Information card for entry 4071109

Structure parameters

• Formula: C18 H40 P4 Ti
• Calculated formula: C18 H40 P4 Ti
• SMILES: [Ti]123456([P](CC[P]1(C)C)(C)C)([P](CC[P]2(C)C)(C)C)([cH]1[cH]3[cH]4[cH]5[cH]61)C
• Title of publication: Mono(cyclopentadienyl)titanium(II) Complexes with Hydride, Alkyl, and Tetrahydroborate Ligands: Synthesis, Crystal Structures, and Ethylene Dimerization and Trimerization Catalysis
• Authors of publication: You, Yujian; Girolami, Gregory S.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3172
• a: 13.78 ± 0.004 Å
• b: 17.776 ± 0.006 Å
• c: 18.726 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4587 ± 3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No