Information card for entry 4118214

Structure parameters

• Formula: C27 H26.94 Br0.03 F12 N O3 W
• Calculated formula: C27 H26 Br0.03 F12 N O3 W
• Title of publication: A New ONO3-Trianionic Pincer-Type Ligand for Generating Highly Nucleophilic Metal-Carbon Multiple Bonds
• Authors of publication: Matthew E. O'Reilly; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 11185 - 11195
• a: 8.5483 ± 0.0003 Å
• b: 9.4574 ± 0.0003 Å
• c: 19.5076 ± 0.0006 Å
• α: 86.891 ± 0.002°
• β: 82.183 ± 0.002°
• γ: 70.699 ± 0.002°
• Cell volume: 1474.54 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No