Information card for entry 4319498

Structure parameters

• Common name: [Fe2(5,6-Me2-HPTB)(OH)(NO3)2](NO3)(ClO4)*3.5CH3OH*C2H5OC2H5*0.5H2O
• Chemical name: (mu-N,N,N',N'-tetrakis((5,6-dimethyl)2-benzimidazolylmethyl)-2-hydroxy -1,3-diaminopropane)-(mu-hydroxo)-bis(nitrato-O)-di-iron(iii) nitrate perchlorate tetra methanol diethylether solvate hydrate
• Formula: C50.5 H75 Cl Fe2 N13 O20
• Calculated formula: C50.5 H73 Cl Fe2 N13 O20
• 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: 11.367 ± 0.002 Å
• b: 16.107 ± 0.003 Å
• c: 20.197 ± 0.004 Å
• α: 70.27 ± 0.03°
• β: 76.7 ± 0.03°
• γ: 70.57 ± 0.03°
• Cell volume: 3253.5 ± 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: 0.0977
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No