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Information card for entry 4081350
Preview
Coordinates | 4081350.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H30 Fe N2 O4 |
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Calculated formula | C30 H30 Fe N2 O4 |
SMILES | [Fe]1234(C#[O])(C#[O])(=C5N(C(=O)C(=C([O-])N5c5c(cc(cc5C)C)C)C)c5c(cc(cc5C)C)C)[cH]5[cH]1[cH]2[cH]3[cH]45 |
Title of publication | (Cyclopentadienyl)iron(II) Complexes of N-Heterocyclic Carbenes Bearing a Malonate or Imidate Backbone: Synthesis, Structure, and Catalytic Potential in Hydrosilylation |
Authors of publication | César, Vincent; Misal Castro, Luis C.; Dombray, Thomas; Sortais, Jean-Baptiste; Darcel, Christophe; Labat, Stéphane; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Brousses, Rémy; Lugan, Noël; Lavigne, Guy |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 16 |
Pages of publication | 4643 |
a | 9.6895 ± 0.0008 Å |
b | 9.9041 ± 0.0008 Å |
c | 14.4926 ± 0.0012 Å |
α | 109.6 ± 0.003° |
β | 101.558 ± 0.004° |
γ | 96.302 ± 0.003° |
Cell volume | 1259.82 ± 0.18 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0132 |
Residual factor for significantly intense reflections | 0.0132 |
Weighted residual factors for significantly intense reflections | 0.0169 |
Weighted residual factors for all reflections included in the refinement | 0.0169 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 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/4081350.html
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Users of the data should acknowledge the original authors of the
structural data.