Information card for entry 4073134

Structure parameters

• Formula: C35 H50 F20 Si5 Ti5
• Calculated formula: C35 H50 F20 Si5 Ti5
• SMILES: [Ti]12345([c]6([cH]4[cH]3[cH]2[cH]16)[Si](C)(C)F)(F)(F)[F][Ti]12346([F]5)(F)([c]5([cH]1[cH]2[cH]3[cH]45)[Si](C)(C)F)[F][Ti]123457([c]9([Si](C)(C)F)[cH]1[cH]2[cH]3[cH]49)(F)[F][Ti]1234([F]6)([F]5)([c]5([cH]1[cH]2[cH]3[cH]45)[Si](C)(C)F)(F)[F][Ti]1234([F]7)([c]5([Si](C)(C)F)[cH]1[cH]2[cH]3[cH]45)(F)F
• Title of publication: Fluorosilyl-Substituted Cyclopentadienyltitanium(IV) Complexes: Synthesis, Structure, and Styrene Polymerization Behavior#
• Authors of publication: Erben, Milan; Merna, Jan; Hermanová, Soňa; Císařová, Ivana; Padělková, Zdeňka; Dušek, Michal
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2735
• a: 14.0743 ± 0.0001 Å
• b: 26.4287 ± 0.0002 Å
• c: 26.6932 ± 0.0002 Å
• α: 90°
• β: 93.2874 ± 0.0005°
• γ: 90°
• Cell volume: 9912.61 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No