Information card for entry 4074941

Structure parameters

• Formula: C10 H17 Cl O Ti
• Calculated formula: C10 H17 Cl O Ti
• SMILES: [Ti]12345(Cl)([O](CC[c]61[cH]2[cH]3[cH]4[cH]56)C)(C)C
• Title of publication: New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group
• Authors of publication: Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1448 - 1460
• a: 7.4633 ± 0.0006 Å
• b: 11.2428 ± 0.0009 Å
• c: 13.7705 ± 0.0011 Å
• α: 90°
• β: 103.666 ± 0.002°
• γ: 90°
• Cell volume: 1122.75 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No