Information card for entry 4086667

Structure parameters

• Formula: C28 H50 O Si2 Ti2
• Calculated formula: C28 H50 O Si2 Ti2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ti]162345C[Si](C[Ti]2345([c]7([c]5([c]4([c]3([c]27C)C)C)C)C)(C[Si](C1)(C)C)O6)(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: 9.4728 ± 0.001 Å
• b: 9.5535 ± 0.0013 Å
• c: 16.739 ± 0.0014 Å
• α: 90.435 ± 0.01°
• β: 90.748 ± 0.01°
• γ: 95.455 ± 0.012°
• Cell volume: 1507.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No