Information card for entry 7045176

Structure parameters

• Formula: C88 H83 B2 F20 Fe N4 O1.5
• Calculated formula: C88 H83 B2 F20 Fe N4 O1.5
• 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: 11.4405 ± 0.0001 Å
• b: 22.3759 ± 0.0002 Å
• c: 32.0362 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8200.99 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No