Information card for entry 4318949

Structure parameters

• Formula: C80 H60 Fe4 N4 O20
• Calculated formula: C80 H56 Fe4 N4 O20
• Title of publication: Novel Rectangular [Fe4(μ4-OHO)(μ-OH)2]7+ versus "Butterfly" [Fe4(μ3-O)2]8+ Core Topology in the FeIII/RCO2-/phen Reaction Systems (R = Me, Ph; phen = 1,10-Phenanthroline): Preparation and Properties of [Fe4(OHO)(OH)2(O2CMe)4(phen)4](ClO4)3, [Fe4O2(O2CPh)7(phen)2](ClO4), and [Fe4O2(O2CPh)8(phen)2]
• Authors of publication: Athanassios K. Boudalis; Nikolia Lalioti; Georgios A. Spyroulias; Catherine P. Raptopoulou; Aris Terzis; Azzedine Bousseksou; Vassilis Tangoulis; Jean-Pierre Tuchagues; Spyros P. Perlepes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6474 - 6487
• a: 18.79 ± 0.01 Å
• b: 22.8 ± 0.01 Å
• c: 20.74 ± 0.01 Å
• α: 90°
• β: 113.21 ± 0.02°
• γ: 90°
• Cell volume: 8166 ± 7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections: 0.2105
• Weighted residual factors for significantly intense reflections: 0.1804
• Goodness-of-fit parameter for all reflections: 1.161
• Goodness-of-fit parameter for significantly intense reflections: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No