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Information card for entry 4313249
Preview
| Coordinates | 4313249.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Fe2(O)(N-MeIm)10](ClO4)4.2THF |
|---|---|
| Formula | C48 H76 Cl4 Fe2 N20 O19 |
| Calculated formula | C48 H76 Cl4 Fe2 N20 O19 |
| SMILES | [Fe](O[Fe]([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)[n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)[n]1cn(cc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O1CCCC1.O1CCCC1 |
| Title of publication | Reaction of (μ-Oxo)diiron(III) Core with CO2 in N-Methylimidazole: Formation of Mono(μ-carboxylato)(μ-oxo)diiron(III) Complexes with N-Methylimidazole as Ligands |
| Authors of publication | Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 1681 - 1687 |
| a | 13.5262 ± 0.0014 Å |
| b | 17.0491 ± 0.0015 Å |
| c | 28.578 ± 0.003 Å |
| α | 90° |
| β | 90.06 ± 0.002° |
| γ | 90° |
| Cell volume | 6590.4 ± 1.1 Å3 |
| Cell temperature | 92 ± 2 K |
| Ambient diffraction temperature | 92 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1126 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1752 |
| Weighted residual factors for all reflections included in the refinement | 0.2088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179188 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/32. |
4313249.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313249.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313249.cif |
| 6318 | 2011-01-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4313249 via cif-deposit CGI script. |
4313249.cif |
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