Information card for entry 4309144

Structure parameters

• Formula: C28 H38 Cl4 N2 O4 Ti
• Calculated formula: C28 H38 Cl4 N2 O4 Ti
• SMILES: C1c2c(c(cc(c2)Cl)Cl)O[Ti]23(OC(C)C)([N]1([C@H]1[C@H]([N]2(C)Cc2c(c(cc(c2)Cl)Cl)O3)CCCC1)C)OC(C)C
• Title of publication: Diastereoisomerically Selective Enantiomerically Pure Titanium Complexes of Salan Ligands: Synthesis, Structure, and Preliminary Activity Studies
• Authors of publication: Adi Yeori; Stanislav Groysman; Israel Goldberg; Moshe Kol
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4466 - 4468
• a: 15.106 ± 0.0004 Å
• b: 15.106 ± 0.0004 Å
• c: 13.11 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2991.59 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No