Information card for entry 7007051

Structure parameters

• Formula: C20 H22 Cl3 Fe N4 O
• Calculated formula: C20 H22 Cl3 Fe N4 O
• SMILES: [Fe]12(Cl)(Cl)(Cl)[n]3c(cccc3)C[N]2(Cc2[n]1cccc2)CCOCc1ncccc1
• 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: 12.004 ± 0.004 Å
• b: 13.4247 ± 0.001 Å
• c: 13.155 ± 0.006 Å
• α: 90°
• β: 92.89 ± 0.003°
• γ: 90°
• Cell volume: 2117.2 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No