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Information card for entry 4115072
Preview
Coordinates | 4115072.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H50 Ni P2 |
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Calculated formula | C31 H50 Ni P2 |
SMILES | [Ni]1([P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C(C)(C)C)=C(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis, Structure, and Reactions of a Three-Coordinate Nickel-Carbene Complex, {1,2-Bis(di-tert-butylphosphino)ethane}NiCPh2 |
Authors of publication | Daniel J. Mindiola; Gregory L. Hillhouse |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 9976 - 9977 |
a | 9.2052 ± 0.0006 Å |
b | 10.1306 ± 0.0006 Å |
c | 16.7175 ± 0.0011 Å |
α | 74.388 ± 0.001° |
β | 83.567 ± 0.001° |
γ | 81.31 ± 0.001° |
Cell volume | 1480.05 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0436 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1007 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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