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Information card for entry 4122483
Preview
Coordinates | 4122483.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69.5 H66 B F20 N P Si Zr |
---|---|
Calculated formula | C69.5 H66 B F20 N P Si Zr |
SMILES | [Zr]123456789([P](C(=C1C)[Si](C)(C)C)(c1ccccc1)c1ccccc1)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)([c]1([c]6([c]7([c]8([c]91C)C)C)C)C)C#[N]CCCC.[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)c1c(F)c(F)c(F)c(F)c1F.C1CCCC1 |
Title of publication | Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions. |
Authors of publication | Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 35 |
Pages of publication | 12431 - 12443 |
a | 11.5569 ± 0.0001 Å |
b | 21.2895 ± 0.0004 Å |
c | 29.9729 ± 0.0004 Å |
α | 98.752 ± 0.001° |
β | 93.267 ± 0.001° |
γ | 103.887 ± 0.001° |
Cell volume | 7041.96 ± 0.18 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0643 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.133 |
Weighted residual factors for all reflections included in the refinement | 0.1414 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4122483.html
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Users of the data should acknowledge the original authors of the
structural data.