Information card for entry 4339327

Structure parameters

• Common name: [Fe3(O2Cbiph)6(MeCN)4]CH2Cl2
• Formula: C87 H68 Cl2 Fe3 N4 O12
• Calculated formula: C87 H68 Cl2 Fe3 N4 O12
• Title of publication: A planar carboxylate-rich tetraironII complex and its conversion to linear triironII and paddlewheel diironII complexes.
• Authors of publication: Reisner, Erwin; Telser, Joshua; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10754 - 10770
• a: 13.496 ± 0.002 Å
• b: 13.766 ± 0.003 Å
• c: 23.334 ± 0.004 Å
• α: 92.783 ± 0.003°
• β: 102.073 ± 0.003°
• γ: 117.536 ± 0.003°
• Cell volume: 3705.9 ± 1.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No