Information card for entry 4113909

Structure parameters

• Formula: C19 H31 Cl2 Fe N2 O
• Calculated formula: C19 H31 Cl2 Fe N2 O
• Title of publication: Design of Highly Active Iron-Based Catalysts for Atom Transfer Radical Polymerization: Tridentate Salicylaldiminato Ligands Affording near Ideal Nernstian Behavior
• Authors of publication: Rachel K. O'Reilly; Vernon C. Gibson; Andrew J. P. White; David J. Williams
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8450 - 8451
• a: 9.838 ± 0.003 Å
• b: 9.458 ± 0.002 Å
• c: 23.703 ± 0.005 Å
• α: 90°
• β: 94.34 ± 0.02°
• γ: 90°
• Cell volume: 2199.2 ± 0.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0962
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections: 0.14
• Weighted residual factors for significantly intense reflections: 0.1163
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No