Information card for entry 7705792

Structure parameters

• Formula: C28 H47 B Cl7 Ga2 N3
• Calculated formula: C28 H47 B Cl7 Ga2 N3
• SMILES: B1(N(C(C)C)C(C)C)[N+](=C(N1C1CCCCC1)c1c(C)cc(C)cc1C)C1CCCCC1.[Ga](Cl)(Cl)(Cl)[Cl][Ga](Cl)(Cl)Cl
• Title of publication: Insertion reactions of the C-B-N-substituted borinium cation [MesBNⁱPr₂]<sup/>.
• Authors of publication: Bamford, Karlee L.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17571 - 17577
• a: 9.4798 ± 0.001 Å
• b: 17.8564 ± 0.0018 Å
• c: 22.909 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3877.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No