]1234([Ni]5([P](C(C)C)(C(C)C)C(C)C)([c]61[cH]5cccc6c1ccccc21)[C]13=CC=CC=C1c1ccccc41)[P](C(C)C)(C(C)C)C(C)C |
Title of publication | Mechanistic Implications of an Asymmetric Intermediate in Catalytic C - C Coupling by a Dinuclear Nickel Complex |
Authors of publication | Robert Beck; Samuel A. Johnson |
Journal of publication | Chem.Commun. |
Year of publication | 2011 |
Journal volume | 47 |
Pages of publication | 9233 |
a | 11.0185 ± 0.0014 Å |
b | 12.6516 ± 0.0017 Å |
c | 15.558 ± 0.002 Å |
α | 83.474 ± 0.001° |
β | 70.905 ± 0.001° |
γ | 68.15 ± 0.001° |
Cell volume | 1902.2 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0582 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0889 |
Weighted residual factors for all reflections included in the refinement | 0.096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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