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Information card for entry 7025475
Preview
Coordinates | 7025475.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H29 B F15 O P |
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Calculated formula | C34 H29 B F15 O P |
SMILES | [BH-](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.[PH+](Oc1c(cccc1C)C)(C(C)(C)C)C(C)(C)C |
Title of publication | Probing substituent effects on the activation of H(2) by phosphorus and boron frustrated Lewis pairs. |
Authors of publication | Neu, Rebecca C.; Ouyang, Eva Y.; Geier, Stephen J.; Zhao, Xiaoxi; Ramos, Alberto; Stephan, Douglas W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 18 |
Pages of publication | 4285 - 4294 |
a | 18.3248 ± 0.0013 Å |
b | 18.6811 ± 0.0013 Å |
c | 19.3253 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6615.6 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0646 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0923 |
Weighted residual factors for all reflections included in the refinement | 0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/7025475.html
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Users of the data should acknowledge the original authors of the
structural data.