Information card for entry 4083777

Structure parameters

• Formula: C20 H43 B Fe I N5 Si2
• Calculated formula: C20 H43 B Fe I N5 Si2
• 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: 37.3655 ± 0.001 Å
• b: 11.4117 ± 0.0003 Å
• c: 16.3998 ± 0.0005 Å
• α: 90°
• β: 94.237 ± 0.002°
• γ: 90°
• Cell volume: 6973.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No