Information card for entry 4086670

Structure parameters

• Formula: C38 H68 N2 O Si2 Ti2
• Calculated formula: C38 H68 N2 O Si2 Ti2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ti]1672345C[Si](CC2=[N](C(C)(C)C)[Ti]34582([c]2([c]3([c]4([c]5([c]82C)C)C)C)C)(C[Si](CC1=[N]6C(C)(C)C)(C)C)O7)(C)C)C)C)C)C
• Title of publication: C‒H Activation on an Oxo-Bridged Dititanium Complex: From Alkyl to μ-Alkylidene Functionalities
• Authors of publication: González-Pérez, Juan I.; Martín, Avelino; Mena, Miguel; Santamaría, Cristina
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 15
• Pages of publication: 2488
• a: 10.9703 ± 0.001 Å
• b: 11.264 ± 0.0017 Å
• c: 18.925 ± 0.004 Å
• α: 86.695 ± 0.014°
• β: 78.181 ± 0.012°
• γ: 63.879 ± 0.011°
• Cell volume: 2053.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No