Information card for entry 1568049

Structure parameters

• Chemical name: [Ti(Cp'')2{Si(SiMe3)3}]
• Formula: C31 H69 Si8 Ti
• Calculated formula: C31 H69 Si8 Ti
• Title of publication: Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
• Authors of publication: Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 621 - 634
• a: 10.2297 ± 0.0002 Å
• b: 23.3116 ± 0.0004 Å
• c: 18.6778 ± 0.0004 Å
• α: 90°
• β: 101.213 ± 0.002°
• γ: 90°
• Cell volume: 4369.08 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No