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Information card for entry 4063796
Preview
Coordinates | 4063796.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H29 B Cl2 F15 Fe N |
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Calculated formula | C39 H29 B Cl2 F15 Fe N |
SMILES | [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@@H](C)C[C@@H]1[NH+]([C@@H]([c]29[cH]8[cH]7[cH]6[c]512)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)C(C)(C)C.C(Cl)Cl.[Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@H](C)C[C@H]1[NH+]([C@H]([c]29[cH]8[cH]7[cH]6[c]512)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)C(C)(C)C.C(Cl)Cl |
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 | 9.5446 ± 0.0001 Å |
b | 33.945 ± 0.0005 Å |
c | 11.4541 ± 0.0002 Å |
α | 90° |
β | 96.793 ± 0.001° |
γ | 90° |
Cell volume | 3684.98 ± 0.09 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0721 |
Residual factor for significantly intense reflections | 0.0608 |
Weighted residual factors for significantly intense reflections | 0.1628 |
Weighted residual factors for all reflections included in the refinement | 0.1731 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4063796.html
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