Information card for entry 7045177

Structure parameters

• Formula: C55 H46 B2 F20 Fe O P
• Calculated formula: C55 H46 B2 F20 Fe O P
• Title of publication: Frustrated Lewis pairs incorporating the bifunctional Lewis acid 1,1'-fc{B(C₆F₅)₂}₂: reactivity towards small molecules.
• Authors of publication: Tirfoin, Rémi; Gilbert, Jessica; Kelly, Michael J.; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1588 - 1598
• a: 11.8245 ± 0.0004 Å
• b: 13.6477 ± 0.0004 Å
• c: 15.8558 ± 0.0004 Å
• α: 84.214 ± 0.002°
• β: 88.541 ± 0.002°
• γ: 87.111 ± 0.003°
• Cell volume: 2541.96 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0351
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No