Information card for entry 7025469

Structure parameters

• Formula: C30 H34 B F10 P
• Calculated formula: C30 H34 B F10 P
• SMILES: [PH+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.Fc1c(c(F)c(F)c(F)c1F)[BH-](c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Probing substituent effects on the activation of H(2) by phosphorus and boron frustrated Lewis pairs.
• Authors of publication: Neu, Rebecca C.; Ouyang, Eva Y.; Geier, Stephen J.; Zhao, Xiaoxi; Ramos, Alberto; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 18
• Pages of publication: 4285 - 4294
• a: 9.508 ± 0.002 Å
• b: 16.17 ± 0.004 Å
• c: 19.191 ± 0.004 Å
• α: 90°
• β: 91.518 ± 0.01°
• γ: 90°
• Cell volume: 2949.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1028
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No