Information card for entry 4083778

Structure parameters

• Formula: C28 H50 B2 Cl2 Fe N8
• Calculated formula: C28 H50 B2 Cl2 Fe N8
• SMILES: [Fe]1(Cl)(Cl)=C2N([BH2]N3C=1N(C=C3)C(C)(C)C)C=CN2C(C)(C)C.[BH2]([n]1cn(cc1)C(C)(C)C)[n]1cn(cc1)C(C)(C)C
• 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: 18.043 ± 0.0009 Å
• b: 11.9746 ± 0.0006 Å
• c: 16.6649 ± 0.0009 Å
• α: 90°
• β: 94.1444 ± 0.0015°
• γ: 90°
• Cell volume: 3591.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No