Information card for entry 7021875

Structure parameters

• Chemical name: [Chlorido-tris(miu~4~-oxido)-pentakis(miu~3~-oxido)-pentadecakis(miu~2~-hapto^1^:hapto^1^- 3,4,5-trimethoxybenzoato)-(miu~2~-hapto^1^:hapto^2^-trimethoxybenzoato)-tris(dimethyl- formamide/aquo)-undeca-iron(III)]diethyl ether-dimethylformamide-water solvate
• Formula: C175.25 H220.85 Cl Fe11 N3.75 O97.05
• Calculated formula: C175.25 H212.25 Cl Fe11 N3.75 O97.05
• Title of publication: Hexanuclear and undecanuclear iron(iii) carboxylates as catalyst precursors for cyclohexane oxidation.
• Authors of publication: Milunovic, Miljan N. M.; Martins, Luísa M D R S; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Krachler, Regina; Trettenhahn, Günter; Turta, Constantin; Shova, Sergiu; Arion, Vladimir B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 40
• Pages of publication: 14388 - 14401
• a: 19.4468 ± 0.0013 Å
• b: 23.6865 ± 0.0016 Å
• c: 25.9226 ± 0.0017 Å
• α: 78.197 ± 0.004°
• β: 87.186 ± 0.004°
• γ: 71.921 ± 0.004°
• Cell volume: 11109.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2336
• Weighted residual factors for all reflections included in the refinement: 0.272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No