Information card for entry 4089124

Structure parameters

• Formula: C22 H31 B Br4 Ga P
• Calculated formula: C22 H31 B Br4 Ga P
• SMILES: c12c3c(cccc3ccc1)B(C1CCCCC1)[P+]2(C(C)C)C(C)C.[Ga](Br)([Br-])(Br)Br
• 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: 7.8267 ± 0.0005 Å
• b: 19.0575 ± 0.0013 Å
• c: 17.7639 ± 0.0014 Å
• α: 90°
• β: 96.243 ± 0.003°
• γ: 90°
• Cell volume: 2633.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No