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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4313249.html
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Users of the data should acknowledge the original authors of the
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