Information card for entry 7041731

Structure parameters

• Formula: C24 H42 O4 Si Ti
• Calculated formula: C24 H42 O4 Si Ti
• SMILES: [Ti]12345678(O[Si](OC)(OC)C)(OC)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Syntheses of Transition Metal Methoxysiloxides
• Authors of publication: Richers, Casseday P.; Bertke, Jeffery A.; Rauchfuss, Thomas
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 20.2846 ± 0.001 Å
• b: 8.6034 ± 0.0004 Å
• c: 28.2397 ± 0.0013 Å
• α: 90°
• β: 92.727 ± 0.0017°
• γ: 90°
• Cell volume: 4922.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No