Information card for entry 4102222

Structure parameters

• Formula: C80 H83 B4 Cl16 F Fe2 N2 P4
• Calculated formula: C80 H83 B4 Cl16 F Fe2 N2 P4
• Title of publication: Generation of Cationic Two-Coordinate Group-13 Ligand Systems by Spontaneous Halide Ejection: Remarkably Nucleophile-Resistant (Dimethylamino)borylene Complexes
• Authors of publication: David A. Addy; Glesni A. Pierce; Dragoslav Vidovic; Dibyendu Mallick; Eluvathingal D. Jemmis; Jose M. Goicoechea; Simon Aldridge
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4586 - 4588
• a: 13.6566 ± 0.0001 Å
• b: 14.8733 ± 0.0002 Å
• c: 23.5763 ± 0.0003 Å
• α: 76.5761 ± 0.0005°
• β: 76.9145 ± 0.0005°
• γ: 80.9145 ± 0.0005°
• Cell volume: 4508.87 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections: 0.1459
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No