Information card for entry 4315149

Structure parameters

• Formula: C70 H62 Fe2 N12
• Calculated formula: C70 H62 Fe2 N12
• Title of publication: Synthesis of Aryl-Substituted Bis(imino)pyridine Iron Dinitrogen Complexes
• Authors of publication: Sarah K. Russell; Jonathan M. Darmon; Emil Lobkovsky; Paul J. Chirik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2782 - 2792
• a: 12.2166 ± 0.0004 Å
• b: 26.3137 ± 0.001 Å
• c: 20.7303 ± 0.0007 Å
• α: 90°
• β: 103.712 ± 0.002°
• γ: 90°
• Cell volume: 6474.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0786
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1289
• 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