Information card for entry 4303224

Structure parameters

• Formula: C28 H33 N O4 Ti
• Calculated formula: C28 H33 N O4 Ti
• SMILES: [Ti]123(OCC[N]3(Cc3c(O1)c(cc(c3)C)C)Cc1c(O2)c(cc(c1)C)C)Oc1c(cccc1C)C
• Title of publication: Synthesis and Structural Analysis of Titanatranes Bearing Terminal Substituted Aryloxo Ligands of the type [Ti(OAr){(O-2,4-Me2C6H2-6-CH2)2(OCH2CH2)N}]n (n= 1, 2): Effect of Aryloxo Substituents in the Ethylene Polymerization
• Authors of publication: Prabhuodeyara M. Gurubasavaraj; Kotohiro Nomura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9491 - 9500
• a: 9.8007 ± 0.0003 Å
• b: 12.0225 ± 0.0005 Å
• c: 21.8908 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2579.37 ± 0.16 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No