Information card for entry 4318497

Structure parameters

• Formula: C29 H36 N O5 Ta
• Calculated formula: C29 H36 N O5 Ta
• SMILES: [Ta]123([N](Cc4cc(C)cc(C)c4O1)(Cc1c(c(C)cc(C)c1)O2)Cc1cc(C)cc(C)c1O3)(OC)OC
• Title of publication: (RO)2Ta[tris(2-oxy-3,5-dimethylbenzyl)amine]: Structure and Lactide Polymerization Activities
• Authors of publication: Youngjo Kim; Pramesh N. Kapoor; John G. Verkade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4834 - 4838
• a: 22.771 ± 0.005 Å
• b: 9.565 ± 0.002 Å
• c: 26.204 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5707 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No