Information card for entry 4089209

Structure parameters

• Formula: C51 H33 B2 F20 N2
• Calculated formula: C51 H33 B2 F20 N2
• Title of publication: Intramolecular N→B Coordination as a Stabilizing Scaffold for π-Conjugated Radical Anions with Tunable Redox Potentials
• Authors of publication: Grandl, Markus; Rudolf, Benjamin; Sun, Yu; Bechtel, Dominique F.; Pierik, Antonio J.; Pammer, Frank
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 14
• Pages of publication: 2527
• a: 20.3091 ± 0.0008 Å
• b: 13.8156 ± 0.0004 Å
• c: 33.4191 ± 0.0016 Å
• α: 90°
• β: 105.096 ± 0.004°
• γ: 90°
• Cell volume: 9053.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No