Information card for entry 4113765

Structure parameters

• Formula: C53.5 H39 B2 Cl F24 Fe O2
• Calculated formula: C53.5 H39 B2 Cl F24 Fe O2
• Title of publication: Cationic Terminal Borylenes by Halide Abstraction: Synthesis and Spectroscopic and Structural Characterization of an FeB Double Bond
• Authors of publication: Deborah L. Coombs; Simon Aldridge; Cameron Jones; David J. Willock
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 6356 - 6357
• a: 36.301 ± 0.007 Å
• b: 25.675 ± 0.005 Å
• c: 23.956 ± 0.005 Å
• α: 90°
• β: 93.81 ± 0.03°
• γ: 90°
• Cell volume: 22278 ± 8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1679
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No