Information card for entry 4302018

Structure parameters

• Formula: C73.5 H70 Fe2 N6 O
• Calculated formula: C73.5 H70 Fe2 N6 O
• Title of publication: Synthesis and Characterization of Iron Derivatives Having a Pyridine-Linked Bis(anilide) Pincer Ligand
• Authors of publication: Edward C. Weintrob; Daniel Tofan; John E. Bercaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3808 - 3813
• a: 19.8707 ± 0.0009 Å
• b: 39.4031 ± 0.0019 Å
• c: 15.1038 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11825.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No