Information card for entry 4083776

Structure parameters

• Formula: C44 H80 B2 Fe I2 Li2 N8 O4
• Calculated formula: C44 H80 B2 Fe I2 Li2 N8 O4
• Title of publication: Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand
• Authors of publication: Lee, Wei-Tsung; Jeon, Ie-Rang; Xu, Song; Dickie, Diane A.; Smith, Jeremy M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5654
• a: 17.7045 ± 0.0013 Å
• b: 17.6048 ± 0.0013 Å
• c: 17.7357 ± 0.0013 Å
• α: 90°
• β: 100.713 ± 0.005°
• γ: 90°
• Cell volume: 5431.6 ± 0.7 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No