Information card for entry 7107953

Structure parameters

• Formula: C25 H26 B N3
• Calculated formula: C25 H26 B N3
• SMILES: [B-](c1[nH+]cccc1)(c1ncccc1)(c1ncccc1)c1ccc(cc1)C(C)(C)C
• Title of publication: The elusive tripodal tris(2-pyridyl)borate ligand: a strongly coordinating tetraarylborate
• Authors of publication: Chengzhong Cui; Roger A. Lalancette; Frieder Jakle
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6930
• a: 9.5834 ± 0.0002 Å
• b: 13.3508 ± 0.0003 Å
• c: 17.3829 ± 0.0004 Å
• α: 86.769 ± 0.001°
• β: 86.723 ± 0.001°
• γ: 70.469 ± 0.001°
• Cell volume: 2091.03 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No