Information card for entry 7705791

Structure parameters

• Formula: C22 H39 B Cl7 Ga2 N3
• Calculated formula: C22 H39 B Cl7 Ga2 N3
• SMILES: [Ga]([Cl][Ga](Cl)(Cl)Cl)(Cl)(Cl)Cl.B1([N+](=C(N1C(C)C)c1c(cc(cc1C)C)C)C(C)C)N(C(C)C)C(C)C
• 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: 10.5709 ± 0.0004 Å
• b: 11.4698 ± 0.0005 Å
• c: 28.3489 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3437.2 ± 0.2 ų
• Cell temperature: 149.44 K
• Ambient diffraction temperature: 149.44 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: 0.0942
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No