Information card for entry 4119018

Structure parameters

• Common name: [L(Me)Fe]2(u-C10H10N2)
• Formula: C83 H114 Fe2 N8
• Calculated formula: C83 H114 Fe2 N8
• Title of publication: Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes
• Authors of publication: Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 20352 - 20364
• a: 14.676 ± 0.003 Å
• b: 34.656 ± 0.008 Å
• c: 14.788 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7521 ± 3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No