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Information card for entry 4115661
Preview
Coordinates | 4115661.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H75 B F4 N2 P2 Pt |
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Calculated formula | C41 H75 B F4 N2 P2 Pt |
SMILES | [PtH](=C1N(C)C=CN1C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-] |
Title of publication | Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study |
Authors of publication | David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2001 |
Journal volume | 123 |
Pages of publication | 8317 - 8328 |
a | 12.245 ± 0.003 Å |
b | 16.533 ± 0.004 Å |
c | 21.36 ± 0.004 Å |
α | 90° |
β | 96.348 ± 0.005° |
γ | 90° |
Cell volume | 4297.7 ± 1.7 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.074 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for all reflections | 0.044 |
Weighted residual factors for all reflections included in the refinement | 0.04 |
Goodness-of-fit parameter for all reflections | 1.035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4115661.html
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Users of the data should acknowledge the original authors of the
structural data.