Information card for entry 7007978

Structure parameters

• Formula: C36 H45 Cl2 F6 Fe N3 O6 S2
• Calculated formula: C36 H45 Cl2 F6 Fe N3 O6 S2
• SMILES: [Fe]12([n]3c(cccc3C(=[N]2c2c(cccc2C(C)C)C(C)C)C)C(=[N]1c1c(cccc1C(C)C)C(C)C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.C(Cl)Cl
• Title of publication: Synthesis of iron(II), manganese(II) cobalt(II) and ruthenium(II) complexes containing tridentate nitrogen ligands and their application in the catalytic oxidation of alkanes.
• Authors of publication: Britovsek, George J. P.; England, Jason; Spitzmesser, Stefan K.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 5
• Pages of publication: 945 - 955
• a: 26.783 ± 0.003 Å
• b: 9.0389 ± 0.0011 Å
• c: 17.712 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4287.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.1045
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No