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Information card for entry 4081534
Preview
Coordinates | 4081534.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H50 Cl2 F6 Fe N2 Sb |
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Calculated formula | C29 H50 Cl2 F6 Fe N2 Sb |
SMILES | [Fe]12345678(N9[C]1(=[C]2([C]3(=[C]49C(C)(C)C)C)C)C(C)(C)C)N1[C]5(=[C]6([C]7(=[C]81C(C)(C)C)C)C)C(C)(C)C.[Sb](F)(F)(F)(F)(F)[F-].C(Cl)Cl |
Title of publication | Synthesis and Reactivity of Sterically Encumbered Diazaferrocenes |
Authors of publication | Kreye, Markus; Baabe, Dirk; Schweyen, Peter; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Walter, Marc D. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5887 |
a | 10.535 ± 0.0004 Å |
b | 12.3074 ± 0.0005 Å |
c | 14.1764 ± 0.0006 Å |
α | 78.32 ± 0.002° |
β | 76.264 ± 0.002° |
γ | 77.315 ± 0.002° |
Cell volume | 1719.89 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0414 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.056 |
Weighted residual factors for all reflections included in the refinement | 0.0603 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/4081534.html
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Users of the data should acknowledge the original authors of the
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