Information card for entry 7714585

Structure parameters

• Formula: C58 H39 B2 F20 P Si
• Calculated formula: C58 H39 B2 F20 P Si
• SMILES: [P+](C(=C\[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)CC([Si](C)(C)C)B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)\c1ccccc1)(c1c(cccc1)C)(c1c(C)cccc1)c1ccccc1C
• 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: 12.2736 ± 0.0009 Å
• b: 16.0785 ± 0.0011 Å
• c: 27.4383 ± 0.0017 Å
• α: 90°
• β: 96.278 ± 0.004°
• γ: 90°
• Cell volume: 5382.2 ± 0.6 ų
• Cell temperature: 149.99 K
• Ambient diffraction temperature: 149.99 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: 0.098
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No