Information card for entry 4089121

Structure parameters

• Formula: C22 H34 B Cl4 Ga N P
• Calculated formula: C22 H34 B Cl4 Ga N P
• SMILES: c12c3c(cccc3ccc1)B(N(C(C)C)C(C)C)[P+]2(C(C)C)C(C)C.[Ga](Cl)([Cl-])(Cl)Cl
• Title of publication: Amino and Alkyl B-Substituted P-Stabilized Borenium Salts
• Authors of publication: Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 21
• Pages of publication: 3788
• a: 14.3961 ± 0.0006 Å
• b: 16.8578 ± 0.0008 Å
• c: 22.5345 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5468.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No