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Information card for entry 4063798
Preview
Coordinates | 4063798.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H41 B F15 Fe P |
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Calculated formula | C54 H41 B F15 Fe P |
SMILES | [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@H](C)C[C@H]1[P+]([C@@H]([c]29[cH]8[cH]7[cH]6[c]512)/C=C/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)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@@H](C)C[C@@H]1[P+]([C@H]([c]29[cH]8[cH]7[cH]6[c]512)/C=C/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)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework |
Authors of publication | Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 3 |
Pages of publication | 584 |
a | 21.7628 ± 0.0003 Å |
b | 28.5866 ± 0.0006 Å |
c | 19.1647 ± 0.0004 Å |
α | 90° |
β | 109.2 ± 0.002° |
γ | 90° |
Cell volume | 11259.6 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1243 |
Residual factor for significantly intense reflections | 0.0894 |
Weighted residual factors for significantly intense reflections | 0.2113 |
Weighted residual factors for all reflections included in the refinement | 0.2367 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4063798.html
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