Information card for entry 4319495

Structure parameters

• Common name: [Fe2(HPTB)(OCH3)(ONO2)2](NO3)2*4.5CH3OH
• Chemical name: (mu-N,N,N',N'-tetrakis(2-benzimidazolylmethyl)-2-hydroxy-1,3-diaminopropane) -(mu-methoxo)-bis(nitrato-O)di-iron(iii) dinitrate penta methanol solvent
• Formula: C40.5 H54 Fe2 N14 O18.5
• Calculated formula: C40.5 H54 Fe2 N14 O18.5
• 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: 12.435 ± 0.002 Å
• b: 15.383 ± 0.003 Å
• c: 16.053 ± 0.003 Å
• α: 65.95 ± 0.03°
• β: 72.08 ± 0.03°
• γ: 74.22 ± 0.03°
• Cell volume: 2629.9 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No