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Information card for entry 4105659
Preview
Coordinates | 4105659.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H38 B Cl F4 N2 P2 Pt |
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Calculated formula | C44 H38 B Cl F4 N2 P2 Pt |
SMILES | [Pt](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(c2c(N1)cccc2)C.[B](F)(F)(F)[F-] |
Title of publication | Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole |
Authors of publication | Tim Kösterke; Tania Pape; F. Ekkehardt Hahn |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 2112 - 2115 |
a | 10.4079 ± 0.0003 Å |
b | 12.9817 ± 0.0004 Å |
c | 16.6774 ± 0.0005 Å |
α | 102.085 ± 0.001° |
β | 104.508 ± 0.001° |
γ | 106.14 ± 0.001° |
Cell volume | 1998.96 ± 0.11 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0268 |
Residual factor for significantly intense reflections | 0.0244 |
Weighted residual factors for significantly intense reflections | 0.0619 |
Weighted residual factors for all reflections included in the refinement | 0.0629 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4105659.html
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