Information card for entry 4339330

Structure parameters

• Common name: [Fe2(O2Cbiph)4(py)2]CH2Cl2
• Formula: C63 H48 Cl2 Fe2 N2 O8
• Calculated formula: C63 H48 Cl2 Fe2 N2 O8
• 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: 24.96 ± 0.007 Å
• b: 10.012 ± 0.003 Å
• c: 21.217 ± 0.006 Å
• α: 90°
• β: 92.282 ± 0.005°
• γ: 90°
• Cell volume: 5298 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No