Information card for entry 4332382

Structure parameters

• Formula: C116 H104 D4 Fe2 N4 O8
• Calculated formula: C116 D96 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: 11.3905 ± 0.001 Å
• b: 14.7167 ± 0.0013 Å
• c: 15.2859 ± 0.0014 Å
• α: 77.822 ± 0.002°
• β: 72.178 ± 0.002°
• γ: 82.189 ± 0.002°
• Cell volume: 2377.5 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.2036
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2018
• Weighted residual factors for all reflections included in the refinement: 0.3071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No