Information card for entry 7714593

Structure parameters

• Formula: C65 H53 B2 Cl2 F20 P Si
• Calculated formula: C65 H53 B2 Cl2 F20 P Si
• SMILES: [P+](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)(/C(c1ccccc1)=C/[B](CC([Si](C)(C)C)B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(c(F)c1F)F)(c1c(F)c(c(F)c(F)c1F)F)c1c(F)c(F)c(F)c(F)c1F)c1c(C)cc(cc1C)C.ClCCl
• Title of publication: Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.
• Authors of publication: Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1178 - 1189
• a: 17.9443 ± 0.0016 Å
• b: 14.7942 ± 0.0013 Å
• c: 23.1941 ± 0.0017 Å
• α: 90°
• β: 94.749 ± 0.005°
• γ: 90°
• Cell volume: 6136.2 ± 0.9 ų
• Cell temperature: 150.01 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 7
• 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: 0.1493
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No