Information card for entry 7004693

Structure parameters

• Formula: C24 H28 B Br3 N4
• Calculated formula: C24 H28 B Br3 N4
• SMILES: c1cc(cc[n]1[B]([n]1ccc(cc1)C)([n]1ccc(cc1)C)[n]1ccc(cc1)C)C.[Br-].[Br-].[Br-]
• Title of publication: Boron di- and tri-cations
• Authors of publication: Vargas-Baca, Ignacio; Findlater, Michael; Powell, Adam; Vasudevan, Kalyan V.; Cowley, Alan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 6421 - 6426
• a: 17.704 ± 0.004 Å
• b: 17.664 ± 0.004 Å
• c: 18.891 ± 0.004 Å
• α: 90°
• β: 99.6 ± 0.03°
• γ: 90°
• Cell volume: 5825 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No