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Information card for entry 4081350
Preview
| Coordinates | 4081350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 Fe N2 O4 |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288073 (current) | 2023-12-06 | cif/ Changed data name '_atom_site_refinement_flag' to '_atom_site_refinement_flags' in entries 1512202, 1512203, 4081350, 4510731, 4510733. |
4081350.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4081350.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4081350.cif |
| 89212 | 2013-10-09 | cif/ Adding structures of 4081349, 4081350, 4081351, 4081352 via cif-deposit CGI script. |
4081350.cif |
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