Information card for entry 4078558

Structure parameters

• Formula: C49 H81 B F5 Fe2 N6
• Calculated formula: C49 H81 B F5 Fe2 N6
• Title of publication: Dinuclear Iron‒Imido Complexes withN-Heterocyclic Carbene Ligation: Synthesis, Structure, and Redox Reactivity
• Authors of publication: Zhang, Qiang; Xiang, Li; Deng, Liang
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4537
• a: 23.11 ± 0.005 Å
• b: 10.612 ± 0.002 Å
• c: 22.47 ± 0.004 Å
• α: 90°
• β: 107.331 ± 0.003°
• γ: 90°
• Cell volume: 5260.4 ± 1.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No