Information card for entry 4060044

Structure parameters

• Formula: C24 H32 Cl4 N2 O4 Ti
• Calculated formula: C24 H32 Cl4 N2 O4 Ti
• SMILES: [Ti]123(Oc4c(Cl)cc(Cl)cc4C[N]3(C)CC[N]2(C)Cc2cc(Cl)cc(Cl)c2O1)(OCCC)OCCC
• Title of publication: Zirconium and Titanium Diamine Bis(phenolate) Catalysts for -Olefin Polymerization: From Atactic Oligo(1-hexene) to Ultrahigh-Molecular-Weight Isotactic Poly(1-hexene)
• Authors of publication: Sharon Segal; Israel Goldberg; Moshe Kol
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 200 - 202
• a: 9.41 ± 0.0002 Å
• b: 12.665 ± 0.0003 Å
• c: 23.347 ± 0.0005 Å
• α: 90°
• β: 94.01 ± 0.0014°
• γ: 90°
• Cell volume: 2775.63 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0792
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No