Information card for entry 7019043

Structure parameters

• Formula: C64 H100 F6 Li2 N8 O6 S2 Ti6
• Calculated formula: C64 H100 F6 Li2 N8 O6 S2 Ti6
• 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: 16.296 ± 0.001 Å
• b: 19.247 ± 0.003 Å
• c: 11.924 ± 0.001 Å
• α: 90°
• β: 97.98 ± 0.01°
• γ: 90°
• Cell volume: 3703.7 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No