Information card for entry 4314934

Structure parameters

• Common name: [(tpe)Fe(py)][Li(thf)2(Et2O)2]
• Formula: C62 H83 Fe Li N4 O4
• Calculated formula: C62 H83 Fe Li N4 O4
• Title of publication: Ligand-Centered Redox Activity: Redox Properties of 3d Transition Metal Ions Ligated by the Weak-Field Tris(pyrrolyl)ethane Trianion
• Authors of publication: Graham T. Sazama; Theodore A. Betley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2512 - 2524
• a: 19.4776 ± 0.0012 Å
• b: 15.5448 ± 0.001 Å
• c: 38.314 ± 0.002 Å
• α: 90°
• β: 102.561 ± 0.002°
• γ: 90°
• Cell volume: 11322.9 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.135
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No