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Information card for entry 4115662
Preview
Coordinates | 4115662.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H46 B Cl4 F4 I N2 P2 Pt |
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Calculated formula | C45 H46 B Cl4 F4 I N2 P2 Pt |
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 | 18.989 ± 0.001 Å |
b | 15.97 ± 0.001 Å |
c | 15.586 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4726.5 ± 0.5 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 9 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.084 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for all reflections | 0.056 |
Weighted residual factors for all reflections included in the refinement | 0.053 |
Goodness-of-fit parameter for all reflections | 1.23 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.419 |
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/4115662.html
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structural data.