Information card for entry 4086668

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([Ti]2345([c]7([c]2([c]3([c]4([c]57C)C)C)C)C)(C[Si](C1)(C)C)O6)[Si](C)(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: 10.1655 ± 0.0015 Å
• b: 19.5607 ± 0.0018 Å
• c: 15.401 ± 0.002 Å
• α: 90°
• β: 90.475 ± 0.011°
• γ: 90°
• Cell volume: 3062.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No