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Information card for entry 7007050
Preview
Coordinates | 7007050.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H50 Cl4 Fe2 N10 O19 |
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Calculated formula | C44 H50 Cl4 Fe2 N10 O19 |
SMILES | [Fe]1234(O[Fe]5678[O](Cc9[n]5cccc9)CC[N]6(Cc5[n]7cccc5)Cc5[n]8cccc5)[O](Cc5[n]1cccc5)CC[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC |
Title of publication | Mono- and binuclear complexes of iron(II) and iron(III) with an N4O ligand: synthesis, structures and catalytic properties in alkane oxidation. |
Authors of publication | Li, Fei; Wang, Mei; Ma, Chengbing; Gao, Aiping; Chen, Hongbo; Sun, Licheng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 20 |
Pages of publication | 2427 - 2434 |
a | 12.6658 ± 0.0005 Å |
b | 12.9257 ± 0.0005 Å |
c | 19.7839 ± 0.0008 Å |
α | 72.835 ± 0.001° |
β | 76.497 ± 0.001° |
γ | 65.272 ± 0.001° |
Cell volume | 2788.19 ± 0.19 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0867 |
Weighted residual factors for significantly intense reflections | 0.1959 |
Weighted residual factors for all reflections included in the refinement | 0.2244 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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