Information card for entry 7204085

Structure parameters

• Formula: C22 H19 B N2
• Calculated formula: C22 H19 B N2
• SMILES: c1(ccccc1)[B](c1ccccc1)(c1ccccc1)[n]1ccncc1
• Title of publication: The complexation of tetraphenylborate with organic N-heteroaromatic cations
• Authors of publication: Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 2364
• a: 7.1341 ± 0.0009 Å
• b: 15.305 ± 0.002 Å
• c: 15.559 ± 0.002 Å
• α: 90°
• β: 90.138 ± 0.008°
• γ: 90°
• Cell volume: 1698.8 ± 0.4 ų
• Cell temperature: 173 ± 0.2 K
• Ambient diffraction temperature: 173 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No