Information card for entry 7131858

Structure parameters

• Formula: C56 H56 B2 Cl F20 N6 O2 Ti
• Calculated formula: C56 H56 B2 Cl F20 N6 O2 Ti
• Title of publication: A mononuclear, terminal titanium(III) imido.
• Authors of publication: Mohar, Jacob S.; Reinholdt, Anders; Keller, Taylor M.; Carroll, Patrick J.; Telser, Joshua; Mindiola, Daniel J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 9.6595 ± 0.0006 Å
• b: 16.8693 ± 0.001 Å
• c: 19.7287 ± 0.0012 Å
• α: 104.961 ± 0.002°
• β: 92.699 ± 0.002°
• γ: 96.031 ± 0.002°
• Cell volume: 3079.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No