Information card for entry 4314936

Structure parameters

• Common name: [(tpe)Ni(py)][Li(thf)4]
• Formula: C62 H79 Li N4 Ni O4
• Calculated formula: C62 H79 Li N4 Ni 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: 13.0737 ± 0.0017 Å
• b: 22.273 ± 0.003 Å
• c: 19.323 ± 0.005 Å
• α: 90°
• β: 93.16 ± 0.03°
• γ: 90°
• Cell volume: 5618.1 ± 1.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No