Information card for entry 7004690

Structure parameters

• Formula: C3 H10 B Br2 N
• Calculated formula: C3 H10 B Br2 N
• SMILES: [BH]([N](C)(C)C)(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: 11.627 ± 0.005 Å
• b: 10.811 ± 0.005 Å
• c: 6.171 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 775.7 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No