Information card for entry 1571206

Structure parameters

• Formula: C34 H59 Cl4 N2 P2 Ti
• Calculated formula: C34 H59 Cl4 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: 16.8812 ± 0.0014 Å
• b: 16.61 ± 0.0011 Å
• c: 15.6315 ± 0.0009 Å
• α: 90°
• β: 111.688 ± 0.003°
• γ: 90°
• Cell volume: 4072.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1489
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No