Information card for entry 7019042

Structure parameters

• Formula: C32 H51 F3 N4 O3 S Ti3
• Calculated formula: C32 H51 F3 N4 O3 S Ti3
• Title of publication: Electrophilic attack on trinuclear titanium imido-nitrido systems
• Authors of publication: Caballo, Jorge; González-Moreiras, Mariano; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 20
• Pages of publication: 6069
• a: 17.02 ± 0.002 Å
• b: 13.6459 ± 0.001 Å
• c: 17.195 ± 0.002 Å
• α: 90°
• β: 115.155 ± 0.01°
• γ: 90°
• Cell volume: 3614.8 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.1142
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No