Information card for entry 1571209

Structure parameters

• Formula: C58 H56 B Cl3 F24 N2 P2 Ti
• Calculated formula: C58 H56 B Cl3 F24 N2 P2 Ti
• Title of publication: Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.
• Authors of publication: Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 5555 - 5563
• a: 18.2372 ± 0.0013 Å
• b: 18.2261 ± 0.001 Å
• c: 19.3593 ± 0.0008 Å
• α: 90°
• β: 90.255 ± 0.003°
• γ: 90°
• Cell volume: 6434.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.103
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No