Information card for entry 4336315

Structure parameters

• Formula: C33 H55 K N4 Si Ti3
• Calculated formula: C33 H55 K N4 Si Ti3
• SMILES: C[Si](C)(C)[N]12[K]3N4[Ti]56789%101([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)N1[Ti]5678%1129([c]2([c]5([c]6([c]7([c]82C)C)C)C)C)[NH]3[Ti]23564%101%11[c]1([c]2([c]3([c]5([c]61C)C)C)C)C
• Title of publication: Reactivity with Electrophiles of Imido Groups Supported on Trinuclear Titanium Systems
• Authors of publication: Jorge Caballo; Mariano González-Moreiras; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11519 - 11529
• a: 10.918 ± 0.009 Å
• b: 16.303 ± 0.008 Å
• c: 22.856 ± 0.011 Å
• α: 90°
• β: 115.38 ± 0.04°
• γ: 90°
• Cell volume: 3676 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1438
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No