Information card for entry 7717452

Structure parameters

• Chemical name: tetrakis[pentacyclo[9.5.1.1 3,9 .1 5,15 .1 7,13]octasiloxane-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-1-yloxy]titanium(IV)
• Formula: C112 H252 O52 Si32 Ti
• Calculated formula: C112 H252 O52 Si32 Ti
• Title of publication: Titanosiloxanes Consisting of Tetrahedrally Coordinated Ti Cores and Branched Siloxane Cages
• Authors of publication: Saito, Shohei; Kawamura, Kenta; Sato, Naoto; Matsuno, Takamichi; Wada, Hiroaki; Kuroda, Kazuyuki; Shimojima, Atsushi
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 20.4538 ± 0.0007 Å
• b: 21.7114 ± 0.0006 Å
• c: 42.2709 ± 0.0012 Å
• α: 90°
• β: 90.158 ± 0.003°
• γ: 90°
• Cell volume: 18771.6 ± 1 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• 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: 0.2066
• Residual factor for significantly intense reflections: 0.1399
• Weighted residual factors for significantly intense reflections: 0.3672
• Weighted residual factors for all reflections included in the refinement: 0.4126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.325
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No