Information card for entry 1513350

Structure parameters

• Formula: C50 H53.08 Cl10 Fe1.46 Li2 N4 O4
• Calculated formula: C50 H53.0828 Cl10 Fe1.4586 Li2 N4 O4
• Title of publication: Single Component Iron Catalysts for Atom Transfer and Organometallic Mediated Radical Polymerizations: Mechanistic Studies and Reaction Scope
• Authors of publication: Allan, Laura E. N.; MacDonald, Jarret P.; Nichol, Gary S.; Shaver, Michael P.
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1249
• a: 15.1373 ± 0.0002 Å
• b: 19.6216 ± 0.0003 Å
• c: 18.5258 ± 0.0003 Å
• α: 90°
• β: 99.2166 ± 0.0014°
• γ: 90°
• Cell volume: 5431.46 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No