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Information card for entry 4106254
Preview
Coordinates | 4106254.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H44 B2 F30 N2 O5 Zn |
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Calculated formula | C61 H44 B2 F30 N2 O5 Zn |
SMILES | [NH2]([B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[Zn]12345[O]6CC[O]1CC[O]2CC[O]3CC[N]4(CC6)Cc1c(O5)c(C(C)(C)C)cc(C(C)(C)C)c1 |
Title of publication | Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity |
Authors of publication | Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 9069 - 9087 |
a | 12.4887 ± 0.0004 Å |
b | 14.478 ± 0.0005 Å |
c | 18.9052 ± 0.0006 Å |
α | 78.553 ± 0.002° |
β | 80.038 ± 0.002° |
γ | 70.356 ± 0.002° |
Cell volume | 3134.31 ± 0.18 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 | 0.0839 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1297 |
Weighted residual factors for all reflections included in the refinement | 0.1487 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation probe | x-ray |
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/4106254.html
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Users of the data should acknowledge the original authors of the
structural data.