Information card for entry 7007050

Structure parameters

• Formula: C44 H50 Cl4 Fe2 N10 O19
• 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 ų
• 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