Information card for entry 4319497

Structure parameters

• Common name: [Fe2(N-Et-OH-HPTB)(OH)(ONO2)2](NO3)(ClO4)*3CH3OH*1.5H2O
• Chemical name: (mu-N,N,N',N'-tetrakis((N''-2-hydroxoethyl)-2-benzimidazolylmethyl)-2-hydroxy -1,3-diaminopropane)-(mu-hydroxo)-bis(nitrato-O)-di-iron(iii) nitrate perchlorate tris methanol solvent dihydrate
• Formula: C46 H65 Cl Fe2 N13 O23.5
• Calculated formula: C46 H54 Cl Fe2 N13 O23.5
• 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: 14.768 ± 0.003 Å
• b: 15.249 ± 0.003 Å
• c: 16.264 ± 0.003 Å
• α: 69.69 ± 0.03°
• β: 70.56 ± 0.03°
• γ: 70.26 ± 0.03°
• Cell volume: 3135.1 ± 1.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1025
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No