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Information card for entry 4068516
Preview
Coordinates | 4068516.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H53 F2 N P2 Si Ti |
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Calculated formula | C35.98 H53 F1.98 N P2 Si Ti |
Title of publication | Dehydrofluorination of Hydrofluorocarbons by Titanium Alkylidynes via Sequential C−H/C−F Bond Activation Reactions. A Synthetic, Structural, and Mechanistic Study of 1,2-CH Bond Addition and β-Fluoride Elimination |
Authors of publication | Fout, Alison R.; Scott, Jennifer; Miller, Deanna L.; Bailey, Brad C.; Pink, Maren; Mindiola, Daniel J. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 331 |
a | 10.027 ± 0.002 Å |
b | 11.267 ± 0.003 Å |
c | 16.941 ± 0.004 Å |
α | 99.512 ± 0.004° |
β | 91.907 ± 0.004° |
γ | 99.27 ± 0.004° |
Cell volume | 1859.4 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.079 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.0997 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
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/4068516.html
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