Information card for entry 4332384

Structure parameters

• Formula: C120 H116 Cl4 Fe2 N4 O8
• Calculated formula: C120.28 H114.84 Cl4 Fe2 N4 O8
• Title of publication: Mechanistic Studies of the OxidativeN-Dealkylation of a Substrate Tethered to Carboxylate-Bridged Diiron(II) Complexes, [Fe2(μ-O2CArTol)2(O2CArTol)2(N,N-Bn2en)2]
• Authors of publication: Yoon, Sungho; Lippard, Stephen J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5438 - 5446
• a: 13.373 ± 0.002 Å
• b: 14.135 ± 0.002 Å
• c: 16.105 ± 0.003 Å
• α: 68.356 ± 0.002°
• β: 66.365 ± 0.002°
• γ: 79.231 ± 0.003°
• Cell volume: 2589.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No