Information card for entry 7131857

Structure parameters

• Formula: C27 H49 B F N7 Si Ti
• Calculated formula: C27 H49 B F N7 Si 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: 60.7204 ± 0.0015 Å
• b: 21.7118 ± 0.0006 Å
• c: 10.0607 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13263.5 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No