Information card for entry 4089122

Structure parameters

• Formula: C22 H34 Au B Cl2 N P
• Calculated formula: C22 H34 Au B Cl2 N P
• SMILES: [Au]([P](c1c2c(cccc2ccc1)B(Cl)N(C(C)C)C(C)C)(C(C)C)C(C)C)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: 8.3246 ± 0.0005 Å
• b: 10.9975 ± 0.0006 Å
• c: 14.0449 ± 0.0009 Å
• α: 88.883 ± 0.002°
• β: 81.291 ± 0.003°
• γ: 78.296 ± 0.002°
• Cell volume: 1244.47 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No