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Information card for entry 4082083
Preview
Coordinates | 4082083.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H14 B Cl F15 P |
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Calculated formula | C32 H14 B Cl F15 P |
SMILES | [P+](C[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(CCl)(c1ccccc1)c1ccccc1 |
Title of publication | Reactions of (Diphenylphosphinomethyl)zirconocene Chloride with B(C6F5)3: Competition between P/B and P/Zr+Frustrated Lewis Pair Reactions |
Authors of publication | Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7306 |
a | 11.928 ± 0.0002 Å |
b | 12.0262 ± 0.0002 Å |
c | 12.4657 ± 0.0003 Å |
α | 96.216 ± 0.001° |
β | 107.999 ± 0.001° |
γ | 114.804 ± 0.001° |
Cell volume | 1484.01 ± 0.05 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0697 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1225 |
Weighted residual factors for all reflections included in the refinement | 0.1298 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
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/4082083.html
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Users of the data should acknowledge the original authors of the
structural data.