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Information card for entry 4081498
Preview
Coordinates | 4081498.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H32 Fe N2 |
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Calculated formula | C20 H32 Fe N2 |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)CNC(C)(C)C)[c]1([cH]8[cH]7[cH]6[cH]51)CNC(C)(C)C |
Title of publication | Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis |
Authors of publication | Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5784 |
a | 6.0969 ± 0.0003 Å |
b | 7.449 ± 0.0003 Å |
c | 20.8484 ± 0.0009 Å |
α | 90° |
β | 96.632 ± 0.002° |
γ | 90° |
Cell volume | 940.51 ± 0.07 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0309 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections included in the refinement | 0.0674 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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