Information card for entry 8000086

Structure parameters

• Formula: C31 H39 O10.5 Si5 Ti
• Calculated formula: C31 H39 O10.5 Si5 Ti
• Title of publication: Synthesis and Structures of the First Titanium(IV) Complexes with Cyclic Tetrasiloxide Ligands: Incomplete and Complete Cage Titanosiloxanes
• Authors of publication: Hirotsu, Masakazu; Taruno, Shinsuke; Yoshimura, Takashi; Ueno, Keiji; Unno, Masafumi; Matsumoto, Hideyuki
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 1542
• a: 14.4561 ± 0.0009 Å
• b: 18.171 ± 0.0009 Å
• c: 14.125 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3710.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No