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Information card for entry 4324101
Preview
| Coordinates | 4324101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Cl4 N2 O2 |
|---|---|
| Calculated formula | C18 H20 Cl4 N2 O2 |
| SMILES | c1(c(c(CN(CCN(Cc2cc(cc(c2O)Cl)Cl)C)C)cc(c1)Cl)O)Cl |
| Title of publication | Molecular and Electronic Structures of Dinuclear Iron Complexes Incorporating Strongly Electron-Donating Ligands: Implications for the Generation of the One- and Two-Electron Oxidized Forms |
| Authors of publication | Julia B. H. Strautmann; Carl-Georg Freiherr von Richthofen; Gabriele Heinze-Brückner; Serena DeBeer; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Anja Stammler; Hartmut Bögge; Thorsten Glaser |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 155 - 171 |
| a | 24.6578 ± 0.0016 Å |
| b | 9.4218 ± 0.0006 Å |
| c | 8.3806 ± 0.0005 Å |
| α | 90° |
| β | 96.41 ± 0.001° |
| γ | 90° |
| Cell volume | 1934.8 ± 0.2 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0437 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179344 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/41. |
4324101.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324101.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4324101.cif |
| 24392 | 2011-08-23 | ../uploads/cif-deposit/cod/cif Adding structures of 4324101 via cif-deposit CGI script. |
4324101.cif |
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Users of the data should acknowledge the original authors of the
structural data.