Information card for entry 7709185

Structure parameters

• Formula: C28 H23 B F9 N3
• Calculated formula: C28 H23 B F9 N3
• SMILES: FC(F)(F)c1[nH+]c(ccc1)[B-](c1nc(ccc1)C(F)(F)F)(c1nc(ccc1)C(F)(F)F)c1ccc(cc1)C(C)(C)C
• Title of publication: Fluorinated tris(pyridyl)borate ligand support on coinage metals.
• Authors of publication: Vanga, Mukundam; Muñoz-Castro, Alvaro; Dias, H. V. Rasika
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 1308 - 1312
• a: 10.44 ± 0.0006 Å
• b: 20.0684 ± 0.0012 Å
• c: 13.0151 ± 0.0008 Å
• α: 90°
• β: 101.246 ± 0.002°
• γ: 90°
• Cell volume: 2674.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No