Information card for entry 7123011

Structure parameters

• Formula: C68 H94 K2 N10 O2 Ti2
• Calculated formula: C68 H94 K2 N10 O2 Ti2
• Title of publication: Conversion of dinitrogen to tris(trimethylsilyl)amine catalyzed by titanium triamido-amine complexes
• Authors of publication: Okuda, Jun; Spaniol, Thomas Paul; Kögerler, Paul; Ghana, Priyabrata; van Kruechten, Franziska D.; van Leusen, Jan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.9665 ± 0.0004 Å
• b: 13.959 ± 0.0005 Å
• c: 19.5766 ± 0.0006 Å
• α: 90°
• β: 92.472 ± 0.003°
• γ: 90°
• Cell volume: 3267.04 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No