Information card for entry 4319499

Structure parameters

• Common name: [Fe4(HPTB)2(OH)4(F)2](ClO4)4*CH3CN*C2H5OC2H5*H2O
• Chemical name: bis(mu-Fluoro)-bis(mu-N,N,N',N'-tetrakis(2-benzimidazolylmethyl)-2-hydroxy- 1,3-diaminopropane)-tetrahydroxo-tetra-iron(iii) tetraperchlorate acetonitrile diethyl ether solvate monohydrate
• Formula: C76 H85 Cl4 F2 Fe4 N21 O24
• Calculated formula: C76 H70 Cl4 F2 Fe4 N21 O24
• Title of publication: Syntheses and Structural Characterization of Dinuclear and Tetranuclear Iron(III) Complexes with Dinucleating Ligands and Their Reactions with Hydrogen Peroxide
• Authors of publication: Lars Westerheide; Felizitas K. Müller; Roberto Than; Bernt Krebs; Jens Dietrich; Siegfried Schindler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1951 - 1961
• a: 14.62 ± 0.003 Å
• b: 14.851 ± 0.003 Å
• c: 22.141 ± 0.004 Å
• α: 84.49 ± 0.03°
• β: 79.66 ± 0.03°
• γ: 88.32 ± 0.03°
• Cell volume: 4707 ± 1.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1618
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No