Information card for entry 4336958

Structure parameters

• Formula: C35 H20 B Cl2 F16 N5 O6 S2
• Calculated formula: C35 H20 B Cl2 F16 N5 O6 S2
• SMILES: ClCCl.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.Fc1c([N]2=C(C=C(N(c3c(F)c(F)c(F)c(F)c3F)[B]32[n]2ccccc2c2[n]3c(ccc2)c2ncccc2)C)C)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and Characterization of Terpyridine-Supported Boron Cations: Evidence for Pentacoordination at Boron
• Authors of publication: Gregory P. McGovern; Di Zhu; Adelia J. A. Aquino; Dragoslav Vidović; Michael Findlater
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13865 - 13868
• a: 12.479 ± 0.003 Å
• b: 17.648 ± 0.004 Å
• c: 18.995 ± 0.004 Å
• α: 96.88 ± 0.03°
• β: 98.89 ± 0.03°
• γ: 91.36 ± 0.03°
• Cell volume: 4099.4 ± 1.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.26
• Residual factor for significantly intense reflections: 0.1461
• Weighted residual factors for significantly intense reflections: 0.2966
• Weighted residual factors for all reflections included in the refinement: 0.3258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.469
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No