Information card for entry 4073133

Structure parameters

• Chemical name: trichloro-(h5-dimethylfluorosilylcyclopentadienyl)titanum(IV)
• Formula: C7 H10 Cl3 F Si Ti
• Calculated formula: C7 H10 Cl3 F Si Ti
• SMILES: [Ti]1234(Cl)(Cl)(Cl)[c]5([Si](F)(C)C)[cH]3[cH]2[cH]1[cH]45
• 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: 6.437 ± 0.0003 Å
• b: 12.591 ± 0.0005 Å
• c: 14.983 ± 0.001 Å
• α: 96.361 ± 0.005°
• β: 92.04 ± 0.005°
• γ: 104.006 ± 0.004°
• Cell volume: 1168.54 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No